USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 160:sc= -2.59! USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.0303 (180deg=-0.501) USER MOD Single : A 23 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.41) USER MOD Single : A 25 SER OG : rot 177:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 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= -0.473 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+ 178:sc= 0 (180deg=-0.00184) USER MOD Single : A 62 SER OG : rot 180:sc= -1.31! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.1!) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0.158 (180deg=0.108) USER MOD Single : A 74 GLN : amide:sc= 0.0279 K(o=0.028,f=-8.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -59:sc= -2.28! USER MOD Single : A 88 THR OG1 : rot -49:sc= 0.318 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 79.466 8.606 3.704 1.00 0.00 N ATOM 229 CA ALA A 15 78.439 8.316 2.668 1.00 0.00 C ATOM 230 C ALA A 15 79.043 7.498 1.524 1.00 0.00 C ATOM 231 O ALA A 15 78.349 6.782 0.829 1.00 0.00 O ATOM 232 CB ALA A 15 77.987 9.687 2.165 1.00 0.00 C ATOM 0 HA ALA A 15 77.610 7.731 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.226 9.559 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.572 10.260 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.841 10.221 1.747 1.00 0.00 H new ATOM 238 N ALA A 16 80.328 7.596 1.316 1.00 0.00 N ATOM 239 CA ALA A 16 80.957 6.819 0.208 1.00 0.00 C ATOM 240 C ALA A 16 81.398 5.442 0.702 1.00 0.00 C ATOM 241 O ALA A 16 81.981 4.666 -0.027 1.00 0.00 O ATOM 242 CB ALA A 16 82.163 7.650 -0.232 1.00 0.00 C ATOM 0 H ALA A 16 80.966 8.176 1.861 1.00 0.00 H new ATOM 0 HA ALA A 16 80.263 6.647 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.678 7.141 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.826 8.629 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.846 7.773 0.608 1.00 0.00 H new ATOM 248 N ARG A 17 81.110 5.130 1.930 1.00 0.00 N ATOM 249 CA ARG A 17 81.492 3.797 2.469 1.00 0.00 C ATOM 250 C ARG A 17 80.255 2.906 2.485 1.00 0.00 C ATOM 251 O ARG A 17 80.330 1.716 2.710 1.00 0.00 O ATOM 252 CB ARG A 17 81.975 4.033 3.908 1.00 0.00 C ATOM 253 CG ARG A 17 82.668 5.394 4.044 1.00 0.00 C ATOM 254 CD ARG A 17 84.179 5.216 3.887 1.00 0.00 C ATOM 255 NE ARG A 17 84.629 4.608 5.169 1.00 0.00 N ATOM 256 CZ ARG A 17 85.565 5.185 5.872 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.349 6.352 6.412 1.00 0.00 N ATOM 258 NH2 ARG A 17 86.718 4.593 6.034 1.00 0.00 N ATOM 0 H ARG A 17 80.625 5.741 2.587 1.00 0.00 H new ATOM 0 HA ARG A 17 82.266 3.319 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.127 3.984 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.665 3.240 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 17 82.292 6.083 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.442 5.833 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.415 4.572 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 17 84.673 6.171 3.708 1.00 0.00 H new ATOM 0 HE ARG A 17 84.206 3.740 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.448 6.814 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 17 86.081 6.803 6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 17 86.886 3.680 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 17 87.450 5.044 6.583 1.00 0.00 H new ATOM 272 N THR A 18 79.111 3.490 2.260 1.00 0.00 N ATOM 273 CA THR A 18 77.852 2.691 2.275 1.00 0.00 C ATOM 274 C THR A 18 76.968 3.037 1.073 1.00 0.00 C ATOM 275 O THR A 18 77.062 4.107 0.505 1.00 0.00 O ATOM 276 CB THR A 18 77.161 3.087 3.583 1.00 0.00 C ATOM 277 OG1 THR A 18 77.986 2.722 4.680 1.00 0.00 O ATOM 278 CG2 THR A 18 75.814 2.373 3.698 1.00 0.00 C ATOM 0 H THR A 18 78.993 4.484 2.067 1.00 0.00 H new ATOM 0 HA THR A 18 78.045 1.620 2.213 1.00 0.00 H new ATOM 0 HB THR A 18 76.995 4.164 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.725 3.238 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.329 2.660 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.180 2.655 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.972 1.295 3.688 1.00 0.00 H new ATOM 286 N LEU A 19 76.103 2.137 0.692 1.00 0.00 N ATOM 287 CA LEU A 19 75.195 2.400 -0.462 1.00 0.00 C ATOM 288 C LEU A 19 73.827 1.767 -0.196 1.00 0.00 C ATOM 289 O LEU A 19 73.694 0.870 0.612 1.00 0.00 O ATOM 290 CB LEU A 19 75.869 1.752 -1.674 1.00 0.00 C ATOM 291 CG LEU A 19 76.274 0.315 -1.341 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.314 -0.658 -2.027 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.698 0.063 -1.840 1.00 0.00 C ATOM 0 H LEU A 19 75.985 1.225 1.133 1.00 0.00 H new ATOM 0 HA LEU A 19 75.032 3.465 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.189 1.759 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.748 2.328 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 19 76.232 0.164 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.603 -1.682 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.299 -0.476 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.356 -0.510 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.990 -0.960 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.737 0.212 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.383 0.757 -1.353 1.00 0.00 H new ATOM 305 N LEU A 20 72.807 2.236 -0.859 1.00 0.00 N ATOM 306 CA LEU A 20 71.444 1.670 -0.630 1.00 0.00 C ATOM 307 C LEU A 20 71.111 0.603 -1.677 1.00 0.00 C ATOM 308 O LEU A 20 71.003 0.888 -2.852 1.00 0.00 O ATOM 309 CB LEU A 20 70.498 2.864 -0.770 1.00 0.00 C ATOM 310 CG LEU A 20 69.103 2.470 -0.281 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.475 1.486 -1.269 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.214 1.810 1.094 1.00 0.00 C ATOM 0 H LEU A 20 72.856 2.986 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 20 71.364 1.185 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.873 3.708 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.453 3.186 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 20 68.478 3.360 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.481 1.205 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.397 1.955 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.099 0.595 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.221 1.529 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.839 0.920 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.662 2.511 1.799 1.00 0.00 H new ATOM 324 N ALA A 21 70.931 -0.621 -1.259 1.00 0.00 N ATOM 325 CA ALA A 21 70.585 -1.693 -2.236 1.00 0.00 C ATOM 326 C ALA A 21 69.105 -1.587 -2.606 1.00 0.00 C ATOM 327 O ALA A 21 68.247 -1.506 -1.748 1.00 0.00 O ATOM 328 CB ALA A 21 70.863 -3.006 -1.502 1.00 0.00 C ATOM 0 H ALA A 21 71.008 -0.924 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 21 71.158 -1.620 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.632 -3.845 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.914 -3.048 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.242 -3.062 -0.608 1.00 0.00 H new ATOM 334 N LYS A 22 68.793 -1.577 -3.872 1.00 0.00 N ATOM 335 CA LYS A 22 67.363 -1.464 -4.278 1.00 0.00 C ATOM 336 C LYS A 22 66.977 -2.616 -5.208 1.00 0.00 C ATOM 337 O LYS A 22 67.795 -3.433 -5.577 1.00 0.00 O ATOM 338 CB LYS A 22 67.264 -0.128 -5.013 1.00 0.00 C ATOM 339 CG LYS A 22 65.797 0.295 -5.112 1.00 0.00 C ATOM 340 CD LYS A 22 65.313 0.128 -6.554 1.00 0.00 C ATOM 341 CE LYS A 22 64.933 1.495 -7.126 1.00 0.00 C ATOM 342 NZ LYS A 22 63.721 1.907 -6.363 1.00 0.00 N ATOM 0 H LYS A 22 69.461 -1.642 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 22 66.690 -1.512 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.838 0.633 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.696 -0.217 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.187 -0.309 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.685 1.333 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.095 -0.327 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.454 -0.543 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.742 2.214 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.725 1.432 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.104 2.479 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.206 1.061 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.006 2.470 -5.536 1.00 0.00 H new ATOM 356 N ASN A 23 65.732 -2.679 -5.589 1.00 0.00 N ATOM 357 CA ASN A 23 65.278 -3.773 -6.498 1.00 0.00 C ATOM 358 C ASN A 23 65.318 -5.118 -5.770 1.00 0.00 C ATOM 359 O ASN A 23 65.220 -6.166 -6.377 1.00 0.00 O ATOM 360 CB ASN A 23 66.269 -3.762 -7.664 1.00 0.00 C ATOM 361 CG ASN A 23 65.593 -4.325 -8.914 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.902 -3.615 -9.618 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.762 -5.581 -9.223 1.00 0.00 N ATOM 0 H ASN A 23 65.006 -2.019 -5.310 1.00 0.00 H new ATOM 0 HA ASN A 23 64.252 -3.627 -6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.615 -2.745 -7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.148 -4.357 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.314 -5.966 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.342 -6.178 -8.633 1.00 0.00 H new ATOM 370 N LEU A 24 65.456 -5.099 -4.474 1.00 0.00 N ATOM 371 CA LEU A 24 65.496 -6.379 -3.711 1.00 0.00 C ATOM 372 C LEU A 24 64.116 -7.042 -3.733 1.00 0.00 C ATOM 373 O LEU A 24 63.121 -6.413 -4.031 1.00 0.00 O ATOM 374 CB LEU A 24 65.879 -5.982 -2.284 1.00 0.00 C ATOM 375 CG LEU A 24 67.195 -6.657 -1.899 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.228 -6.428 -3.002 1.00 0.00 C ATOM 377 CD2 LEU A 24 67.709 -6.060 -0.588 1.00 0.00 C ATOM 0 H LEU A 24 65.543 -4.254 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 24 66.202 -7.093 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.979 -4.899 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.091 -6.276 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 24 67.031 -7.727 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.166 -6.909 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.862 -6.853 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.393 -5.358 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 24 68.648 -6.541 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.873 -4.990 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 24 66.973 -6.223 0.199 1.00 0.00 H new ATOM 389 N SER A 25 64.048 -8.306 -3.420 1.00 0.00 N ATOM 390 CA SER A 25 62.731 -9.002 -3.423 1.00 0.00 C ATOM 391 C SER A 25 62.245 -9.211 -1.989 1.00 0.00 C ATOM 392 O SER A 25 62.783 -8.654 -1.053 1.00 0.00 O ATOM 393 CB SER A 25 62.995 -10.346 -4.101 1.00 0.00 C ATOM 394 OG SER A 25 61.926 -10.640 -4.992 1.00 0.00 O ATOM 0 H SER A 25 64.846 -8.887 -3.163 1.00 0.00 H new ATOM 0 HA SER A 25 61.961 -8.430 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.939 -10.313 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.086 -11.133 -3.352 1.00 0.00 H new ATOM 0 HG SER A 25 62.117 -11.475 -5.468 1.00 0.00 H new ATOM 400 N PHE A 26 61.229 -10.008 -1.808 1.00 0.00 N ATOM 401 CA PHE A 26 60.708 -10.252 -0.442 1.00 0.00 C ATOM 402 C PHE A 26 61.497 -11.381 0.230 1.00 0.00 C ATOM 403 O PHE A 26 61.474 -11.536 1.435 1.00 0.00 O ATOM 404 CB PHE A 26 59.258 -10.665 -0.671 1.00 0.00 C ATOM 405 CG PHE A 26 58.385 -9.434 -0.709 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.641 -8.424 -1.644 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.319 -9.304 0.188 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.829 -7.283 -1.683 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.507 -8.163 0.150 1.00 0.00 C ATOM 410 CZ PHE A 26 56.762 -7.153 -0.786 1.00 0.00 C ATOM 0 H PHE A 26 60.738 -10.501 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 26 60.795 -9.383 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.169 -11.216 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.929 -11.333 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.465 -8.524 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.122 -10.083 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.026 -6.504 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.684 -8.062 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.136 -6.274 -0.816 1.00 0.00 H new ATOM 420 N ASN A 27 62.192 -12.170 -0.543 1.00 0.00 N ATOM 421 CA ASN A 27 62.980 -13.287 0.044 1.00 0.00 C ATOM 422 C ASN A 27 64.402 -12.822 0.369 1.00 0.00 C ATOM 423 O ASN A 27 64.971 -13.195 1.376 1.00 0.00 O ATOM 424 CB ASN A 27 63.002 -14.366 -1.039 1.00 0.00 C ATOM 425 CG ASN A 27 64.034 -15.435 -0.673 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.804 -16.241 0.206 1.00 0.00 O ATOM 427 ND2 ASN A 27 65.170 -15.474 -1.314 1.00 0.00 N ATOM 0 H ASN A 27 62.247 -12.088 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 27 62.547 -13.652 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.015 -14.817 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.248 -13.923 -2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 27 65.865 -16.182 -1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 27 65.363 -14.797 -2.052 1.00 0.00 H new ATOM 434 N ILE A 28 64.981 -12.013 -0.477 1.00 0.00 N ATOM 435 CA ILE A 28 66.367 -11.526 -0.217 1.00 0.00 C ATOM 436 C ILE A 28 66.528 -11.152 1.259 1.00 0.00 C ATOM 437 O ILE A 28 65.561 -11.003 1.979 1.00 0.00 O ATOM 438 CB ILE A 28 66.527 -10.290 -1.100 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.993 -9.851 -1.099 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.656 -9.158 -0.554 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.440 -9.560 -2.532 1.00 0.00 C ATOM 0 H ILE A 28 64.554 -11.668 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 28 67.118 -12.285 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 28 66.218 -10.527 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.117 -8.962 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.617 -10.632 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 28 65.770 -8.275 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.612 -9.471 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 28 65.965 -8.920 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.484 -9.247 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.331 -10.460 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 28 67.824 -8.765 -2.951 1.00 0.00 H new ATOM 453 N THR A 29 67.742 -11.000 1.714 1.00 0.00 N ATOM 454 CA THR A 29 67.957 -10.636 3.145 1.00 0.00 C ATOM 455 C THR A 29 69.401 -10.182 3.370 1.00 0.00 C ATOM 456 O THR A 29 70.254 -10.333 2.515 1.00 0.00 O ATOM 457 CB THR A 29 67.673 -11.920 3.926 1.00 0.00 C ATOM 458 OG1 THR A 29 68.032 -13.043 3.132 1.00 0.00 O ATOM 459 CG2 THR A 29 66.185 -11.992 4.271 1.00 0.00 C ATOM 0 H THR A 29 68.591 -11.111 1.160 1.00 0.00 H new ATOM 0 HA THR A 29 67.315 -9.813 3.460 1.00 0.00 H new ATOM 0 HB THR A 29 68.257 -11.923 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.853 -13.867 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.984 -12.908 4.827 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.910 -11.130 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.598 -11.990 3.353 1.00 0.00 H new ATOM 467 N GLU A 30 69.685 -9.630 4.520 1.00 0.00 N ATOM 468 CA GLU A 30 71.075 -9.173 4.801 1.00 0.00 C ATOM 469 C GLU A 30 72.053 -10.309 4.511 1.00 0.00 C ATOM 470 O GLU A 30 73.158 -10.091 4.055 1.00 0.00 O ATOM 471 CB GLU A 30 71.086 -8.813 6.286 1.00 0.00 C ATOM 472 CG GLU A 30 72.507 -8.432 6.707 1.00 0.00 C ATOM 473 CD GLU A 30 72.576 -8.324 8.232 1.00 0.00 C ATOM 474 OE1 GLU A 30 71.530 -8.367 8.857 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.675 -8.200 8.748 1.00 0.00 O ATOM 0 H GLU A 30 69.016 -9.477 5.274 1.00 0.00 H new ATOM 0 HA GLU A 30 71.372 -8.325 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.404 -7.984 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.733 -9.657 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.216 -9.180 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.791 -7.483 6.251 1.00 0.00 H new ATOM 482 N ASP A 31 71.650 -11.524 4.759 1.00 0.00 N ATOM 483 CA ASP A 31 72.552 -12.677 4.480 1.00 0.00 C ATOM 484 C ASP A 31 72.900 -12.692 2.993 1.00 0.00 C ATOM 485 O ASP A 31 74.052 -12.731 2.610 1.00 0.00 O ATOM 486 CB ASP A 31 71.747 -13.919 4.862 1.00 0.00 C ATOM 487 CG ASP A 31 72.669 -14.943 5.525 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.319 -15.681 4.803 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.711 -14.971 6.744 1.00 0.00 O ATOM 0 H ASP A 31 70.737 -11.769 5.142 1.00 0.00 H new ATOM 0 HA ASP A 31 73.488 -12.627 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.940 -13.647 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.284 -14.352 3.975 1.00 0.00 H new ATOM 494 N GLU A 32 71.904 -12.643 2.155 1.00 0.00 N ATOM 495 CA GLU A 32 72.159 -12.633 0.689 1.00 0.00 C ATOM 496 C GLU A 32 73.013 -11.415 0.339 1.00 0.00 C ATOM 497 O GLU A 32 73.960 -11.493 -0.426 1.00 0.00 O ATOM 498 CB GLU A 32 70.770 -12.534 0.053 1.00 0.00 C ATOM 499 CG GLU A 32 70.889 -12.015 -1.382 1.00 0.00 C ATOM 500 CD GLU A 32 70.988 -10.488 -1.367 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.552 -9.895 -0.395 1.00 0.00 O ATOM 502 OE2 GLU A 32 71.498 -9.938 -2.329 1.00 0.00 O ATOM 0 H GLU A 32 70.921 -12.609 2.423 1.00 0.00 H new ATOM 0 HA GLU A 32 72.695 -13.515 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.289 -13.512 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.139 -11.866 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.769 -12.442 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.024 -12.328 -1.966 1.00 0.00 H new ATOM 509 N LEU A 33 72.700 -10.295 0.920 1.00 0.00 N ATOM 510 CA LEU A 33 73.498 -9.074 0.653 1.00 0.00 C ATOM 511 C LEU A 33 74.865 -9.254 1.295 1.00 0.00 C ATOM 512 O LEU A 33 75.867 -8.772 0.807 1.00 0.00 O ATOM 513 CB LEU A 33 72.728 -7.933 1.318 1.00 0.00 C ATOM 514 CG LEU A 33 71.633 -7.437 0.372 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.282 -7.476 1.088 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.941 -6.000 -0.054 1.00 0.00 C ATOM 0 H LEU A 33 71.923 -10.173 1.570 1.00 0.00 H new ATOM 0 HA LEU A 33 73.644 -8.874 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.287 -8.275 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.407 -7.117 1.565 1.00 0.00 H new ATOM 0 HG LEU A 33 71.596 -8.079 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.502 -7.122 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.061 -8.499 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.318 -6.834 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.161 -5.645 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.978 -5.359 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.903 -5.970 -0.565 1.00 0.00 H new ATOM 528 N LYS A 34 74.910 -9.973 2.383 1.00 0.00 N ATOM 529 CA LYS A 34 76.208 -10.215 3.052 1.00 0.00 C ATOM 530 C LYS A 34 77.021 -11.189 2.207 1.00 0.00 C ATOM 531 O LYS A 34 78.235 -11.212 2.244 1.00 0.00 O ATOM 532 CB LYS A 34 75.859 -10.827 4.409 1.00 0.00 C ATOM 533 CG LYS A 34 77.144 -11.076 5.203 1.00 0.00 C ATOM 534 CD LYS A 34 77.516 -12.557 5.122 1.00 0.00 C ATOM 535 CE LYS A 34 77.994 -13.040 6.494 1.00 0.00 C ATOM 536 NZ LYS A 34 77.097 -14.180 6.833 1.00 0.00 N ATOM 0 H LYS A 34 74.101 -10.401 2.833 1.00 0.00 H new ATOM 0 HA LYS A 34 76.800 -9.308 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.201 -10.158 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.318 -11.763 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.954 -10.465 4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.004 -10.782 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.655 -13.142 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.300 -12.706 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.037 -13.354 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.924 -12.247 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.362 -14.566 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 76.112 -13.849 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.190 -14.922 6.110 1.00 0.00 H new ATOM 550 N GLU A 35 76.342 -11.979 1.431 1.00 0.00 N ATOM 551 CA GLU A 35 77.034 -12.951 0.551 1.00 0.00 C ATOM 552 C GLU A 35 77.462 -12.249 -0.736 1.00 0.00 C ATOM 553 O GLU A 35 78.495 -12.540 -1.304 1.00 0.00 O ATOM 554 CB GLU A 35 75.997 -14.036 0.257 1.00 0.00 C ATOM 555 CG GLU A 35 76.709 -15.325 -0.160 1.00 0.00 C ATOM 556 CD GLU A 35 76.043 -15.893 -1.414 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.845 -15.709 -1.559 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.740 -16.504 -2.207 1.00 0.00 O ATOM 0 H GLU A 35 75.324 -11.992 1.369 1.00 0.00 H new ATOM 0 HA GLU A 35 77.930 -13.371 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.384 -14.216 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.325 -13.706 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.763 -15.125 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.667 -16.054 0.649 1.00 0.00 H new ATOM 565 N VAL A 36 76.678 -11.308 -1.189 1.00 0.00 N ATOM 566 CA VAL A 36 77.043 -10.567 -2.426 1.00 0.00 C ATOM 567 C VAL A 36 78.056 -9.480 -2.073 1.00 0.00 C ATOM 568 O VAL A 36 78.950 -9.174 -2.836 1.00 0.00 O ATOM 569 CB VAL A 36 75.733 -9.947 -2.923 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.037 -8.789 -3.877 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.915 -11.009 -3.661 1.00 0.00 C ATOM 0 H VAL A 36 75.801 -11.022 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 36 77.493 -11.204 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 36 75.166 -9.573 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.102 -8.351 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.619 -8.030 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.606 -9.160 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.983 -10.569 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.486 -11.382 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.693 -11.833 -2.983 1.00 0.00 H new ATOM 581 N PHE A 37 77.918 -8.895 -0.914 1.00 0.00 N ATOM 582 CA PHE A 37 78.861 -7.833 -0.500 1.00 0.00 C ATOM 583 C PHE A 37 79.779 -8.346 0.613 1.00 0.00 C ATOM 584 O PHE A 37 79.956 -7.706 1.631 1.00 0.00 O ATOM 585 CB PHE A 37 77.963 -6.715 0.018 1.00 0.00 C ATOM 586 CG PHE A 37 77.377 -5.957 -1.147 1.00 0.00 C ATOM 587 CD1 PHE A 37 78.219 -5.405 -2.119 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.989 -5.810 -1.257 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.673 -4.705 -3.201 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.444 -5.109 -2.339 1.00 0.00 C ATOM 591 CZ PHE A 37 76.285 -4.556 -3.311 1.00 0.00 C ATOM 0 H PHE A 37 77.187 -9.113 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 37 79.508 -7.503 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.165 -7.131 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.536 -6.040 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 37 79.290 -5.519 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.339 -6.237 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 37 78.323 -4.279 -3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.373 -4.995 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 37 75.864 -4.015 -4.145 1.00 0.00 H new ATOM 601 N GLU A 38 80.362 -9.500 0.430 1.00 0.00 N ATOM 602 CA GLU A 38 81.264 -10.055 1.481 1.00 0.00 C ATOM 603 C GLU A 38 82.441 -9.107 1.731 1.00 0.00 C ATOM 604 O GLU A 38 83.167 -9.247 2.694 1.00 0.00 O ATOM 605 CB GLU A 38 81.759 -11.386 0.912 1.00 0.00 C ATOM 606 CG GLU A 38 82.768 -11.120 -0.206 1.00 0.00 C ATOM 607 CD GLU A 38 82.355 -11.894 -1.460 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.258 -13.106 -1.378 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.143 -11.259 -2.481 1.00 0.00 O ATOM 0 H GLU A 38 80.253 -10.082 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 38 80.754 -10.181 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.222 -11.981 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.919 -11.964 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.814 -10.053 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.766 -11.424 0.110 1.00 0.00 H new ATOM 616 N ASP A 39 82.635 -8.144 0.872 1.00 0.00 N ATOM 617 CA ASP A 39 83.765 -7.192 1.066 1.00 0.00 C ATOM 618 C ASP A 39 83.320 -6.006 1.926 1.00 0.00 C ATOM 619 O ASP A 39 84.126 -5.210 2.365 1.00 0.00 O ATOM 620 CB ASP A 39 84.133 -6.724 -0.343 1.00 0.00 C ATOM 621 CG ASP A 39 85.610 -6.326 -0.379 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.193 -6.193 0.685 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.132 -6.160 -1.469 1.00 0.00 O ATOM 0 H ASP A 39 82.061 -7.975 0.046 1.00 0.00 H new ATOM 0 HA ASP A 39 84.610 -7.654 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.942 -7.519 -1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.510 -5.877 -0.631 1.00 0.00 H new ATOM 628 N ALA A 40 82.044 -5.881 2.169 1.00 0.00 N ATOM 629 CA ALA A 40 81.556 -4.743 3.000 1.00 0.00 C ATOM 630 C ALA A 40 81.436 -5.169 4.467 1.00 0.00 C ATOM 631 O ALA A 40 81.634 -6.317 4.808 1.00 0.00 O ATOM 632 CB ALA A 40 80.181 -4.396 2.427 1.00 0.00 C ATOM 0 H ALA A 40 81.320 -6.515 1.830 1.00 0.00 H new ATOM 0 HA ALA A 40 82.236 -3.891 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.753 -3.564 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.284 -4.114 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.525 -5.263 2.506 1.00 0.00 H new ATOM 638 N LEU A 41 81.113 -4.249 5.337 1.00 0.00 N ATOM 639 CA LEU A 41 80.982 -4.595 6.775 1.00 0.00 C ATOM 640 C LEU A 41 79.653 -5.303 7.027 1.00 0.00 C ATOM 641 O LEU A 41 79.589 -6.302 7.715 1.00 0.00 O ATOM 642 CB LEU A 41 81.010 -3.257 7.512 1.00 0.00 C ATOM 643 CG LEU A 41 82.235 -2.456 7.078 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.051 -0.992 7.484 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.479 -3.024 7.762 1.00 0.00 C ATOM 0 H LEU A 41 80.935 -3.271 5.109 1.00 0.00 H new ATOM 0 HA LEU A 41 81.775 -5.265 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.101 -2.694 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.036 -3.424 8.589 1.00 0.00 H new ATOM 0 HG LEU A 41 82.353 -2.522 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.924 -0.416 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.161 -0.589 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.937 -0.926 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.356 -2.454 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.363 -2.955 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.606 -4.068 7.477 1.00 0.00 H new ATOM 657 N GLU A 42 78.589 -4.785 6.482 1.00 0.00 N ATOM 658 CA GLU A 42 77.261 -5.423 6.700 1.00 0.00 C ATOM 659 C GLU A 42 76.175 -4.697 5.901 1.00 0.00 C ATOM 660 O GLU A 42 76.368 -3.596 5.420 1.00 0.00 O ATOM 661 CB GLU A 42 77.009 -5.289 8.203 1.00 0.00 C ATOM 662 CG GLU A 42 76.607 -3.848 8.532 1.00 0.00 C ATOM 663 CD GLU A 42 76.937 -3.546 9.995 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.554 -4.335 10.843 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.567 -2.531 10.241 1.00 0.00 O ATOM 0 H GLU A 42 78.581 -3.950 5.897 1.00 0.00 H new ATOM 0 HA GLU A 42 77.242 -6.462 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.221 -5.976 8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.907 -5.562 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.135 -3.154 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.541 -3.707 8.352 1.00 0.00 H new ATOM 672 N ILE A 43 75.033 -5.312 5.760 1.00 0.00 N ATOM 673 CA ILE A 43 73.927 -4.669 4.997 1.00 0.00 C ATOM 674 C ILE A 43 72.660 -4.606 5.854 1.00 0.00 C ATOM 675 O ILE A 43 72.468 -5.387 6.764 1.00 0.00 O ATOM 676 CB ILE A 43 73.706 -5.569 3.780 1.00 0.00 C ATOM 677 CG1 ILE A 43 74.801 -5.301 2.744 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.339 -5.272 3.159 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.520 -6.608 2.408 1.00 0.00 C ATOM 0 H ILE A 43 74.818 -6.233 6.141 1.00 0.00 H new ATOM 0 HA ILE A 43 74.167 -3.646 4.708 1.00 0.00 H new ATOM 0 HB ILE A 43 73.742 -6.613 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.365 -4.872 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.512 -4.572 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.186 -5.915 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.557 -5.461 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.300 -4.228 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.299 -6.415 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.970 -7.019 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.804 -7.323 2.002 1.00 0.00 H new ATOM 691 N ARG A 44 71.797 -3.677 5.560 1.00 0.00 N ATOM 692 CA ARG A 44 70.538 -3.542 6.337 1.00 0.00 C ATOM 693 C ARG A 44 69.334 -3.724 5.407 1.00 0.00 C ATOM 694 O ARG A 44 69.408 -3.454 4.224 1.00 0.00 O ATOM 695 CB ARG A 44 70.588 -2.121 6.897 1.00 0.00 C ATOM 696 CG ARG A 44 71.048 -2.166 8.354 1.00 0.00 C ATOM 697 CD ARG A 44 69.828 -2.138 9.277 1.00 0.00 C ATOM 698 NE ARG A 44 70.252 -2.879 10.498 1.00 0.00 N ATOM 699 CZ ARG A 44 70.129 -2.326 11.673 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.954 -1.944 12.094 1.00 0.00 N ATOM 701 NH2 ARG A 44 71.180 -2.155 12.427 1.00 0.00 N ATOM 0 H ARG A 44 71.912 -2.999 4.807 1.00 0.00 H new ATOM 0 HA ARG A 44 70.440 -4.287 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.271 -1.510 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.604 -1.656 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.632 -3.068 8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.698 -1.317 8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.538 -1.115 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 44 68.966 -2.612 8.807 1.00 0.00 H new ATOM 0 HE ARG A 44 70.639 -3.819 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.133 -2.078 11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.857 -1.512 13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 44 72.098 -2.454 12.098 1.00 0.00 H new ATOM 0 HH22 ARG A 44 71.084 -1.723 13.346 1.00 0.00 H new ATOM 715 N LEU A 45 68.230 -4.186 5.926 1.00 0.00 N ATOM 716 CA LEU A 45 67.029 -4.392 5.066 1.00 0.00 C ATOM 717 C LEU A 45 66.147 -3.145 5.085 1.00 0.00 C ATOM 718 O LEU A 45 66.126 -2.404 6.048 1.00 0.00 O ATOM 719 CB LEU A 45 66.296 -5.582 5.691 1.00 0.00 C ATOM 720 CG LEU A 45 65.198 -6.072 4.744 1.00 0.00 C ATOM 721 CD1 LEU A 45 64.039 -5.074 4.743 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.761 -6.199 3.327 1.00 0.00 C ATOM 0 H LEU A 45 68.107 -4.430 6.909 1.00 0.00 H new ATOM 0 HA LEU A 45 67.291 -4.577 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.000 -6.389 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.861 -5.291 6.647 1.00 0.00 H new ATOM 0 HG LEU A 45 64.840 -7.045 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 45 63.258 -5.424 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 45 63.635 -4.985 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.397 -4.100 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.978 -6.548 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.122 -5.227 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.585 -6.912 3.325 1.00 0.00 H new ATOM 734 N VAL A 46 65.419 -2.903 4.030 1.00 0.00 N ATOM 735 CA VAL A 46 64.546 -1.699 3.999 1.00 0.00 C ATOM 736 C VAL A 46 63.317 -1.938 3.113 1.00 0.00 C ATOM 737 O VAL A 46 63.415 -2.403 1.982 1.00 0.00 O ATOM 738 CB VAL A 46 65.423 -0.588 3.431 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.642 0.725 3.434 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.674 -0.446 4.298 1.00 0.00 C ATOM 0 H VAL A 46 65.391 -3.484 3.192 1.00 0.00 H new ATOM 0 HA VAL A 46 64.162 -1.447 4.988 1.00 0.00 H new ATOM 0 HB VAL A 46 65.714 -0.831 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.267 1.521 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.747 0.618 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.354 0.975 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.306 0.347 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.383 -0.198 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.226 -1.386 4.297 1.00 0.00 H new ATOM 750 N SER A 47 62.161 -1.621 3.636 1.00 0.00 N ATOM 751 CA SER A 47 60.898 -1.817 2.873 1.00 0.00 C ATOM 752 C SER A 47 60.121 -0.501 2.780 1.00 0.00 C ATOM 753 O SER A 47 60.691 0.571 2.789 1.00 0.00 O ATOM 754 CB SER A 47 60.109 -2.841 3.685 1.00 0.00 C ATOM 755 OG SER A 47 60.983 -3.504 4.590 1.00 0.00 O ATOM 0 H SER A 47 62.040 -1.230 4.570 1.00 0.00 H new ATOM 0 HA SER A 47 61.081 -2.150 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.307 -2.346 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.640 -3.565 3.019 1.00 0.00 H new ATOM 0 HG SER A 47 60.476 -4.160 5.113 1.00 0.00 H new ATOM 819 N SER A 52 57.876 -5.427 2.798 1.00 0.00 N ATOM 820 CA SER A 52 59.091 -5.538 1.942 1.00 0.00 C ATOM 821 C SER A 52 58.972 -4.628 0.722 1.00 0.00 C ATOM 822 O SER A 52 57.998 -4.664 -0.003 1.00 0.00 O ATOM 823 CB SER A 52 59.139 -6.995 1.512 1.00 0.00 C ATOM 824 OG SER A 52 60.492 -7.428 1.460 1.00 0.00 O ATOM 0 HA SER A 52 59.993 -5.236 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.575 -7.611 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.670 -7.113 0.535 1.00 0.00 H new ATOM 0 HG SER A 52 60.621 -8.174 2.082 1.00 0.00 H new ATOM 830 N LYS A 53 59.961 -3.817 0.491 1.00 0.00 N ATOM 831 CA LYS A 53 59.918 -2.901 -0.683 1.00 0.00 C ATOM 832 C LYS A 53 61.077 -3.223 -1.621 1.00 0.00 C ATOM 833 O LYS A 53 61.101 -2.813 -2.764 1.00 0.00 O ATOM 834 CB LYS A 53 60.068 -1.495 -0.103 1.00 0.00 C ATOM 835 CG LYS A 53 59.732 -0.460 -1.178 1.00 0.00 C ATOM 836 CD LYS A 53 59.575 0.917 -0.531 1.00 0.00 C ATOM 837 CE LYS A 53 60.265 1.971 -1.400 1.00 0.00 C ATOM 838 NZ LYS A 53 59.195 2.489 -2.297 1.00 0.00 N ATOM 0 H LYS A 53 60.801 -3.747 1.065 1.00 0.00 H new ATOM 0 HA LYS A 53 58.997 -2.999 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.407 -1.372 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.086 -1.345 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.521 -0.432 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.812 -0.739 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.518 1.159 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.010 0.913 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.690 2.769 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 53 61.084 1.536 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.591 3.218 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.814 1.709 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.432 2.903 -1.724 1.00 0.00 H new ATOM 852 N GLY A 54 62.036 -3.962 -1.141 1.00 0.00 N ATOM 853 CA GLY A 54 63.194 -4.320 -1.996 1.00 0.00 C ATOM 854 C GLY A 54 64.335 -3.331 -1.763 1.00 0.00 C ATOM 855 O GLY A 54 65.119 -3.061 -2.651 1.00 0.00 O ATOM 0 H GLY A 54 62.066 -4.333 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.526 -5.333 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.900 -4.309 -3.046 1.00 0.00 H new ATOM 859 N ILE A 55 64.448 -2.785 -0.580 1.00 0.00 N ATOM 860 CA ILE A 55 65.556 -1.824 -0.327 1.00 0.00 C ATOM 861 C ILE A 55 66.429 -2.337 0.818 1.00 0.00 C ATOM 862 O ILE A 55 65.969 -3.051 1.685 1.00 0.00 O ATOM 863 CB ILE A 55 64.869 -0.511 0.047 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.703 -0.252 -0.910 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.874 0.636 -0.061 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.237 -0.084 -2.334 1.00 0.00 C ATOM 0 H ILE A 55 63.829 -2.961 0.211 1.00 0.00 H new ATOM 0 HA ILE A 55 66.209 -1.696 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 55 64.494 -0.577 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.996 -1.081 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.161 0.644 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.386 1.574 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.707 0.455 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.246 0.698 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.406 0.100 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.927 0.759 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.759 -0.992 -2.636 1.00 0.00 H new ATOM 878 N ALA A 56 67.686 -1.987 0.831 1.00 0.00 N ATOM 879 CA ALA A 56 68.574 -2.466 1.927 1.00 0.00 C ATOM 880 C ALA A 56 69.816 -1.582 2.025 1.00 0.00 C ATOM 881 O ALA A 56 70.410 -1.220 1.030 1.00 0.00 O ATOM 882 CB ALA A 56 68.960 -3.892 1.529 1.00 0.00 C ATOM 0 H ALA A 56 68.135 -1.393 0.134 1.00 0.00 H new ATOM 0 HA ALA A 56 68.084 -2.433 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.616 -4.317 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.061 -4.502 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.478 -3.875 0.570 1.00 0.00 H new ATOM 888 N TYR A 57 70.215 -1.234 3.215 1.00 0.00 N ATOM 889 CA TYR A 57 71.423 -0.377 3.368 1.00 0.00 C ATOM 890 C TYR A 57 72.679 -1.246 3.308 1.00 0.00 C ATOM 891 O TYR A 57 72.694 -2.361 3.778 1.00 0.00 O ATOM 892 CB TYR A 57 71.280 0.274 4.743 1.00 0.00 C ATOM 893 CG TYR A 57 70.962 1.741 4.573 1.00 0.00 C ATOM 894 CD1 TYR A 57 69.747 2.130 3.998 1.00 0.00 C ATOM 895 CD2 TYR A 57 71.882 2.710 4.990 1.00 0.00 C ATOM 896 CE1 TYR A 57 69.452 3.490 3.840 1.00 0.00 C ATOM 897 CE2 TYR A 57 71.587 4.069 4.832 1.00 0.00 C ATOM 898 CZ TYR A 57 70.371 4.459 4.257 1.00 0.00 C ATOM 899 OH TYR A 57 70.080 5.799 4.100 1.00 0.00 O ATOM 0 H TYR A 57 69.759 -1.505 4.086 1.00 0.00 H new ATOM 0 HA TYR A 57 71.510 0.370 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.489 -0.218 5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.202 0.154 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 57 69.037 1.382 3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 57 72.820 2.409 5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 57 68.515 3.791 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 57 72.297 4.817 5.153 1.00 0.00 H new ATOM 0 HH TYR A 57 70.824 6.338 4.442 1.00 0.00 H new ATOM 909 N ILE A 58 73.732 -0.751 2.728 1.00 0.00 N ATOM 910 CA ILE A 58 74.974 -1.566 2.642 1.00 0.00 C ATOM 911 C ILE A 58 76.187 -0.708 3.002 1.00 0.00 C ATOM 912 O ILE A 58 76.483 0.272 2.347 1.00 0.00 O ATOM 913 CB ILE A 58 75.035 -2.028 1.187 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.672 -2.606 0.790 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.112 -3.102 1.036 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.805 -3.418 -0.501 1.00 0.00 C ATOM 0 H ILE A 58 73.788 0.178 2.311 1.00 0.00 H new ATOM 0 HA ILE A 58 74.975 -2.410 3.332 1.00 0.00 H new ATOM 0 HB ILE A 58 75.279 -1.184 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.289 -3.239 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.952 -1.799 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.155 -3.431 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.079 -2.691 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.871 -3.951 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.832 -3.825 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.168 -2.773 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.510 -4.235 -0.346 1.00 0.00 H new ATOM 928 N GLU A 59 76.887 -1.065 4.043 1.00 0.00 N ATOM 929 CA GLU A 59 78.078 -0.263 4.450 1.00 0.00 C ATOM 930 C GLU A 59 79.354 -1.091 4.286 1.00 0.00 C ATOM 931 O GLU A 59 79.438 -2.216 4.736 1.00 0.00 O ATOM 932 CB GLU A 59 77.863 0.118 5.928 1.00 0.00 C ATOM 933 CG GLU A 59 76.885 -0.846 6.619 1.00 0.00 C ATOM 934 CD GLU A 59 77.001 -0.686 8.136 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.970 -0.091 8.577 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.119 -1.163 8.831 1.00 0.00 O ATOM 0 H GLU A 59 76.688 -1.875 4.629 1.00 0.00 H new ATOM 0 HA GLU A 59 78.189 0.627 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.819 0.106 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.478 1.136 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.864 -0.639 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.107 -1.874 6.333 1.00 0.00 H new ATOM 943 N PHE A 60 80.348 -0.542 3.639 1.00 0.00 N ATOM 944 CA PHE A 60 81.616 -1.299 3.443 1.00 0.00 C ATOM 945 C PHE A 60 82.683 -0.817 4.425 1.00 0.00 C ATOM 946 O PHE A 60 82.468 0.097 5.195 1.00 0.00 O ATOM 947 CB PHE A 60 82.043 -1.008 2.007 1.00 0.00 C ATOM 948 CG PHE A 60 81.034 -1.606 1.056 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.731 -1.099 1.007 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.403 -2.672 0.225 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.796 -1.654 0.126 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.467 -3.228 -0.655 1.00 0.00 C ATOM 953 CZ PHE A 60 79.163 -2.720 -0.705 1.00 0.00 C ATOM 0 H PHE A 60 80.336 0.396 3.239 1.00 0.00 H new ATOM 0 HA PHE A 60 81.482 -2.366 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.117 0.068 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.031 -1.427 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.447 -0.279 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.408 -3.064 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.791 -1.260 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.751 -4.050 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.441 -3.150 -1.384 1.00 0.00 H new ATOM 963 N LYS A 61 83.832 -1.428 4.398 1.00 0.00 N ATOM 964 CA LYS A 61 84.922 -1.013 5.325 1.00 0.00 C ATOM 965 C LYS A 61 85.741 0.117 4.699 1.00 0.00 C ATOM 966 O LYS A 61 86.603 0.697 5.329 1.00 0.00 O ATOM 967 CB LYS A 61 85.783 -2.263 5.509 1.00 0.00 C ATOM 968 CG LYS A 61 86.825 -2.011 6.600 1.00 0.00 C ATOM 969 CD LYS A 61 88.075 -2.847 6.316 1.00 0.00 C ATOM 970 CE LYS A 61 89.307 -2.130 6.870 1.00 0.00 C ATOM 971 NZ LYS A 61 89.290 -2.410 8.333 1.00 0.00 N ATOM 0 H LYS A 61 84.065 -2.199 3.773 1.00 0.00 H new ATOM 0 HA LYS A 61 84.539 -0.640 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.156 -3.112 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.277 -2.518 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.083 -0.952 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.415 -2.271 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.978 -3.832 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.184 -3.003 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 61 90.221 -2.502 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.263 -1.059 6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.125 -1.979 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.427 -2.009 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.306 -3.438 8.490 1.00 0.00 H new ATOM 985 N SER A 62 85.481 0.432 3.459 1.00 0.00 N ATOM 986 CA SER A 62 86.246 1.523 2.792 1.00 0.00 C ATOM 987 C SER A 62 85.517 1.989 1.530 1.00 0.00 C ATOM 988 O SER A 62 84.841 1.222 0.867 1.00 0.00 O ATOM 989 CB SER A 62 87.594 0.900 2.430 1.00 0.00 C ATOM 990 OG SER A 62 87.784 -0.288 3.188 1.00 0.00 O ATOM 0 H SER A 62 84.773 -0.019 2.880 1.00 0.00 H new ATOM 0 HA SER A 62 86.359 2.397 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.628 0.674 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.399 1.606 2.632 1.00 0.00 H new ATOM 0 HG SER A 62 88.647 -0.689 2.956 1.00 0.00 H new ATOM 996 N GLU A 63 85.651 3.242 1.189 1.00 0.00 N ATOM 997 CA GLU A 63 84.970 3.756 -0.032 1.00 0.00 C ATOM 998 C GLU A 63 85.305 2.862 -1.226 1.00 0.00 C ATOM 999 O GLU A 63 84.451 2.527 -2.023 1.00 0.00 O ATOM 1000 CB GLU A 63 85.533 5.164 -0.238 1.00 0.00 C ATOM 1001 CG GLU A 63 85.127 5.679 -1.620 1.00 0.00 C ATOM 1002 CD GLU A 63 86.337 5.641 -2.556 1.00 0.00 C ATOM 1003 OE1 GLU A 63 87.388 6.113 -2.153 1.00 0.00 O ATOM 1004 OE2 GLU A 63 86.191 5.141 -3.660 1.00 0.00 O ATOM 0 H GLU A 63 86.202 3.930 1.702 1.00 0.00 H new ATOM 0 HA GLU A 63 83.885 3.766 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.158 5.834 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 63 86.619 5.150 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.321 5.067 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.746 6.697 -1.543 1.00 0.00 H new ATOM 1011 N ALA A 64 86.543 2.466 -1.353 1.00 0.00 N ATOM 1012 CA ALA A 64 86.929 1.590 -2.488 1.00 0.00 C ATOM 1013 C ALA A 64 86.165 0.271 -2.403 1.00 0.00 C ATOM 1014 O ALA A 64 85.789 -0.308 -3.404 1.00 0.00 O ATOM 1015 CB ALA A 64 88.431 1.358 -2.323 1.00 0.00 C ATOM 0 H ALA A 64 87.302 2.713 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 64 86.697 2.034 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.791 0.717 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.953 2.314 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.622 0.877 -1.364 1.00 0.00 H new ATOM 1021 N ASP A 65 85.916 -0.202 -1.213 1.00 0.00 N ATOM 1022 CA ASP A 65 85.158 -1.473 -1.068 1.00 0.00 C ATOM 1023 C ASP A 65 83.715 -1.235 -1.503 1.00 0.00 C ATOM 1024 O ASP A 65 83.192 -1.912 -2.366 1.00 0.00 O ATOM 1025 CB ASP A 65 85.226 -1.816 0.421 1.00 0.00 C ATOM 1026 CG ASP A 65 86.608 -2.381 0.753 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.587 -1.754 0.382 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.665 -3.431 1.372 1.00 0.00 O ATOM 0 H ASP A 65 86.204 0.236 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 65 85.561 -2.283 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.032 -0.926 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.454 -2.543 0.673 1.00 0.00 H new ATOM 1033 N ALA A 66 83.074 -0.259 -0.921 1.00 0.00 N ATOM 1034 CA ALA A 66 81.668 0.044 -1.310 1.00 0.00 C ATOM 1035 C ALA A 66 81.615 0.468 -2.780 1.00 0.00 C ATOM 1036 O ALA A 66 80.692 0.137 -3.500 1.00 0.00 O ATOM 1037 CB ALA A 66 81.247 1.202 -0.404 1.00 0.00 C ATOM 0 H ALA A 66 83.463 0.341 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 66 81.010 -0.818 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.219 1.485 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.318 0.892 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.904 2.055 -0.575 1.00 0.00 H new ATOM 1043 N GLU A 67 82.598 1.202 -3.232 1.00 0.00 N ATOM 1044 CA GLU A 67 82.604 1.650 -4.651 1.00 0.00 C ATOM 1045 C GLU A 67 82.979 0.489 -5.576 1.00 0.00 C ATOM 1046 O GLU A 67 82.337 0.247 -6.579 1.00 0.00 O ATOM 1047 CB GLU A 67 83.663 2.749 -4.714 1.00 0.00 C ATOM 1048 CG GLU A 67 84.014 3.039 -6.174 1.00 0.00 C ATOM 1049 CD GLU A 67 84.038 4.551 -6.404 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.693 5.237 -5.636 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.399 4.998 -7.343 1.00 0.00 O ATOM 0 H GLU A 67 83.397 1.510 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 67 81.626 2.006 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.292 3.654 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.555 2.440 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.985 2.608 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.283 2.572 -6.834 1.00 0.00 H new ATOM 1058 N LYS A 68 84.014 -0.234 -5.243 1.00 0.00 N ATOM 1059 CA LYS A 68 84.429 -1.377 -6.103 1.00 0.00 C ATOM 1060 C LYS A 68 83.288 -2.389 -6.195 1.00 0.00 C ATOM 1061 O LYS A 68 83.011 -2.935 -7.242 1.00 0.00 O ATOM 1062 CB LYS A 68 85.637 -1.990 -5.395 1.00 0.00 C ATOM 1063 CG LYS A 68 86.197 -3.137 -6.237 1.00 0.00 C ATOM 1064 CD LYS A 68 86.450 -2.646 -7.665 1.00 0.00 C ATOM 1065 CE LYS A 68 87.743 -3.270 -8.198 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.780 -2.215 -8.023 1.00 0.00 N ATOM 0 H LYS A 68 84.589 -0.082 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 68 84.673 -1.070 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.404 -1.231 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.347 -2.356 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 68 87.124 -3.505 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.496 -3.971 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.612 -2.916 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.526 -1.559 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.002 -4.174 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.642 -3.554 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.696 -2.568 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 88.510 -1.369 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.859 -1.970 -7.015 1.00 0.00 H new ATOM 1080 N ASN A 69 82.620 -2.634 -5.104 1.00 0.00 N ATOM 1081 CA ASN A 69 81.492 -3.604 -5.126 1.00 0.00 C ATOM 1082 C ASN A 69 80.287 -2.986 -5.839 1.00 0.00 C ATOM 1083 O ASN A 69 79.688 -3.591 -6.706 1.00 0.00 O ATOM 1084 CB ASN A 69 81.170 -3.865 -3.655 1.00 0.00 C ATOM 1085 CG ASN A 69 81.772 -5.205 -3.231 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.057 -6.158 -2.991 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.068 -5.321 -3.130 1.00 0.00 N ATOM 0 H ASN A 69 82.806 -2.204 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 69 81.741 -4.523 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.571 -3.062 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.091 -3.875 -3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.480 -6.211 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.669 -4.522 -3.331 1.00 0.00 H new ATOM 1094 N LEU A 70 79.931 -1.783 -5.482 1.00 0.00 N ATOM 1095 CA LEU A 70 78.766 -1.124 -6.139 1.00 0.00 C ATOM 1096 C LEU A 70 79.032 -0.941 -7.634 1.00 0.00 C ATOM 1097 O LEU A 70 78.119 -0.855 -8.431 1.00 0.00 O ATOM 1098 CB LEU A 70 78.638 0.233 -5.446 1.00 0.00 C ATOM 1099 CG LEU A 70 77.616 1.093 -6.191 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.691 1.776 -5.182 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.348 2.158 -7.012 1.00 0.00 C ATOM 0 H LEU A 70 80.396 -1.227 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 70 77.854 -1.715 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.328 0.096 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.605 0.735 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 70 77.026 0.462 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.963 2.389 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.170 1.019 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.281 2.407 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.620 2.771 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.938 2.789 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.008 1.673 -7.731 1.00 0.00 H new ATOM 1113 N GLU A 71 80.274 -0.875 -8.024 1.00 0.00 N ATOM 1114 CA GLU A 71 80.593 -0.693 -9.466 1.00 0.00 C ATOM 1115 C GLU A 71 80.986 -2.033 -10.100 1.00 0.00 C ATOM 1116 O GLU A 71 80.948 -2.193 -11.304 1.00 0.00 O ATOM 1117 CB GLU A 71 81.771 0.287 -9.479 1.00 0.00 C ATOM 1118 CG GLU A 71 82.520 0.179 -10.807 1.00 0.00 C ATOM 1119 CD GLU A 71 82.841 1.581 -11.329 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.917 2.365 -11.471 1.00 0.00 O ATOM 1121 OE2 GLU A 71 84.005 1.848 -11.576 1.00 0.00 O ATOM 0 H GLU A 71 81.082 -0.939 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 71 79.744 -0.320 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.410 1.306 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.446 0.069 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.440 -0.390 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.915 -0.362 -11.535 1.00 0.00 H new ATOM 1128 N GLU A 72 81.372 -2.994 -9.305 1.00 0.00 N ATOM 1129 CA GLU A 72 81.774 -4.306 -9.869 1.00 0.00 C ATOM 1130 C GLU A 72 80.658 -5.345 -9.706 1.00 0.00 C ATOM 1131 O GLU A 72 80.747 -6.440 -10.225 1.00 0.00 O ATOM 1132 CB GLU A 72 83.010 -4.722 -9.074 1.00 0.00 C ATOM 1133 CG GLU A 72 83.712 -5.879 -9.788 1.00 0.00 C ATOM 1134 CD GLU A 72 85.201 -5.867 -9.439 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.526 -6.169 -8.302 1.00 0.00 O ATOM 1136 OE2 GLU A 72 85.992 -5.557 -10.314 1.00 0.00 O ATOM 0 H GLU A 72 81.425 -2.923 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 72 81.975 -4.236 -10.938 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.691 -3.877 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.723 -5.023 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.266 -6.828 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.580 -5.789 -10.866 1.00 0.00 H new ATOM 1143 N LYS A 73 79.612 -5.023 -8.993 1.00 0.00 N ATOM 1144 CA LYS A 73 78.514 -6.013 -8.816 1.00 0.00 C ATOM 1145 C LYS A 73 77.216 -5.471 -9.413 1.00 0.00 C ATOM 1146 O LYS A 73 76.723 -5.974 -10.401 1.00 0.00 O ATOM 1147 CB LYS A 73 78.377 -6.187 -7.304 1.00 0.00 C ATOM 1148 CG LYS A 73 78.514 -7.669 -6.946 1.00 0.00 C ATOM 1149 CD LYS A 73 79.537 -7.830 -5.820 1.00 0.00 C ATOM 1150 CE LYS A 73 80.542 -8.921 -6.194 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.949 -10.184 -5.675 1.00 0.00 N ATOM 0 H LYS A 73 79.472 -4.125 -8.530 1.00 0.00 H new ATOM 0 HA LYS A 73 78.724 -6.958 -9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.142 -5.605 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.411 -5.809 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.549 -8.070 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.828 -8.238 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.056 -6.887 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.032 -8.090 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.690 -8.968 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.517 -8.730 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.666 -10.937 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.623 -10.039 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 79.143 -10.460 -6.271 1.00 0.00 H new ATOM 1165 N GLN A 74 76.674 -4.446 -8.812 1.00 0.00 N ATOM 1166 CA GLN A 74 75.400 -3.842 -9.321 1.00 0.00 C ATOM 1167 C GLN A 74 74.490 -4.917 -9.927 1.00 0.00 C ATOM 1168 O GLN A 74 74.612 -5.266 -11.085 1.00 0.00 O ATOM 1169 CB GLN A 74 75.837 -2.846 -10.395 1.00 0.00 C ATOM 1170 CG GLN A 74 75.722 -1.422 -9.844 1.00 0.00 C ATOM 1171 CD GLN A 74 74.250 -1.007 -9.802 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.478 -1.541 -9.030 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.826 -0.068 -10.602 1.00 0.00 N ATOM 0 H GLN A 74 77.060 -3.995 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 74 74.830 -3.366 -8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.864 -3.049 -10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.215 -2.956 -11.283 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.153 -1.372 -8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 74 76.287 -0.732 -10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.473 0.381 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 74 72.847 0.218 -10.579 1.00 0.00 H new ATOM 1182 N GLY A 75 73.580 -5.448 -9.156 1.00 0.00 N ATOM 1183 CA GLY A 75 72.673 -6.499 -9.698 1.00 0.00 C ATOM 1184 C GLY A 75 73.164 -7.875 -9.247 1.00 0.00 C ATOM 1185 O GLY A 75 72.473 -8.595 -8.554 1.00 0.00 O ATOM 0 H GLY A 75 73.426 -5.201 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.654 -6.332 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.649 -6.448 -10.787 1.00 0.00 H new ATOM 1189 N ALA A 76 74.355 -8.244 -9.641 1.00 0.00 N ATOM 1190 CA ALA A 76 74.914 -9.573 -9.245 1.00 0.00 C ATOM 1191 C ALA A 76 73.835 -10.661 -9.289 1.00 0.00 C ATOM 1192 O ALA A 76 73.927 -11.661 -8.605 1.00 0.00 O ATOM 1193 CB ALA A 76 75.426 -9.378 -7.817 1.00 0.00 C ATOM 0 H ALA A 76 74.970 -7.677 -10.225 1.00 0.00 H new ATOM 0 HA ALA A 76 75.702 -9.898 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.853 -10.312 -7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 76 76.191 -8.601 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.599 -9.081 -7.171 1.00 0.00 H new ATOM 1199 N GLU A 77 72.829 -10.475 -10.105 1.00 0.00 N ATOM 1200 CA GLU A 77 71.732 -11.487 -10.233 1.00 0.00 C ATOM 1201 C GLU A 77 71.523 -12.285 -8.938 1.00 0.00 C ATOM 1202 O GLU A 77 72.190 -13.271 -8.694 1.00 0.00 O ATOM 1203 CB GLU A 77 72.189 -12.416 -11.357 1.00 0.00 C ATOM 1204 CG GLU A 77 71.158 -12.397 -12.488 1.00 0.00 C ATOM 1205 CD GLU A 77 71.595 -11.399 -13.562 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.013 -10.312 -13.197 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.506 -11.739 -14.730 1.00 0.00 O ATOM 0 H GLU A 77 72.718 -9.652 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 77 70.777 -11.005 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.162 -12.098 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.309 -13.431 -10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.059 -13.393 -12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.179 -12.121 -12.097 1.00 0.00 H new ATOM 1214 N ILE A 78 70.584 -11.885 -8.122 1.00 0.00 N ATOM 1215 CA ILE A 78 70.311 -12.640 -6.861 1.00 0.00 C ATOM 1216 C ILE A 78 68.807 -12.694 -6.631 1.00 0.00 C ATOM 1217 O ILE A 78 68.043 -12.063 -7.330 1.00 0.00 O ATOM 1218 CB ILE A 78 70.970 -11.855 -5.727 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.432 -11.563 -6.068 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.909 -12.681 -4.441 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.607 -10.065 -6.309 1.00 0.00 C ATOM 0 H ILE A 78 69.993 -11.067 -8.273 1.00 0.00 H new ATOM 0 HA ILE A 78 70.698 -13.658 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 78 70.440 -10.912 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.079 -11.890 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.729 -12.122 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.378 -12.125 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.868 -12.884 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.437 -13.623 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.649 -9.855 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.971 -9.753 -7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.327 -9.517 -5.410 1.00 0.00 H new ATOM 1233 N ASP A 79 68.368 -13.429 -5.657 1.00 0.00 N ATOM 1234 CA ASP A 79 66.908 -13.502 -5.401 1.00 0.00 C ATOM 1235 C ASP A 79 66.159 -13.702 -6.723 1.00 0.00 C ATOM 1236 O ASP A 79 65.019 -13.307 -6.871 1.00 0.00 O ATOM 1237 CB ASP A 79 66.547 -12.154 -4.775 1.00 0.00 C ATOM 1238 CG ASP A 79 65.164 -12.250 -4.127 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.209 -12.484 -4.849 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.084 -12.090 -2.920 1.00 0.00 O ATOM 0 H ASP A 79 68.952 -13.981 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 79 66.639 -14.334 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.292 -11.875 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.551 -11.374 -5.536 1.00 0.00 H new ATOM 1245 N GLY A 80 66.795 -14.318 -7.684 1.00 0.00 N ATOM 1246 CA GLY A 80 66.134 -14.552 -8.993 1.00 0.00 C ATOM 1247 C GLY A 80 66.071 -13.247 -9.791 1.00 0.00 C ATOM 1248 O GLY A 80 65.437 -13.172 -10.825 1.00 0.00 O ATOM 0 H GLY A 80 67.750 -14.670 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.683 -15.306 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.128 -14.941 -8.837 1.00 0.00 H new ATOM 1252 N ARG A 81 66.727 -12.218 -9.323 1.00 0.00 N ATOM 1253 CA ARG A 81 66.708 -10.917 -10.056 1.00 0.00 C ATOM 1254 C ARG A 81 67.987 -10.129 -9.755 1.00 0.00 C ATOM 1255 O ARG A 81 68.752 -10.482 -8.881 1.00 0.00 O ATOM 1256 CB ARG A 81 65.487 -10.169 -9.517 1.00 0.00 C ATOM 1257 CG ARG A 81 64.285 -11.114 -9.459 1.00 0.00 C ATOM 1258 CD ARG A 81 63.031 -10.322 -9.085 1.00 0.00 C ATOM 1259 NE ARG A 81 62.273 -10.180 -10.358 1.00 0.00 N ATOM 1260 CZ ARG A 81 60.994 -9.918 -10.330 1.00 0.00 C ATOM 1261 NH1 ARG A 81 60.583 -8.679 -10.312 1.00 0.00 N ATOM 1262 NH2 ARG A 81 60.128 -10.893 -10.322 1.00 0.00 N ATOM 0 H ARG A 81 67.276 -12.222 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 81 66.657 -11.054 -11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.700 -9.775 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.260 -9.316 -10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.146 -11.602 -10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 81 64.463 -11.901 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.443 -10.846 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.289 -9.348 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 81 62.752 -10.287 -11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.261 -7.917 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 81 59.584 -8.473 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.450 -11.861 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 81 59.129 -10.688 -10.300 1.00 0.00 H new ATOM 1276 N SER A 82 68.223 -9.063 -10.468 1.00 0.00 N ATOM 1277 CA SER A 82 69.450 -8.255 -10.215 1.00 0.00 C ATOM 1278 C SER A 82 69.170 -7.202 -9.138 1.00 0.00 C ATOM 1279 O SER A 82 68.203 -6.472 -9.209 1.00 0.00 O ATOM 1280 CB SER A 82 69.766 -7.585 -11.551 1.00 0.00 C ATOM 1281 OG SER A 82 69.022 -8.215 -12.586 1.00 0.00 O ATOM 0 H SER A 82 67.620 -8.716 -11.214 1.00 0.00 H new ATOM 0 HA SER A 82 70.282 -8.863 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 82 69.519 -6.524 -11.505 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.833 -7.655 -11.762 1.00 0.00 H new ATOM 0 HG SER A 82 69.224 -7.784 -13.443 1.00 0.00 H new ATOM 1287 N VAL A 83 70.010 -7.116 -8.141 1.00 0.00 N ATOM 1288 CA VAL A 83 69.782 -6.105 -7.067 1.00 0.00 C ATOM 1289 C VAL A 83 70.373 -4.753 -7.478 1.00 0.00 C ATOM 1290 O VAL A 83 71.427 -4.681 -8.077 1.00 0.00 O ATOM 1291 CB VAL A 83 70.495 -6.660 -5.833 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.978 -6.866 -6.146 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.353 -5.672 -4.675 1.00 0.00 C ATOM 0 H VAL A 83 70.839 -7.698 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 83 68.722 -5.939 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 83 70.047 -7.614 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.484 -7.261 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 83 72.081 -7.571 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.427 -5.913 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.861 -6.067 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.800 -4.718 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.297 -5.526 -4.449 1.00 0.00 H new ATOM 1303 N SER A 84 69.698 -3.680 -7.164 1.00 0.00 N ATOM 1304 CA SER A 84 70.220 -2.335 -7.544 1.00 0.00 C ATOM 1305 C SER A 84 71.051 -1.745 -6.403 1.00 0.00 C ATOM 1306 O SER A 84 70.775 -1.965 -5.240 1.00 0.00 O ATOM 1307 CB SER A 84 68.975 -1.486 -7.795 1.00 0.00 C ATOM 1308 OG SER A 84 68.553 -1.660 -9.140 1.00 0.00 O ATOM 0 H SER A 84 68.810 -3.676 -6.662 1.00 0.00 H new ATOM 0 HA SER A 84 70.870 -2.377 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.178 -1.777 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.192 -0.435 -7.603 1.00 0.00 H new ATOM 0 HG SER A 84 67.753 -1.118 -9.305 1.00 0.00 H new ATOM 1314 N LEU A 85 72.067 -0.994 -6.728 1.00 0.00 N ATOM 1315 CA LEU A 85 72.916 -0.387 -5.664 1.00 0.00 C ATOM 1316 C LEU A 85 72.825 1.140 -5.725 1.00 0.00 C ATOM 1317 O LEU A 85 73.220 1.756 -6.694 1.00 0.00 O ATOM 1318 CB LEU A 85 74.337 -0.855 -5.979 1.00 0.00 C ATOM 1319 CG LEU A 85 74.385 -2.383 -5.968 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.826 -2.852 -6.171 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.865 -2.898 -4.623 1.00 0.00 C ATOM 0 H LEU A 85 72.346 -0.774 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 85 72.603 -0.683 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.648 -0.478 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.035 -0.453 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 85 73.762 -2.772 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.859 -3.941 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.197 -2.485 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.451 -2.464 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.898 -3.987 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.489 -2.508 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.837 -2.565 -4.479 1.00 0.00 H new ATOM 1333 N TYR A 86 72.310 1.755 -4.696 1.00 0.00 N ATOM 1334 CA TYR A 86 72.197 3.240 -4.695 1.00 0.00 C ATOM 1335 C TYR A 86 73.177 3.834 -3.689 1.00 0.00 C ATOM 1336 O TYR A 86 72.870 3.992 -2.524 1.00 0.00 O ATOM 1337 CB TYR A 86 70.767 3.539 -4.265 1.00 0.00 C ATOM 1338 CG TYR A 86 69.880 3.661 -5.481 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.212 2.989 -6.663 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.725 4.449 -5.425 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.388 3.105 -7.788 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.901 4.565 -6.550 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.232 3.892 -7.732 1.00 0.00 C ATOM 1344 OH TYR A 86 67.420 4.007 -8.842 1.00 0.00 O ATOM 0 H TYR A 86 71.963 1.293 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 86 72.426 3.667 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.400 2.745 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.737 4.463 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 86 71.104 2.381 -6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.469 4.968 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 86 69.644 2.587 -8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.010 5.174 -6.506 1.00 0.00 H new ATOM 0 HH TYR A 86 66.660 4.589 -8.632 1.00 0.00 H new ATOM 1354 N TYR A 87 74.350 4.161 -4.129 1.00 0.00 N ATOM 1355 CA TYR A 87 75.358 4.741 -3.213 1.00 0.00 C ATOM 1356 C TYR A 87 74.771 5.946 -2.476 1.00 0.00 C ATOM 1357 O TYR A 87 73.584 6.199 -2.519 1.00 0.00 O ATOM 1358 CB TYR A 87 76.501 5.176 -4.125 1.00 0.00 C ATOM 1359 CG TYR A 87 77.821 4.726 -3.546 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.955 4.533 -2.166 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.911 4.498 -4.393 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.180 4.113 -1.633 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.136 4.078 -3.862 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.270 3.885 -2.482 1.00 0.00 C ATOM 1365 OH TYR A 87 81.478 3.468 -1.960 1.00 0.00 O ATOM 0 H TYR A 87 74.658 4.050 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 87 75.685 4.034 -2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.366 4.750 -5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.495 6.260 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.113 4.708 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.807 4.646 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.284 3.965 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.977 3.903 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 87 81.802 4.131 -1.315 1.00 0.00 H new ATOM 1375 N THR A 88 75.598 6.693 -1.806 1.00 0.00 N ATOM 1376 CA THR A 88 75.095 7.887 -1.069 1.00 0.00 C ATOM 1377 C THR A 88 76.219 8.901 -0.872 1.00 0.00 C ATOM 1378 O THR A 88 76.276 9.597 0.121 1.00 0.00 O ATOM 1379 CB THR A 88 74.605 7.350 0.278 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.885 8.369 0.958 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.802 6.917 1.125 1.00 0.00 C ATOM 0 H THR A 88 76.602 6.530 -1.735 1.00 0.00 H new ATOM 0 HA THR A 88 74.301 8.401 -1.611 1.00 0.00 H new ATOM 0 HB THR A 88 73.953 6.492 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.406 9.199 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 88 75.450 6.535 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 88 76.353 6.135 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.457 7.772 1.293 1.00 0.00 H new