USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 SER OG : rot -104:sc= -1.6! USER MOD Set 1.2: A 86 TYR OH : rot 30:sc= 0.0189 USER MOD Single : A 18 THR OG1 : rot -70:sc= -1.72! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.589 K(o=0.59,f=-2.3!) USER MOD Single : A 25 SER OG : rot -169:sc= 0.625 USER MOD Single : A 27 ASN : amide:sc= -0.057 K(o=-0.057,f=-1.7!) USER MOD Single : A 29 THR OG1 : rot 45:sc= 0.0821 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 -43:sc= 0.00942 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.773 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ -128:sc= 0.889 (180deg=-0.777) USER MOD Single : A 74 GLN : amide:sc= 0.265 K(o=0.27,f=-4.7!) USER MOD Single : A 82 SER OG : rot 94:sc= 0.0311 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -62:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.938 8.670 4.932 1.00 0.00 N ATOM 229 CA ALA A 15 77.955 8.060 3.992 1.00 0.00 C ATOM 230 C ALA A 15 78.674 7.468 2.777 1.00 0.00 C ATOM 231 O ALA A 15 78.120 6.677 2.040 1.00 0.00 O ATOM 232 CB ALA A 15 77.048 9.215 3.563 1.00 0.00 C ATOM 0 HA ALA A 15 77.395 7.248 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.294 8.847 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.557 9.637 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.646 9.985 3.076 1.00 0.00 H new ATOM 238 N ALA A 16 79.904 7.847 2.561 1.00 0.00 N ATOM 239 CA ALA A 16 80.654 7.308 1.390 1.00 0.00 C ATOM 240 C ALA A 16 80.679 5.782 1.433 1.00 0.00 C ATOM 241 O ALA A 16 80.543 5.118 0.424 1.00 0.00 O ATOM 242 CB ALA A 16 82.068 7.873 1.528 1.00 0.00 C ATOM 0 H ALA A 16 80.422 8.505 3.143 1.00 0.00 H new ATOM 0 HA ALA A 16 80.194 7.590 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.683 7.520 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.028 8.962 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.503 7.540 2.471 1.00 0.00 H new ATOM 248 N ARG A 17 80.847 5.219 2.594 1.00 0.00 N ATOM 249 CA ARG A 17 80.879 3.734 2.705 1.00 0.00 C ATOM 250 C ARG A 17 79.460 3.192 2.886 1.00 0.00 C ATOM 251 O ARG A 17 79.260 2.106 3.391 1.00 0.00 O ATOM 252 CB ARG A 17 81.727 3.448 3.944 1.00 0.00 C ATOM 253 CG ARG A 17 81.078 4.097 5.169 1.00 0.00 C ATOM 254 CD ARG A 17 81.989 5.204 5.703 1.00 0.00 C ATOM 255 NE ARG A 17 83.107 4.489 6.380 1.00 0.00 N ATOM 256 CZ ARG A 17 83.672 5.011 7.435 1.00 0.00 C ATOM 257 NH1 ARG A 17 82.938 5.438 8.425 1.00 0.00 N ATOM 258 NH2 ARG A 17 84.971 5.105 7.498 1.00 0.00 N ATOM 0 H ARG A 17 80.964 5.722 3.473 1.00 0.00 H new ATOM 0 HA ARG A 17 81.290 3.259 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.818 2.372 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.736 3.837 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.105 4.509 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 17 80.906 3.348 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.357 5.837 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.456 5.852 6.399 1.00 0.00 H new ATOM 0 HE ARG A 17 83.431 3.592 6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 17 81.922 5.364 8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 17 83.380 5.846 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.545 4.771 6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 17 85.413 5.513 8.322 1.00 0.00 H new ATOM 272 N THR A 18 78.471 3.942 2.481 1.00 0.00 N ATOM 273 CA THR A 18 77.066 3.467 2.636 1.00 0.00 C ATOM 274 C THR A 18 76.440 3.183 1.267 1.00 0.00 C ATOM 275 O THR A 18 76.056 4.084 0.549 1.00 0.00 O ATOM 276 CB THR A 18 76.334 4.615 3.331 1.00 0.00 C ATOM 277 OG1 THR A 18 77.168 5.161 4.344 1.00 0.00 O ATOM 278 CG2 THR A 18 75.041 4.093 3.957 1.00 0.00 C ATOM 0 H THR A 18 78.575 4.861 2.051 1.00 0.00 H new ATOM 0 HA THR A 18 77.009 2.539 3.206 1.00 0.00 H new ATOM 0 HB THR A 18 76.094 5.389 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.252 4.519 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 18 74.520 4.912 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 18 74.403 3.675 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.277 3.319 4.687 1.00 0.00 H new ATOM 286 N LEU A 19 76.334 1.934 0.905 1.00 0.00 N ATOM 287 CA LEU A 19 75.734 1.579 -0.410 1.00 0.00 C ATOM 288 C LEU A 19 74.234 1.314 -0.254 1.00 0.00 C ATOM 289 O LEU A 19 73.820 0.510 0.558 1.00 0.00 O ATOM 290 CB LEU A 19 76.462 0.304 -0.828 1.00 0.00 C ATOM 291 CG LEU A 19 76.366 0.122 -2.341 1.00 0.00 C ATOM 292 CD1 LEU A 19 74.925 0.348 -2.797 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.283 1.129 -3.036 1.00 0.00 C ATOM 0 H LEU A 19 76.639 1.140 1.468 1.00 0.00 H new ATOM 0 HA LEU A 19 75.837 2.376 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 19 77.508 0.356 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.026 -0.557 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 19 76.673 -0.891 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 19 74.860 0.217 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.271 -0.371 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.615 1.359 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.214 0.999 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.977 2.142 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.312 0.966 -2.716 1.00 0.00 H new ATOM 305 N LEU A 20 73.413 1.976 -1.025 1.00 0.00 N ATOM 306 CA LEU A 20 71.943 1.747 -0.911 1.00 0.00 C ATOM 307 C LEU A 20 71.518 0.578 -1.799 1.00 0.00 C ATOM 308 O LEU A 20 71.424 0.706 -3.004 1.00 0.00 O ATOM 309 CB LEU A 20 71.291 3.040 -1.401 1.00 0.00 C ATOM 310 CG LEU A 20 69.782 2.971 -1.154 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.502 3.048 0.349 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.094 4.142 -1.858 1.00 0.00 C ATOM 0 H LEU A 20 73.695 2.662 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 20 71.650 1.502 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.718 3.896 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 20 71.491 3.182 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 20 69.396 2.031 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.427 2.999 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.989 2.213 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.890 3.987 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.020 4.092 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.483 5.082 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.289 4.088 -2.929 1.00 0.00 H new ATOM 324 N ALA A 21 71.249 -0.560 -1.220 1.00 0.00 N ATOM 325 CA ALA A 21 70.818 -1.719 -2.048 1.00 0.00 C ATOM 326 C ALA A 21 69.328 -1.589 -2.366 1.00 0.00 C ATOM 327 O ALA A 21 68.530 -1.277 -1.506 1.00 0.00 O ATOM 328 CB ALA A 21 71.080 -2.950 -1.179 1.00 0.00 C ATOM 0 H ALA A 21 71.309 -0.736 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 21 71.350 -1.780 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.786 -3.848 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.141 -3.004 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.500 -2.876 -0.259 1.00 0.00 H new ATOM 334 N LYS A 22 68.945 -1.815 -3.591 1.00 0.00 N ATOM 335 CA LYS A 22 67.504 -1.691 -3.947 1.00 0.00 C ATOM 336 C LYS A 22 67.061 -2.881 -4.799 1.00 0.00 C ATOM 337 O LYS A 22 67.828 -3.783 -5.072 1.00 0.00 O ATOM 338 CB LYS A 22 67.403 -0.392 -4.748 1.00 0.00 C ATOM 339 CG LYS A 22 66.324 0.503 -4.135 1.00 0.00 C ATOM 340 CD LYS A 22 65.924 1.581 -5.143 1.00 0.00 C ATOM 341 CE LYS A 22 64.676 1.129 -5.906 1.00 0.00 C ATOM 342 NZ LYS A 22 64.677 1.937 -7.157 1.00 0.00 N ATOM 0 H LYS A 22 69.564 -2.079 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 22 66.863 -1.678 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.363 0.124 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.161 -0.611 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.454 -0.094 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.696 0.965 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.727 2.521 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.742 1.764 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.712 0.062 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.772 1.304 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.850 1.684 -7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.635 2.948 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.546 1.744 -7.694 1.00 0.00 H new ATOM 356 N ASN A 23 65.828 -2.888 -5.220 1.00 0.00 N ATOM 357 CA ASN A 23 65.331 -4.019 -6.054 1.00 0.00 C ATOM 358 C ASN A 23 65.494 -5.341 -5.299 1.00 0.00 C ATOM 359 O ASN A 23 65.412 -6.408 -5.874 1.00 0.00 O ATOM 360 CB ASN A 23 66.209 -4.003 -7.306 1.00 0.00 C ATOM 361 CG ASN A 23 65.466 -4.680 -8.460 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.251 -4.686 -8.495 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.149 -5.255 -9.411 1.00 0.00 N ATOM 0 H ASN A 23 65.142 -2.160 -5.023 1.00 0.00 H new ATOM 0 HA ASN A 23 64.273 -3.921 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.460 -2.977 -7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.148 -4.521 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.664 -5.710 -10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.169 -5.250 -9.381 1.00 0.00 H new ATOM 370 N LEU A 24 65.724 -5.278 -4.017 1.00 0.00 N ATOM 371 CA LEU A 24 65.889 -6.531 -3.226 1.00 0.00 C ATOM 372 C LEU A 24 64.535 -7.218 -3.042 1.00 0.00 C ATOM 373 O LEU A 24 63.633 -6.675 -2.437 1.00 0.00 O ATOM 374 CB LEU A 24 66.442 -6.078 -1.874 1.00 0.00 C ATOM 375 CG LEU A 24 67.766 -5.343 -2.078 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.942 -4.302 -0.972 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.919 -6.346 -2.020 1.00 0.00 C ATOM 0 H LEU A 24 65.805 -4.413 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 24 66.548 -7.246 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.725 -5.424 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.590 -6.940 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 24 67.763 -4.848 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.886 -3.776 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.119 -3.588 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.947 -4.799 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.864 -5.823 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.923 -6.840 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.793 -7.092 -2.805 1.00 0.00 H new ATOM 389 N SER A 25 64.383 -8.406 -3.556 1.00 0.00 N ATOM 390 CA SER A 25 63.081 -9.115 -3.397 1.00 0.00 C ATOM 391 C SER A 25 62.583 -8.971 -1.960 1.00 0.00 C ATOM 392 O SER A 25 63.341 -9.074 -1.016 1.00 0.00 O ATOM 393 CB SER A 25 63.381 -10.577 -3.714 1.00 0.00 C ATOM 394 OG SER A 25 62.699 -11.409 -2.785 1.00 0.00 O ATOM 0 H SER A 25 65.098 -8.915 -4.076 1.00 0.00 H new ATOM 0 HA SER A 25 62.307 -8.711 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.066 -10.813 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.454 -10.759 -3.663 1.00 0.00 H new ATOM 0 HG SER A 25 63.027 -12.329 -2.867 1.00 0.00 H new ATOM 400 N PHE A 26 61.315 -8.734 -1.784 1.00 0.00 N ATOM 401 CA PHE A 26 60.768 -8.583 -0.418 1.00 0.00 C ATOM 402 C PHE A 26 61.202 -9.759 0.461 1.00 0.00 C ATOM 403 O PHE A 26 61.275 -9.656 1.668 1.00 0.00 O ATOM 404 CB PHE A 26 59.260 -8.592 -0.625 1.00 0.00 C ATOM 405 CG PHE A 26 58.877 -7.542 -1.643 1.00 0.00 C ATOM 406 CD1 PHE A 26 59.688 -6.416 -1.831 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.708 -7.697 -2.398 1.00 0.00 C ATOM 408 CE1 PHE A 26 59.329 -5.446 -2.774 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.350 -6.726 -3.341 1.00 0.00 C ATOM 410 CZ PHE A 26 58.161 -5.601 -3.529 1.00 0.00 C ATOM 0 H PHE A 26 60.633 -8.638 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 26 61.116 -7.679 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 58.936 -9.576 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.753 -8.398 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 26 60.590 -6.296 -1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.083 -8.565 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 26 59.954 -4.577 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.448 -6.845 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 26 57.885 -4.852 -4.257 1.00 0.00 H new ATOM 420 N ASN A 27 61.485 -10.877 -0.142 1.00 0.00 N ATOM 421 CA ASN A 27 61.910 -12.065 0.645 1.00 0.00 C ATOM 422 C ASN A 27 63.411 -12.002 0.943 1.00 0.00 C ATOM 423 O ASN A 27 63.867 -12.451 1.975 1.00 0.00 O ATOM 424 CB ASN A 27 61.592 -13.265 -0.249 1.00 0.00 C ATOM 425 CG ASN A 27 61.680 -14.551 0.573 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.457 -14.540 1.768 1.00 0.00 O ATOM 427 ND2 ASN A 27 61.998 -15.670 -0.019 1.00 0.00 N ATOM 0 H ASN A 27 61.440 -11.020 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 27 61.401 -12.123 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 27 60.594 -13.160 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.292 -13.306 -1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.059 -16.533 0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 27 62.185 -15.681 -1.022 1.00 0.00 H new ATOM 434 N ILE A 28 64.186 -11.452 0.046 1.00 0.00 N ATOM 435 CA ILE A 28 65.656 -11.369 0.287 1.00 0.00 C ATOM 436 C ILE A 28 65.928 -10.826 1.693 1.00 0.00 C ATOM 437 O ILE A 28 65.031 -10.362 2.370 1.00 0.00 O ATOM 438 CB ILE A 28 66.185 -10.410 -0.779 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.706 -10.550 -0.877 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.832 -8.970 -0.400 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.107 -10.756 -2.339 1.00 0.00 C ATOM 0 H ILE A 28 63.867 -11.058 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 28 66.141 -12.343 0.225 1.00 0.00 H new ATOM 0 HB ILE A 28 65.730 -10.652 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.190 -9.659 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.044 -11.393 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.211 -8.290 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.749 -8.868 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.284 -8.726 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.190 -10.856 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 28 67.634 -11.660 -2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 28 67.783 -9.899 -2.929 1.00 0.00 H new ATOM 453 N THR A 29 67.155 -10.878 2.145 1.00 0.00 N ATOM 454 CA THR A 29 67.460 -10.363 3.512 1.00 0.00 C ATOM 455 C THR A 29 68.951 -10.041 3.663 1.00 0.00 C ATOM 456 O THR A 29 69.748 -10.251 2.764 1.00 0.00 O ATOM 457 CB THR A 29 67.066 -11.500 4.457 1.00 0.00 C ATOM 458 OG1 THR A 29 67.547 -12.732 3.936 1.00 0.00 O ATOM 459 CG2 THR A 29 65.544 -11.558 4.585 1.00 0.00 C ATOM 0 H THR A 29 67.953 -11.252 1.631 1.00 0.00 H new ATOM 0 HA THR A 29 66.922 -9.439 3.722 1.00 0.00 H new ATOM 0 HB THR A 29 67.503 -11.324 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.473 -12.621 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.266 -12.369 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.176 -10.613 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.103 -11.734 3.604 1.00 0.00 H new ATOM 467 N GLU A 30 69.330 -9.533 4.806 1.00 0.00 N ATOM 468 CA GLU A 30 70.762 -9.196 5.038 1.00 0.00 C ATOM 469 C GLU A 30 71.635 -10.415 4.749 1.00 0.00 C ATOM 470 O GLU A 30 72.771 -10.295 4.338 1.00 0.00 O ATOM 471 CB GLU A 30 70.846 -8.810 6.515 1.00 0.00 C ATOM 472 CG GLU A 30 72.138 -8.030 6.767 1.00 0.00 C ATOM 473 CD GLU A 30 72.646 -8.324 8.180 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.311 -9.332 8.351 1.00 0.00 O ATOM 475 OE2 GLU A 30 72.360 -7.535 9.066 1.00 0.00 O ATOM 0 H GLU A 30 68.707 -9.337 5.589 1.00 0.00 H new ATOM 0 HA GLU A 30 71.111 -8.391 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.983 -8.205 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.822 -9.705 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.893 -8.310 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.959 -6.961 6.649 1.00 0.00 H new ATOM 482 N ASP A 31 71.112 -11.592 4.953 1.00 0.00 N ATOM 483 CA ASP A 31 71.914 -12.815 4.677 1.00 0.00 C ATOM 484 C ASP A 31 72.315 -12.835 3.204 1.00 0.00 C ATOM 485 O ASP A 31 73.464 -13.033 2.862 1.00 0.00 O ATOM 486 CB ASP A 31 70.986 -13.985 5.003 1.00 0.00 C ATOM 487 CG ASP A 31 71.161 -14.382 6.471 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.016 -13.806 7.122 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.436 -15.257 6.917 1.00 0.00 O ATOM 0 H ASP A 31 70.167 -11.759 5.298 1.00 0.00 H new ATOM 0 HA ASP A 31 72.831 -12.860 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 31 69.950 -13.705 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.212 -14.833 4.357 1.00 0.00 H new ATOM 494 N GLU A 32 71.373 -12.614 2.333 1.00 0.00 N ATOM 495 CA GLU A 32 71.693 -12.600 0.880 1.00 0.00 C ATOM 496 C GLU A 32 72.507 -11.351 0.551 1.00 0.00 C ATOM 497 O GLU A 32 73.413 -11.375 -0.263 1.00 0.00 O ATOM 498 CB GLU A 32 70.338 -12.566 0.172 1.00 0.00 C ATOM 499 CG GLU A 32 69.636 -13.914 0.347 1.00 0.00 C ATOM 500 CD GLU A 32 68.728 -13.860 1.577 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.255 -13.775 2.674 1.00 0.00 O ATOM 502 OE2 GLU A 32 67.522 -13.906 1.401 1.00 0.00 O ATOM 0 H GLU A 32 70.394 -12.442 2.564 1.00 0.00 H new ATOM 0 HA GLU A 32 72.283 -13.463 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 32 69.721 -11.767 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.475 -12.350 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.049 -14.149 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.374 -14.708 0.461 1.00 0.00 H new ATOM 509 N LEU A 33 72.208 -10.261 1.201 1.00 0.00 N ATOM 510 CA LEU A 33 72.977 -9.017 0.945 1.00 0.00 C ATOM 511 C LEU A 33 74.372 -9.191 1.525 1.00 0.00 C ATOM 512 O LEU A 33 75.364 -8.822 0.924 1.00 0.00 O ATOM 513 CB LEU A 33 72.216 -7.912 1.678 1.00 0.00 C ATOM 514 CG LEU A 33 71.214 -7.263 0.723 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.074 -8.242 0.435 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.646 -5.996 1.366 1.00 0.00 C ATOM 0 H LEU A 33 71.466 -10.180 1.896 1.00 0.00 H new ATOM 0 HA LEU A 33 73.078 -8.782 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.696 -8.326 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.913 -7.163 2.054 1.00 0.00 H new ATOM 0 HG LEU A 33 71.716 -7.006 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.360 -7.779 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.477 -9.146 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.572 -8.500 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.931 -5.532 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.145 -6.255 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.457 -5.297 1.572 1.00 0.00 H new ATOM 528 N LYS A 34 74.455 -9.775 2.687 1.00 0.00 N ATOM 529 CA LYS A 34 75.781 -9.998 3.303 1.00 0.00 C ATOM 530 C LYS A 34 76.490 -11.122 2.560 1.00 0.00 C ATOM 531 O LYS A 34 77.702 -11.205 2.528 1.00 0.00 O ATOM 532 CB LYS A 34 75.499 -10.388 4.754 1.00 0.00 C ATOM 533 CG LYS A 34 76.810 -10.404 5.543 1.00 0.00 C ATOM 534 CD LYS A 34 76.638 -9.605 6.837 1.00 0.00 C ATOM 535 CE LYS A 34 77.372 -10.315 7.977 1.00 0.00 C ATOM 536 NZ LYS A 34 77.734 -9.233 8.933 1.00 0.00 N ATOM 0 H LYS A 34 73.659 -10.106 3.233 1.00 0.00 H new ATOM 0 HA LYS A 34 76.423 -9.119 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.801 -9.681 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.027 -11.370 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.096 -11.430 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.613 -9.976 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.032 -8.597 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 34 75.580 -9.506 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 34 76.737 -11.064 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.259 -10.834 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.241 -9.641 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 78.344 -8.539 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 76.869 -8.762 9.268 1.00 0.00 H new ATOM 550 N GLU A 35 75.728 -11.977 1.947 1.00 0.00 N ATOM 551 CA GLU A 35 76.322 -13.097 1.179 1.00 0.00 C ATOM 552 C GLU A 35 76.697 -12.610 -0.221 1.00 0.00 C ATOM 553 O GLU A 35 77.567 -13.155 -0.870 1.00 0.00 O ATOM 554 CB GLU A 35 75.224 -14.160 1.105 1.00 0.00 C ATOM 555 CG GLU A 35 75.684 -15.309 0.207 1.00 0.00 C ATOM 556 CD GLU A 35 75.794 -16.592 1.034 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.307 -16.519 2.138 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.365 -17.625 0.548 1.00 0.00 O ATOM 0 H GLU A 35 74.708 -11.947 1.946 1.00 0.00 H new ATOM 0 HA GLU A 35 77.227 -13.490 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.997 -14.534 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.306 -13.723 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.977 -15.451 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.648 -15.070 -0.242 1.00 0.00 H new ATOM 565 N VAL A 36 76.048 -11.575 -0.687 1.00 0.00 N ATOM 566 CA VAL A 36 76.369 -11.040 -2.036 1.00 0.00 C ATOM 567 C VAL A 36 77.551 -10.079 -1.938 1.00 0.00 C ATOM 568 O VAL A 36 78.432 -10.075 -2.774 1.00 0.00 O ATOM 569 CB VAL A 36 75.108 -10.300 -2.481 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.441 -9.382 -3.660 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.047 -11.315 -2.911 1.00 0.00 C ATOM 0 H VAL A 36 75.309 -11.079 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 36 76.646 -11.822 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 36 74.727 -9.703 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.541 -8.855 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.197 -8.658 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 75.823 -9.978 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.147 -10.788 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.429 -11.912 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.808 -11.969 -2.072 1.00 0.00 H new ATOM 581 N PHE A 37 77.575 -9.260 -0.923 1.00 0.00 N ATOM 582 CA PHE A 37 78.694 -8.300 -0.776 1.00 0.00 C ATOM 583 C PHE A 37 79.903 -8.987 -0.144 1.00 0.00 C ATOM 584 O PHE A 37 81.017 -8.881 -0.618 1.00 0.00 O ATOM 585 CB PHE A 37 78.157 -7.209 0.146 1.00 0.00 C ATOM 586 CG PHE A 37 76.754 -6.831 -0.265 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.339 -6.997 -1.592 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.870 -6.316 0.685 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.037 -6.647 -1.966 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.568 -5.964 0.313 1.00 0.00 C ATOM 591 CZ PHE A 37 74.150 -6.131 -1.013 1.00 0.00 C ATOM 0 H PHE A 37 76.866 -9.217 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 37 79.023 -7.900 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 37 78.161 -7.559 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.805 -6.334 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.024 -7.395 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 37 76.192 -6.189 1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 37 74.716 -6.775 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.886 -5.564 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.144 -5.862 -1.301 1.00 0.00 H new ATOM 601 N GLU A 38 79.683 -9.691 0.924 1.00 0.00 N ATOM 602 CA GLU A 38 80.805 -10.398 1.608 1.00 0.00 C ATOM 603 C GLU A 38 82.049 -9.507 1.652 1.00 0.00 C ATOM 604 O GLU A 38 83.166 -9.985 1.626 1.00 0.00 O ATOM 605 CB GLU A 38 81.067 -11.640 0.755 1.00 0.00 C ATOM 606 CG GLU A 38 79.741 -12.339 0.449 1.00 0.00 C ATOM 607 CD GLU A 38 80.018 -13.677 -0.239 1.00 0.00 C ATOM 608 OE1 GLU A 38 80.475 -14.585 0.435 1.00 0.00 O ATOM 609 OE2 GLU A 38 79.766 -13.772 -1.430 1.00 0.00 O ATOM 0 H GLU A 38 78.769 -9.811 1.360 1.00 0.00 H new ATOM 0 HA GLU A 38 80.563 -10.653 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.564 -11.358 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.736 -12.321 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 38 79.181 -12.500 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 79.125 -11.709 -0.192 1.00 0.00 H new ATOM 616 N ASP A 39 81.869 -8.215 1.718 1.00 0.00 N ATOM 617 CA ASP A 39 83.048 -7.303 1.761 1.00 0.00 C ATOM 618 C ASP A 39 82.653 -5.940 2.334 1.00 0.00 C ATOM 619 O ASP A 39 83.322 -4.948 2.119 1.00 0.00 O ATOM 620 CB ASP A 39 83.484 -7.162 0.303 1.00 0.00 C ATOM 621 CG ASP A 39 85.000 -6.973 0.238 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.707 -7.836 0.731 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.429 -5.968 -0.304 1.00 0.00 O ATOM 0 H ASP A 39 80.960 -7.753 1.744 1.00 0.00 H new ATOM 0 HA ASP A 39 83.845 -7.690 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.193 -8.048 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 82.981 -6.311 -0.157 1.00 0.00 H new ATOM 628 N ALA A 40 81.573 -5.878 3.062 1.00 0.00 N ATOM 629 CA ALA A 40 81.141 -4.573 3.643 1.00 0.00 C ATOM 630 C ALA A 40 81.124 -4.650 5.173 1.00 0.00 C ATOM 631 O ALA A 40 81.253 -5.708 5.753 1.00 0.00 O ATOM 632 CB ALA A 40 79.730 -4.346 3.102 1.00 0.00 C ATOM 0 H ALA A 40 80.971 -6.672 3.280 1.00 0.00 H new ATOM 0 HA ALA A 40 81.816 -3.760 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.341 -3.403 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.759 -4.311 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.082 -5.162 3.422 1.00 0.00 H new ATOM 638 N LEU A 41 80.959 -3.532 5.828 1.00 0.00 N ATOM 639 CA LEU A 41 80.927 -3.538 7.315 1.00 0.00 C ATOM 640 C LEU A 41 79.645 -4.199 7.801 1.00 0.00 C ATOM 641 O LEU A 41 79.629 -4.914 8.784 1.00 0.00 O ATOM 642 CB LEU A 41 80.928 -2.066 7.733 1.00 0.00 C ATOM 643 CG LEU A 41 82.000 -1.303 6.964 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.194 0.074 7.601 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.314 -2.084 7.017 1.00 0.00 C ATOM 0 H LEU A 41 80.845 -2.615 5.395 1.00 0.00 H new ATOM 0 HA LEU A 41 81.771 -4.085 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.950 -1.625 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.111 -1.984 8.804 1.00 0.00 H new ATOM 0 HG LEU A 41 81.693 -1.182 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.960 0.623 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.255 0.627 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.505 -0.046 8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.083 -1.541 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.625 -2.203 8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.172 -3.066 6.566 1.00 0.00 H new ATOM 657 N GLU A 42 78.565 -3.950 7.120 1.00 0.00 N ATOM 658 CA GLU A 42 77.265 -4.544 7.537 1.00 0.00 C ATOM 659 C GLU A 42 76.167 -4.145 6.552 1.00 0.00 C ATOM 660 O GLU A 42 76.357 -3.289 5.711 1.00 0.00 O ATOM 661 CB GLU A 42 76.994 -3.950 8.922 1.00 0.00 C ATOM 662 CG GLU A 42 76.520 -2.500 8.781 1.00 0.00 C ATOM 663 CD GLU A 42 76.831 -1.733 10.068 1.00 0.00 C ATOM 664 OE1 GLU A 42 77.937 -1.873 10.564 1.00 0.00 O ATOM 665 OE2 GLU A 42 75.959 -1.020 10.533 1.00 0.00 O ATOM 0 H GLU A 42 78.525 -3.359 6.290 1.00 0.00 H new ATOM 0 HA GLU A 42 77.288 -5.634 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.238 -4.541 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.899 -3.989 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.015 -2.025 7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.449 -2.474 8.580 1.00 0.00 H new ATOM 672 N ILE A 43 75.023 -4.761 6.643 1.00 0.00 N ATOM 673 CA ILE A 43 73.926 -4.408 5.700 1.00 0.00 C ATOM 674 C ILE A 43 72.614 -4.160 6.440 1.00 0.00 C ATOM 675 O ILE A 43 72.263 -4.858 7.371 1.00 0.00 O ATOM 676 CB ILE A 43 73.784 -5.614 4.777 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.108 -5.866 4.057 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.691 -5.336 3.742 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.728 -7.170 4.563 1.00 0.00 C ATOM 0 H ILE A 43 74.800 -5.488 7.323 1.00 0.00 H new ATOM 0 HA ILE A 43 74.155 -3.491 5.157 1.00 0.00 H new ATOM 0 HB ILE A 43 73.517 -6.491 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.943 -5.924 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.792 -5.035 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.588 -6.197 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.745 -5.155 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.961 -4.458 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.672 -7.348 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.908 -7.095 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.046 -7.997 4.366 1.00 0.00 H new ATOM 691 N ARG A 44 71.877 -3.180 6.004 1.00 0.00 N ATOM 692 CA ARG A 44 70.566 -2.875 6.637 1.00 0.00 C ATOM 693 C ARG A 44 69.463 -3.084 5.599 1.00 0.00 C ATOM 694 O ARG A 44 69.729 -3.158 4.416 1.00 0.00 O ATOM 695 CB ARG A 44 70.655 -1.408 7.055 1.00 0.00 C ATOM 696 CG ARG A 44 71.060 -1.324 8.528 1.00 0.00 C ATOM 697 CD ARG A 44 69.835 -1.576 9.410 1.00 0.00 C ATOM 698 NE ARG A 44 70.251 -2.663 10.340 1.00 0.00 N ATOM 699 CZ ARG A 44 69.382 -3.184 11.163 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.336 -3.810 10.698 1.00 0.00 N ATOM 701 NH2 ARG A 44 69.561 -3.080 12.451 1.00 0.00 N ATOM 0 H ARG A 44 72.130 -2.570 5.227 1.00 0.00 H new ATOM 0 HA ARG A 44 70.341 -3.512 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.384 -0.885 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.695 -0.916 6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.835 -2.059 8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.482 -0.342 8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.549 -0.677 9.956 1.00 0.00 H new ATOM 0 HD3 ARG A 44 68.973 -1.874 8.813 1.00 0.00 H new ATOM 0 HE ARG A 44 71.214 -3.000 10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.197 -3.893 9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.657 -4.217 11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.380 -2.592 12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.882 -3.487 13.095 1.00 0.00 H new ATOM 715 N LEU A 45 68.234 -3.188 6.015 1.00 0.00 N ATOM 716 CA LEU A 45 67.146 -3.408 5.024 1.00 0.00 C ATOM 717 C LEU A 45 66.203 -2.211 4.982 1.00 0.00 C ATOM 718 O LEU A 45 66.203 -1.369 5.857 1.00 0.00 O ATOM 719 CB LEU A 45 66.410 -4.655 5.513 1.00 0.00 C ATOM 720 CG LEU A 45 66.405 -5.707 4.405 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.689 -6.966 4.898 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.674 -5.153 3.180 1.00 0.00 C ATOM 0 H LEU A 45 67.937 -3.131 6.989 1.00 0.00 H new ATOM 0 HA LEU A 45 67.535 -3.532 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.896 -5.052 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.388 -4.401 5.794 1.00 0.00 H new ATOM 0 HG LEU A 45 67.432 -5.955 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.686 -7.716 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.208 -7.362 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.662 -6.719 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.670 -5.903 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.648 -4.905 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.183 -4.256 2.827 1.00 0.00 H new ATOM 734 N VAL A 46 65.397 -2.133 3.963 1.00 0.00 N ATOM 735 CA VAL A 46 64.450 -0.999 3.845 1.00 0.00 C ATOM 736 C VAL A 46 63.256 -1.402 2.976 1.00 0.00 C ATOM 737 O VAL A 46 63.397 -1.782 1.818 1.00 0.00 O ATOM 738 CB VAL A 46 65.256 0.120 3.199 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.313 1.247 2.781 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.273 0.648 4.212 1.00 0.00 C ATOM 0 H VAL A 46 65.355 -2.812 3.203 1.00 0.00 H new ATOM 0 HA VAL A 46 64.041 -0.690 4.807 1.00 0.00 H new ATOM 0 HB VAL A 46 65.777 -0.257 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.888 2.049 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.583 0.865 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.794 1.632 3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.855 1.450 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.749 1.030 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 46 66.940 -0.160 4.512 1.00 0.00 H new ATOM 750 N SER A 47 62.082 -1.335 3.544 1.00 0.00 N ATOM 751 CA SER A 47 60.853 -1.724 2.804 1.00 0.00 C ATOM 752 C SER A 47 59.758 -0.674 3.001 1.00 0.00 C ATOM 753 O SER A 47 59.963 0.343 3.633 1.00 0.00 O ATOM 754 CB SER A 47 60.438 -3.039 3.451 1.00 0.00 C ATOM 755 OG SER A 47 60.601 -2.940 4.860 1.00 0.00 O ATOM 0 H SER A 47 61.923 -1.023 4.502 1.00 0.00 H new ATOM 0 HA SER A 47 61.018 -1.811 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.400 -3.266 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.043 -3.857 3.060 1.00 0.00 H new ATOM 0 HG SER A 47 60.333 -3.784 5.280 1.00 0.00 H new ATOM 819 N SER A 52 58.991 -4.529 1.118 1.00 0.00 N ATOM 820 CA SER A 52 58.250 -4.249 -0.142 1.00 0.00 C ATOM 821 C SER A 52 58.999 -3.256 -1.046 1.00 0.00 C ATOM 822 O SER A 52 58.600 -3.031 -2.172 1.00 0.00 O ATOM 823 CB SER A 52 56.928 -3.654 0.324 1.00 0.00 C ATOM 824 OG SER A 52 55.969 -3.760 -0.721 1.00 0.00 O ATOM 0 HA SER A 52 58.126 -5.150 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 56.574 -4.177 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 52 57.065 -2.609 0.603 1.00 0.00 H new ATOM 0 HG SER A 52 56.385 -3.514 -1.573 1.00 0.00 H new ATOM 830 N LYS A 53 60.082 -2.669 -0.599 1.00 0.00 N ATOM 831 CA LYS A 53 60.812 -1.728 -1.485 1.00 0.00 C ATOM 832 C LYS A 53 62.130 -2.372 -1.901 1.00 0.00 C ATOM 833 O LYS A 53 62.879 -1.835 -2.692 1.00 0.00 O ATOM 834 CB LYS A 53 61.055 -0.480 -0.637 1.00 0.00 C ATOM 835 CG LYS A 53 59.714 0.086 -0.164 1.00 0.00 C ATOM 836 CD LYS A 53 59.392 1.358 -0.950 1.00 0.00 C ATOM 837 CE LYS A 53 59.164 2.516 0.024 1.00 0.00 C ATOM 838 NZ LYS A 53 58.323 3.490 -0.725 1.00 0.00 N ATOM 0 H LYS A 53 60.483 -2.802 0.329 1.00 0.00 H new ATOM 0 HA LYS A 53 60.263 -1.480 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 53 61.680 -0.727 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.593 0.269 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.925 -0.652 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.756 0.306 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 53 60.211 1.596 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 53 58.504 1.204 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.662 2.176 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 53 60.109 2.965 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.124 4.313 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.829 3.801 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 57.428 3.037 -0.999 1.00 0.00 H new ATOM 852 N GLY A 54 62.416 -3.527 -1.363 1.00 0.00 N ATOM 853 CA GLY A 54 63.680 -4.214 -1.712 1.00 0.00 C ATOM 854 C GLY A 54 64.839 -3.253 -1.500 1.00 0.00 C ATOM 855 O GLY A 54 65.852 -3.336 -2.164 1.00 0.00 O ATOM 0 H GLY A 54 61.823 -4.021 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.809 -5.102 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.653 -4.549 -2.749 1.00 0.00 H new ATOM 859 N ILE A 55 64.709 -2.336 -0.577 1.00 0.00 N ATOM 860 CA ILE A 55 65.835 -1.386 -0.352 1.00 0.00 C ATOM 861 C ILE A 55 66.653 -1.834 0.860 1.00 0.00 C ATOM 862 O ILE A 55 66.159 -2.530 1.722 1.00 0.00 O ATOM 863 CB ILE A 55 65.177 -0.029 -0.108 1.00 0.00 C ATOM 864 CG1 ILE A 55 64.104 0.213 -1.170 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.234 1.073 -0.200 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.462 1.582 -0.941 1.00 0.00 C ATOM 0 H ILE A 55 63.891 -2.206 0.018 1.00 0.00 H new ATOM 0 HA ILE A 55 66.522 -1.342 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 55 64.722 -0.019 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.545 0.168 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.346 -0.569 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.766 2.042 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 55 67.004 0.902 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.686 1.061 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.697 1.756 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 55 63.007 1.609 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.224 2.358 -1.011 1.00 0.00 H new ATOM 878 N ALA A 56 67.901 -1.457 0.932 1.00 0.00 N ATOM 879 CA ALA A 56 68.730 -1.885 2.094 1.00 0.00 C ATOM 880 C ALA A 56 69.888 -0.908 2.311 1.00 0.00 C ATOM 881 O ALA A 56 70.409 -0.331 1.378 1.00 0.00 O ATOM 882 CB ALA A 56 69.261 -3.267 1.713 1.00 0.00 C ATOM 0 H ALA A 56 68.379 -0.876 0.243 1.00 0.00 H new ATOM 0 HA ALA A 56 68.158 -1.908 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.884 -3.653 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.424 -3.945 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.855 -3.190 0.802 1.00 0.00 H new ATOM 888 N TYR A 57 70.302 -0.729 3.535 1.00 0.00 N ATOM 889 CA TYR A 57 71.434 0.200 3.810 1.00 0.00 C ATOM 890 C TYR A 57 72.715 -0.609 4.014 1.00 0.00 C ATOM 891 O TYR A 57 72.983 -1.110 5.088 1.00 0.00 O ATOM 892 CB TYR A 57 71.046 0.942 5.089 1.00 0.00 C ATOM 893 CG TYR A 57 70.773 2.392 4.768 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.831 3.246 4.435 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.462 2.881 4.801 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.577 4.590 4.136 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.208 4.225 4.503 1.00 0.00 C ATOM 898 CZ TYR A 57 70.266 5.080 4.170 1.00 0.00 C ATOM 899 OH TYR A 57 70.016 6.404 3.875 1.00 0.00 O ATOM 0 H TYR A 57 69.906 -1.186 4.356 1.00 0.00 H new ATOM 0 HA TYR A 57 71.617 0.896 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.162 0.484 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 57 71.848 0.866 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.842 2.868 4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.646 2.221 5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.393 5.249 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.196 4.602 4.530 1.00 0.00 H new ATOM 0 HH TYR A 57 69.054 6.579 3.944 1.00 0.00 H new ATOM 909 N ILE A 58 73.496 -0.759 2.983 1.00 0.00 N ATOM 910 CA ILE A 58 74.750 -1.558 3.100 1.00 0.00 C ATOM 911 C ILE A 58 75.951 -0.648 3.369 1.00 0.00 C ATOM 912 O ILE A 58 76.298 0.191 2.565 1.00 0.00 O ATOM 913 CB ILE A 58 74.894 -2.254 1.744 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.531 -2.784 1.287 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.870 -3.422 1.866 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.653 -3.354 -0.126 1.00 0.00 C ATOM 0 H ILE A 58 73.321 -0.362 2.060 1.00 0.00 H new ATOM 0 HA ILE A 58 74.710 -2.267 3.927 1.00 0.00 H new ATOM 0 HB ILE A 58 75.271 -1.537 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.180 -3.555 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.793 -1.982 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 58 75.970 -3.915 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.843 -3.051 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.494 -4.135 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.683 -3.731 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.985 -2.570 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.378 -4.168 -0.129 1.00 0.00 H new ATOM 928 N GLU A 59 76.597 -0.814 4.494 1.00 0.00 N ATOM 929 CA GLU A 59 77.781 0.038 4.805 1.00 0.00 C ATOM 930 C GLU A 59 79.064 -0.712 4.448 1.00 0.00 C ATOM 931 O GLU A 59 79.522 -1.559 5.188 1.00 0.00 O ATOM 932 CB GLU A 59 77.726 0.287 6.315 1.00 0.00 C ATOM 933 CG GLU A 59 76.284 0.548 6.748 1.00 0.00 C ATOM 934 CD GLU A 59 75.678 1.647 5.874 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.428 2.494 5.416 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.474 1.625 5.678 1.00 0.00 O ATOM 0 H GLU A 59 76.356 -1.501 5.208 1.00 0.00 H new ATOM 0 HA GLU A 59 77.771 0.971 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.125 -0.576 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.353 1.140 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.696 -0.366 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.256 0.846 7.796 1.00 0.00 H new ATOM 943 N PHE A 60 79.651 -0.415 3.322 1.00 0.00 N ATOM 944 CA PHE A 60 80.902 -1.128 2.943 1.00 0.00 C ATOM 945 C PHE A 60 82.089 -0.569 3.723 1.00 0.00 C ATOM 946 O PHE A 60 81.956 0.331 4.527 1.00 0.00 O ATOM 947 CB PHE A 60 81.086 -0.885 1.449 1.00 0.00 C ATOM 948 CG PHE A 60 80.188 -1.818 0.672 1.00 0.00 C ATOM 949 CD1 PHE A 60 78.833 -1.510 0.501 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.712 -2.996 0.128 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.003 -2.379 -0.217 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.881 -3.866 -0.591 1.00 0.00 C ATOM 953 CZ PHE A 60 78.527 -3.556 -0.763 1.00 0.00 C ATOM 0 H PHE A 60 79.323 0.283 2.654 1.00 0.00 H new ATOM 0 HA PHE A 60 80.840 -2.192 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.849 0.151 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.127 -1.048 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.428 -0.602 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.757 -3.235 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 60 76.958 -2.141 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.285 -4.775 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.886 -4.226 -1.317 1.00 0.00 H new ATOM 963 N LYS A 61 83.248 -1.103 3.484 1.00 0.00 N ATOM 964 CA LYS A 61 84.463 -0.623 4.204 1.00 0.00 C ATOM 965 C LYS A 61 84.809 0.805 3.777 1.00 0.00 C ATOM 966 O LYS A 61 85.527 1.511 4.457 1.00 0.00 O ATOM 967 CB LYS A 61 85.575 -1.589 3.793 1.00 0.00 C ATOM 968 CG LYS A 61 86.595 -1.706 4.927 1.00 0.00 C ATOM 969 CD LYS A 61 87.763 -0.754 4.663 1.00 0.00 C ATOM 970 CE LYS A 61 89.080 -1.452 5.006 1.00 0.00 C ATOM 971 NZ LYS A 61 90.140 -0.569 4.446 1.00 0.00 N ATOM 0 H LYS A 61 83.412 -1.857 2.817 1.00 0.00 H new ATOM 0 HA LYS A 61 84.318 -0.602 5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.154 -2.569 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.063 -1.233 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.124 -1.465 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.957 -2.731 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.765 -0.445 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.652 0.150 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.194 -1.572 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.124 -2.449 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.074 -0.981 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.009 -0.479 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.077 0.371 4.887 1.00 0.00 H new ATOM 985 N SER A 62 84.304 1.237 2.655 1.00 0.00 N ATOM 986 CA SER A 62 84.606 2.619 2.187 1.00 0.00 C ATOM 987 C SER A 62 83.926 2.879 0.840 1.00 0.00 C ATOM 988 O SER A 62 83.547 1.962 0.139 1.00 0.00 O ATOM 989 CB SER A 62 86.125 2.665 2.037 1.00 0.00 C ATOM 990 OG SER A 62 86.633 1.339 1.969 1.00 0.00 O ATOM 0 H SER A 62 83.696 0.694 2.042 1.00 0.00 H new ATOM 0 HA SER A 62 84.243 3.378 2.880 1.00 0.00 H new ATOM 0 HB2 SER A 62 86.396 3.217 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 62 86.569 3.194 2.881 1.00 0.00 H new ATOM 0 HG SER A 62 87.608 1.367 1.871 1.00 0.00 H new ATOM 996 N GLU A 63 83.767 4.120 0.474 1.00 0.00 N ATOM 997 CA GLU A 63 83.111 4.432 -0.826 1.00 0.00 C ATOM 998 C GLU A 63 83.709 3.571 -1.939 1.00 0.00 C ATOM 999 O GLU A 63 83.008 3.083 -2.803 1.00 0.00 O ATOM 1000 CB GLU A 63 83.401 5.912 -1.074 1.00 0.00 C ATOM 1001 CG GLU A 63 82.381 6.474 -2.067 1.00 0.00 C ATOM 1002 CD GLU A 63 82.942 6.372 -3.487 1.00 0.00 C ATOM 1003 OE1 GLU A 63 83.919 5.665 -3.668 1.00 0.00 O ATOM 1004 OE2 GLU A 63 82.383 7.003 -4.369 1.00 0.00 O ATOM 0 H GLU A 63 84.062 4.931 1.018 1.00 0.00 H new ATOM 0 HA GLU A 63 82.041 4.227 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.353 6.465 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.411 6.035 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 63 81.444 5.922 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.158 7.513 -1.826 1.00 0.00 H new ATOM 1011 N ALA A 64 84.998 3.374 -1.926 1.00 0.00 N ATOM 1012 CA ALA A 64 85.627 2.540 -2.983 1.00 0.00 C ATOM 1013 C ALA A 64 85.074 1.120 -2.909 1.00 0.00 C ATOM 1014 O ALA A 64 84.817 0.489 -3.914 1.00 0.00 O ATOM 1015 CB ALA A 64 87.125 2.560 -2.674 1.00 0.00 C ATOM 0 H ALA A 64 85.640 3.754 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 64 85.425 2.912 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 64 87.657 1.963 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 64 87.489 3.587 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 64 87.297 2.144 -1.681 1.00 0.00 H new ATOM 1021 N ASP A 65 84.868 0.620 -1.723 1.00 0.00 N ATOM 1022 CA ASP A 65 84.306 -0.750 -1.590 1.00 0.00 C ATOM 1023 C ASP A 65 82.850 -0.718 -2.047 1.00 0.00 C ATOM 1024 O ASP A 65 82.450 -1.432 -2.947 1.00 0.00 O ATOM 1025 CB ASP A 65 84.406 -1.080 -0.101 1.00 0.00 C ATOM 1026 CG ASP A 65 84.065 -2.554 0.121 1.00 0.00 C ATOM 1027 OD1 ASP A 65 83.569 -3.173 -0.805 1.00 0.00 O ATOM 1028 OD2 ASP A 65 84.307 -3.039 1.214 1.00 0.00 O ATOM 0 H ASP A 65 85.064 1.099 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 65 84.829 -1.495 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.412 -0.870 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 65 83.724 -0.449 0.468 1.00 0.00 H new ATOM 1033 N ALA A 66 82.061 0.132 -1.449 1.00 0.00 N ATOM 1034 CA ALA A 66 80.638 0.240 -1.864 1.00 0.00 C ATOM 1035 C ALA A 66 80.572 0.623 -3.345 1.00 0.00 C ATOM 1036 O ALA A 66 79.738 0.141 -4.084 1.00 0.00 O ATOM 1037 CB ALA A 66 80.052 1.351 -0.991 1.00 0.00 C ATOM 0 H ALA A 66 82.342 0.755 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 66 80.089 -0.694 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.000 1.491 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.144 1.075 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 66 80.594 2.279 -1.171 1.00 0.00 H new ATOM 1043 N GLU A 67 81.457 1.483 -3.785 1.00 0.00 N ATOM 1044 CA GLU A 67 81.450 1.884 -5.218 1.00 0.00 C ATOM 1045 C GLU A 67 81.823 0.685 -6.089 1.00 0.00 C ATOM 1046 O GLU A 67 81.179 0.396 -7.079 1.00 0.00 O ATOM 1047 CB GLU A 67 82.511 2.981 -5.330 1.00 0.00 C ATOM 1048 CG GLU A 67 82.784 3.280 -6.804 1.00 0.00 C ATOM 1049 CD GLU A 67 83.630 4.548 -6.922 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.833 4.453 -6.744 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.061 5.595 -7.187 1.00 0.00 O ATOM 0 H GLU A 67 82.180 1.921 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 67 80.472 2.234 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.171 3.883 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.430 2.664 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.303 2.440 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 67 81.843 3.407 -7.340 1.00 0.00 H new ATOM 1058 N LYS A 68 82.854 -0.028 -5.719 1.00 0.00 N ATOM 1059 CA LYS A 68 83.258 -1.217 -6.517 1.00 0.00 C ATOM 1060 C LYS A 68 82.098 -2.208 -6.560 1.00 0.00 C ATOM 1061 O LYS A 68 81.835 -2.834 -7.568 1.00 0.00 O ATOM 1062 CB LYS A 68 84.452 -1.813 -5.769 1.00 0.00 C ATOM 1063 CG LYS A 68 85.205 -2.774 -6.691 1.00 0.00 C ATOM 1064 CD LYS A 68 85.959 -1.975 -7.756 1.00 0.00 C ATOM 1065 CE LYS A 68 87.464 -2.078 -7.501 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.099 -1.435 -8.684 1.00 0.00 N ATOM 0 H LYS A 68 83.431 0.163 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 68 83.517 -0.969 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.118 -1.018 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.110 -2.340 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.904 -3.378 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.506 -3.463 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.721 -2.357 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 68 85.646 -0.931 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.744 -1.570 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.777 -3.117 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.134 -1.466 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.820 -1.944 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.788 -0.445 -8.750 1.00 0.00 H new ATOM 1080 N ASN A 69 81.392 -2.342 -5.471 1.00 0.00 N ATOM 1081 CA ASN A 69 80.236 -3.279 -5.444 1.00 0.00 C ATOM 1082 C ASN A 69 79.106 -2.727 -6.317 1.00 0.00 C ATOM 1083 O ASN A 69 78.434 -3.456 -7.017 1.00 0.00 O ATOM 1084 CB ASN A 69 79.809 -3.333 -3.977 1.00 0.00 C ATOM 1085 CG ASN A 69 80.306 -4.635 -3.350 1.00 0.00 C ATOM 1086 OD1 ASN A 69 79.519 -5.487 -2.984 1.00 0.00 O ATOM 1087 ND2 ASN A 69 81.589 -4.829 -3.206 1.00 0.00 N ATOM 0 H ASN A 69 81.567 -1.843 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 69 80.485 -4.268 -5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.216 -2.478 -3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 69 78.723 -3.271 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 69 81.930 -5.694 -2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.250 -4.115 -3.512 1.00 0.00 H new ATOM 1094 N LEU A 70 78.897 -1.439 -6.284 1.00 0.00 N ATOM 1095 CA LEU A 70 77.818 -0.839 -7.118 1.00 0.00 C ATOM 1096 C LEU A 70 78.257 -0.794 -8.584 1.00 0.00 C ATOM 1097 O LEU A 70 77.446 -0.697 -9.483 1.00 0.00 O ATOM 1098 CB LEU A 70 77.630 0.577 -6.565 1.00 0.00 C ATOM 1099 CG LEU A 70 76.901 1.443 -7.595 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.216 2.613 -6.887 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.908 1.985 -8.610 1.00 0.00 C ATOM 0 H LEU A 70 79.426 -0.777 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 70 76.892 -1.413 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 70 77.060 0.542 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 70 78.599 1.016 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 70 76.153 0.840 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.697 3.229 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 70 75.498 2.230 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.964 3.215 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.389 2.602 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.656 2.587 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.398 1.153 -9.117 1.00 0.00 H new ATOM 1113 N GLU A 71 79.536 -0.863 -8.831 1.00 0.00 N ATOM 1114 CA GLU A 71 80.024 -0.823 -10.239 1.00 0.00 C ATOM 1115 C GLU A 71 80.332 -2.240 -10.734 1.00 0.00 C ATOM 1116 O GLU A 71 80.421 -2.488 -11.919 1.00 0.00 O ATOM 1117 CB GLU A 71 81.299 0.018 -10.194 1.00 0.00 C ATOM 1118 CG GLU A 71 81.180 1.180 -11.183 1.00 0.00 C ATOM 1119 CD GLU A 71 82.102 0.930 -12.377 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.676 0.253 -13.298 1.00 0.00 O ATOM 1121 OE2 GLU A 71 83.219 1.421 -12.351 1.00 0.00 O ATOM 0 H GLU A 71 80.263 -0.945 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 71 79.283 -0.403 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.460 0.400 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.163 -0.598 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.149 1.280 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.447 2.117 -10.694 1.00 0.00 H new ATOM 1128 N GLU A 72 80.502 -3.170 -9.834 1.00 0.00 N ATOM 1129 CA GLU A 72 80.809 -4.558 -10.249 1.00 0.00 C ATOM 1130 C GLU A 72 79.787 -5.538 -9.662 1.00 0.00 C ATOM 1131 O GLU A 72 79.689 -6.671 -10.087 1.00 0.00 O ATOM 1132 CB GLU A 72 82.203 -4.835 -9.689 1.00 0.00 C ATOM 1133 CG GLU A 72 82.865 -5.955 -10.493 1.00 0.00 C ATOM 1134 CD GLU A 72 83.842 -6.718 -9.598 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.623 -6.737 -8.398 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.793 -7.270 -10.127 1.00 0.00 O ATOM 0 H GLU A 72 80.440 -3.022 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 72 80.769 -4.681 -11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.811 -3.932 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.134 -5.119 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.107 -6.634 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.392 -5.538 -11.352 1.00 0.00 H new ATOM 1143 N LYS A 73 79.029 -5.115 -8.687 1.00 0.00 N ATOM 1144 CA LYS A 73 78.021 -6.032 -8.079 1.00 0.00 C ATOM 1145 C LYS A 73 76.600 -5.555 -8.396 1.00 0.00 C ATOM 1146 O LYS A 73 75.631 -6.183 -8.021 1.00 0.00 O ATOM 1147 CB LYS A 73 78.285 -5.975 -6.575 1.00 0.00 C ATOM 1148 CG LYS A 73 78.205 -7.385 -5.987 1.00 0.00 C ATOM 1149 CD LYS A 73 79.588 -8.037 -6.033 1.00 0.00 C ATOM 1150 CE LYS A 73 79.977 -8.510 -4.630 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.183 -9.979 -4.763 1.00 0.00 N ATOM 0 H LYS A 73 79.063 -4.178 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 73 78.104 -7.047 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.268 -5.546 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.555 -5.326 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.846 -7.342 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.490 -7.985 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.581 -8.880 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.325 -7.326 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.884 -8.014 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.194 -8.285 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 79.622 -10.475 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.880 -10.288 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.190 -10.202 -4.632 1.00 0.00 H new ATOM 1165 N GLN A 74 76.468 -4.454 -9.086 1.00 0.00 N ATOM 1166 CA GLN A 74 75.110 -3.946 -9.430 1.00 0.00 C ATOM 1167 C GLN A 74 74.286 -5.065 -10.066 1.00 0.00 C ATOM 1168 O GLN A 74 74.287 -5.248 -11.266 1.00 0.00 O ATOM 1169 CB GLN A 74 75.346 -2.817 -10.433 1.00 0.00 C ATOM 1170 CG GLN A 74 74.001 -2.276 -10.919 1.00 0.00 C ATOM 1171 CD GLN A 74 73.545 -1.140 -10.001 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.656 -1.315 -9.192 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.123 0.027 -10.091 1.00 0.00 N ATOM 0 H GLN A 74 77.243 -3.885 -9.426 1.00 0.00 H new ATOM 0 HA GLN A 74 74.562 -3.598 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.924 -2.019 -9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.929 -3.183 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.091 -1.916 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.257 -3.073 -10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.870 0.175 -10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 74 73.828 0.791 -9.482 1.00 0.00 H new ATOM 1182 N GLY A 75 73.591 -5.818 -9.265 1.00 0.00 N ATOM 1183 CA GLY A 75 72.774 -6.935 -9.813 1.00 0.00 C ATOM 1184 C GLY A 75 73.257 -8.256 -9.207 1.00 0.00 C ATOM 1185 O GLY A 75 72.503 -8.985 -8.595 1.00 0.00 O ATOM 0 H GLY A 75 73.552 -5.709 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.720 -6.779 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.861 -6.966 -10.899 1.00 0.00 H new ATOM 1189 N ALA A 76 74.515 -8.561 -9.374 1.00 0.00 N ATOM 1190 CA ALA A 76 75.069 -9.829 -8.812 1.00 0.00 C ATOM 1191 C ALA A 76 74.123 -11.003 -9.075 1.00 0.00 C ATOM 1192 O ALA A 76 74.150 -11.994 -8.372 1.00 0.00 O ATOM 1193 CB ALA A 76 75.202 -9.571 -7.311 1.00 0.00 C ATOM 0 H ALA A 76 75.188 -7.984 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 76 76.022 -10.094 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.604 -10.459 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.875 -8.730 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.222 -9.340 -6.893 1.00 0.00 H new ATOM 1199 N GLU A 77 73.300 -10.898 -10.086 1.00 0.00 N ATOM 1200 CA GLU A 77 72.347 -12.006 -10.416 1.00 0.00 C ATOM 1201 C GLU A 77 71.878 -12.722 -9.145 1.00 0.00 C ATOM 1202 O GLU A 77 72.398 -13.759 -8.780 1.00 0.00 O ATOM 1203 CB GLU A 77 73.147 -12.961 -11.303 1.00 0.00 C ATOM 1204 CG GLU A 77 72.252 -13.480 -12.430 1.00 0.00 C ATOM 1205 CD GLU A 77 72.410 -12.584 -13.661 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.299 -11.750 -13.651 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.637 -12.747 -14.591 1.00 0.00 O ATOM 0 H GLU A 77 73.245 -10.088 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 77 71.449 -11.635 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.014 -12.448 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.524 -13.795 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.520 -14.507 -12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.211 -13.491 -12.106 1.00 0.00 H new ATOM 1214 N ILE A 78 70.905 -12.181 -8.466 1.00 0.00 N ATOM 1215 CA ILE A 78 70.416 -12.837 -7.219 1.00 0.00 C ATOM 1216 C ILE A 78 68.889 -12.851 -7.203 1.00 0.00 C ATOM 1217 O ILE A 78 68.246 -12.193 -7.994 1.00 0.00 O ATOM 1218 CB ILE A 78 70.934 -11.975 -6.069 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.366 -11.509 -6.354 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.918 -12.792 -4.776 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.729 -10.375 -5.396 1.00 0.00 C ATOM 0 H ILE A 78 70.428 -11.316 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 78 70.761 -13.868 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 78 70.291 -11.101 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.062 -12.339 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.451 -11.170 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.287 -12.179 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.899 -13.112 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.557 -13.668 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.747 -10.041 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.040 -9.543 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.659 -10.731 -4.368 1.00 0.00 H new ATOM 1233 N ASP A 79 68.305 -13.588 -6.301 1.00 0.00 N ATOM 1234 CA ASP A 79 66.820 -13.636 -6.232 1.00 0.00 C ATOM 1235 C ASP A 79 66.230 -13.716 -7.642 1.00 0.00 C ATOM 1236 O ASP A 79 65.243 -13.077 -7.951 1.00 0.00 O ATOM 1237 CB ASP A 79 66.413 -12.327 -5.556 1.00 0.00 C ATOM 1238 CG ASP A 79 64.906 -12.339 -5.292 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.513 -12.827 -4.246 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.172 -11.862 -6.141 1.00 0.00 O ATOM 0 H ASP A 79 68.792 -14.158 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 79 66.459 -14.507 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.957 -12.204 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.676 -11.480 -6.190 1.00 0.00 H new ATOM 1245 N GLY A 80 66.830 -14.493 -8.503 1.00 0.00 N ATOM 1246 CA GLY A 80 66.311 -14.608 -9.889 1.00 0.00 C ATOM 1247 C GLY A 80 66.279 -13.223 -10.538 1.00 0.00 C ATOM 1248 O GLY A 80 65.442 -12.936 -11.370 1.00 0.00 O ATOM 0 H GLY A 80 67.659 -15.053 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.943 -15.279 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.310 -15.040 -9.879 1.00 0.00 H new ATOM 1252 N ARG A 81 67.187 -12.361 -10.163 1.00 0.00 N ATOM 1253 CA ARG A 81 67.211 -10.995 -10.757 1.00 0.00 C ATOM 1254 C ARG A 81 68.457 -10.240 -10.285 1.00 0.00 C ATOM 1255 O ARG A 81 69.245 -10.748 -9.514 1.00 0.00 O ATOM 1256 CB ARG A 81 65.944 -10.315 -10.239 1.00 0.00 C ATOM 1257 CG ARG A 81 66.039 -10.143 -8.722 1.00 0.00 C ATOM 1258 CD ARG A 81 64.644 -9.889 -8.147 1.00 0.00 C ATOM 1259 NE ARG A 81 64.353 -8.463 -8.462 1.00 0.00 N ATOM 1260 CZ ARG A 81 63.312 -8.154 -9.186 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.132 -8.604 -8.856 1.00 0.00 N ATOM 1262 NH2 ARG A 81 63.450 -7.396 -10.238 1.00 0.00 N ATOM 0 H ARG A 81 67.913 -12.545 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 81 67.244 -11.017 -11.846 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.818 -9.344 -10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.068 -10.912 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 81 66.473 -11.036 -8.271 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.700 -9.311 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.905 -10.552 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.621 -10.069 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 81 64.967 -7.728 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.024 -9.197 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.318 -8.363 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 81 64.372 -7.044 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 81 62.636 -7.155 -10.803 1.00 0.00 H new ATOM 1276 N SER A 82 68.646 -9.035 -10.745 1.00 0.00 N ATOM 1277 CA SER A 82 69.841 -8.260 -10.324 1.00 0.00 C ATOM 1278 C SER A 82 69.477 -7.280 -9.205 1.00 0.00 C ATOM 1279 O SER A 82 68.554 -6.499 -9.327 1.00 0.00 O ATOM 1280 CB SER A 82 70.279 -7.500 -11.574 1.00 0.00 C ATOM 1281 OG SER A 82 69.541 -7.964 -12.698 1.00 0.00 O ATOM 0 H SER A 82 68.023 -8.555 -11.395 1.00 0.00 H new ATOM 0 HA SER A 82 70.631 -8.904 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.118 -6.431 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.346 -7.642 -11.743 1.00 0.00 H new ATOM 0 HG SER A 82 68.756 -7.393 -12.832 1.00 0.00 H new ATOM 1287 N VAL A 83 70.203 -7.307 -8.122 1.00 0.00 N ATOM 1288 CA VAL A 83 69.907 -6.369 -7.003 1.00 0.00 C ATOM 1289 C VAL A 83 70.487 -4.987 -7.320 1.00 0.00 C ATOM 1290 O VAL A 83 71.470 -4.865 -8.022 1.00 0.00 O ATOM 1291 CB VAL A 83 70.590 -6.981 -5.779 1.00 0.00 C ATOM 1292 CG1 VAL A 83 72.106 -6.971 -5.978 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.233 -6.163 -4.536 1.00 0.00 C ATOM 0 H VAL A 83 70.989 -7.938 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 83 68.838 -6.236 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 83 70.250 -8.008 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.590 -7.408 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 83 72.361 -7.554 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.449 -5.945 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.719 -6.598 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.573 -5.136 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.153 -6.172 -4.392 1.00 0.00 H new ATOM 1303 N SER A 84 69.877 -3.947 -6.822 1.00 0.00 N ATOM 1304 CA SER A 84 70.389 -2.575 -7.113 1.00 0.00 C ATOM 1305 C SER A 84 71.391 -2.127 -6.043 1.00 0.00 C ATOM 1306 O SER A 84 71.350 -2.568 -4.912 1.00 0.00 O ATOM 1307 CB SER A 84 69.150 -1.682 -7.093 1.00 0.00 C ATOM 1308 OG SER A 84 68.286 -2.053 -8.159 1.00 0.00 O ATOM 0 H SER A 84 69.049 -3.986 -6.228 1.00 0.00 H new ATOM 0 HA SER A 84 70.916 -2.531 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.632 -1.780 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.440 -0.636 -7.192 1.00 0.00 H new ATOM 0 HG SER A 84 68.360 -1.397 -8.883 1.00 0.00 H new ATOM 1314 N LEU A 85 72.287 -1.247 -6.401 1.00 0.00 N ATOM 1315 CA LEU A 85 73.298 -0.756 -5.418 1.00 0.00 C ATOM 1316 C LEU A 85 73.604 0.723 -5.678 1.00 0.00 C ATOM 1317 O LEU A 85 74.181 1.069 -6.689 1.00 0.00 O ATOM 1318 CB LEU A 85 74.542 -1.603 -5.677 1.00 0.00 C ATOM 1319 CG LEU A 85 74.462 -2.899 -4.874 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.205 -4.006 -5.622 1.00 0.00 C ATOM 1321 CD2 LEU A 85 75.110 -2.686 -3.504 1.00 0.00 C ATOM 0 H LEU A 85 72.363 -0.845 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 85 72.950 -0.840 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.625 -1.828 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.437 -1.046 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 85 73.418 -3.185 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.149 -4.932 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 85 74.747 -4.155 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.249 -3.721 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 85 75.055 -3.610 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.154 -2.402 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 85 74.583 -1.894 -2.972 1.00 0.00 H new ATOM 1333 N TYR A 86 73.217 1.599 -4.789 1.00 0.00 N ATOM 1334 CA TYR A 86 73.485 3.044 -5.012 1.00 0.00 C ATOM 1335 C TYR A 86 74.045 3.714 -3.753 1.00 0.00 C ATOM 1336 O TYR A 86 73.305 4.101 -2.870 1.00 0.00 O ATOM 1337 CB TYR A 86 72.121 3.636 -5.334 1.00 0.00 C ATOM 1338 CG TYR A 86 71.434 2.805 -6.388 1.00 0.00 C ATOM 1339 CD1 TYR A 86 72.139 2.385 -7.521 1.00 0.00 C ATOM 1340 CD2 TYR A 86 70.088 2.456 -6.231 1.00 0.00 C ATOM 1341 CE1 TYR A 86 71.497 1.616 -8.498 1.00 0.00 C ATOM 1342 CE2 TYR A 86 69.446 1.688 -7.207 1.00 0.00 C ATOM 1343 CZ TYR A 86 70.150 1.266 -8.341 1.00 0.00 C ATOM 1344 OH TYR A 86 69.518 0.507 -9.305 1.00 0.00 O ATOM 0 H TYR A 86 72.729 1.375 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 86 74.223 3.195 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 86 71.509 3.673 -4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 86 72.234 4.662 -5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 86 73.178 2.654 -7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.545 2.780 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 86 72.040 1.292 -9.373 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.407 1.420 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 86 70.171 -0.081 -9.739 1.00 0.00 H new ATOM 1354 N TYR A 87 75.337 3.871 -3.659 1.00 0.00 N ATOM 1355 CA TYR A 87 75.913 4.525 -2.482 1.00 0.00 C ATOM 1356 C TYR A 87 75.491 5.994 -2.436 1.00 0.00 C ATOM 1357 O TYR A 87 74.781 6.471 -3.298 1.00 0.00 O ATOM 1358 CB TYR A 87 77.416 4.376 -2.675 1.00 0.00 C ATOM 1359 CG TYR A 87 77.832 4.763 -4.077 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.585 6.055 -4.558 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.479 3.826 -4.891 1.00 0.00 C ATOM 1362 CE1 TYR A 87 77.983 6.406 -5.853 1.00 0.00 C ATOM 1363 CE2 TYR A 87 78.878 4.178 -6.185 1.00 0.00 C ATOM 1364 CZ TYR A 87 78.629 5.468 -6.667 1.00 0.00 C ATOM 1365 OH TYR A 87 79.022 5.816 -7.943 1.00 0.00 O ATOM 0 H TYR A 87 76.012 3.567 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 87 75.580 4.089 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 87 77.941 5.001 -1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 87 77.710 3.345 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.088 6.780 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.670 2.830 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 87 77.792 7.402 -6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 87 79.378 3.454 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 87 79.457 5.049 -8.372 1.00 0.00 H new ATOM 1375 N THR A 88 75.908 6.712 -1.431 1.00 0.00 N ATOM 1376 CA THR A 88 75.508 8.146 -1.333 1.00 0.00 C ATOM 1377 C THR A 88 76.334 8.863 -0.261 1.00 0.00 C ATOM 1378 O THR A 88 75.835 9.209 0.792 1.00 0.00 O ATOM 1379 CB THR A 88 74.026 8.121 -0.940 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.685 9.350 -0.315 1.00 0.00 O ATOM 1381 CG2 THR A 88 73.759 6.963 0.030 1.00 0.00 C ATOM 0 H THR A 88 76.505 6.372 -0.677 1.00 0.00 H new ATOM 0 HA THR A 88 75.675 8.681 -2.268 1.00 0.00 H new ATOM 0 HB THR A 88 73.420 7.982 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.209 9.456 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.704 6.953 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 88 74.018 6.019 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.365 7.092 0.927 1.00 0.00 H new