USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 SER OG : rot -51:sc= -0.764 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.49 K(o=-1.3,f=-2.2) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot -140:sc= -0.316 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.371 K(o=0.37,f=-0.2) USER MOD Single : A 32 ASN : amide:sc= -2.67! C(o=-2.7!,f=-15!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 176:sc= 0.26 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 53:sc= -1.07 USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= 1.07 (180deg=0.882) USER MOD Single : A 50 SER OG : rot -150:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.377 K(o=0.38,f=-0.14) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.977) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= 0.897 (180deg=0.492!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0574 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.626 -1.094 -3.457 1.00 45.43 N ATOM 282 CA LEU A 19 -13.337 -1.119 -2.758 1.00 24.40 C ATOM 283 C LEU A 19 -13.347 -0.127 -1.588 1.00 72.21 C ATOM 284 O LEU A 19 -13.658 1.052 -1.770 1.00 45.54 O ATOM 285 CB LEU A 19 -12.196 -0.779 -3.727 1.00 61.35 C ATOM 286 CG LEU A 19 -11.937 -1.813 -4.832 1.00 60.14 C ATOM 287 CD1 LEU A 19 -10.856 -1.322 -5.794 1.00 21.51 C ATOM 288 CD2 LEU A 19 -11.548 -3.156 -4.224 1.00 11.23 C ATOM 0 HA LEU A 19 -13.176 -2.123 -2.366 1.00 24.40 H new ATOM 0 HB2 LEU A 19 -12.414 0.181 -4.196 1.00 61.35 H new ATOM 0 HB3 LEU A 19 -11.279 -0.651 -3.151 1.00 61.35 H new ATOM 0 HG LEU A 19 -12.858 -1.945 -5.399 1.00 60.14 H new ATOM 0 HD11 LEU A 19 -10.690 -2.071 -6.568 1.00 21.51 H new ATOM 0 HD12 LEU A 19 -11.177 -0.388 -6.256 1.00 21.51 H new ATOM 0 HD13 LEU A 19 -9.929 -1.156 -5.245 1.00 21.51 H new ATOM 0 HD21 LEU A 19 -11.368 -3.878 -5.021 1.00 11.23 H new ATOM 0 HD22 LEU A 19 -10.642 -3.038 -3.630 1.00 11.23 H new ATOM 0 HD23 LEU A 19 -12.356 -3.514 -3.586 1.00 11.23 H new ATOM 300 N LYS A 20 -13.019 -0.600 -0.386 1.00 62.12 N ATOM 301 CA LYS A 20 -13.035 0.262 0.807 1.00 71.01 C ATOM 302 C LYS A 20 -11.711 0.205 1.586 1.00 44.32 C ATOM 303 O LYS A 20 -11.168 -0.872 1.843 1.00 55.55 O ATOM 304 CB LYS A 20 -14.206 -0.115 1.729 1.00 71.42 C ATOM 305 CG LYS A 20 -15.577 0.059 1.076 1.00 73.14 C ATOM 306 CD LYS A 20 -16.719 -0.120 2.072 1.00 63.54 C ATOM 307 CE LYS A 20 -16.717 -1.502 2.718 1.00 71.53 C ATOM 308 NZ LYS A 20 -17.862 -1.674 3.651 1.00 4.21 N ATOM 0 H LYS A 20 -12.741 -1.565 -0.208 1.00 62.12 H new ATOM 0 HA LYS A 20 -13.165 1.286 0.458 1.00 71.01 H new ATOM 0 HB2 LYS A 20 -14.091 -1.152 2.043 1.00 71.42 H new ATOM 0 HB3 LYS A 20 -14.161 0.498 2.629 1.00 71.42 H new ATOM 0 HG2 LYS A 20 -15.640 1.051 0.628 1.00 73.14 H new ATOM 0 HG3 LYS A 20 -15.686 -0.664 0.267 1.00 73.14 H new ATOM 0 HD2 LYS A 20 -16.643 0.641 2.849 1.00 63.54 H new ATOM 0 HD3 LYS A 20 -17.670 0.039 1.563 1.00 63.54 H new ATOM 0 HE2 LYS A 20 -16.762 -2.266 1.942 1.00 71.53 H new ATOM 0 HE3 LYS A 20 -15.782 -1.650 3.258 1.00 71.53 H new ATOM 0 HZ1 LYS A 20 -17.828 -2.625 4.071 1.00 4.21 H new ATOM 0 HZ2 LYS A 20 -17.806 -0.960 4.405 1.00 4.21 H new ATOM 0 HZ3 LYS A 20 -18.755 -1.558 3.130 1.00 4.21 H new ATOM 322 N PHE A 21 -11.207 1.381 1.956 1.00 73.02 N ATOM 323 CA PHE A 21 -9.968 1.502 2.734 1.00 51.52 C ATOM 324 C PHE A 21 -10.202 1.193 4.218 1.00 45.22 C ATOM 325 O PHE A 21 -10.915 1.922 4.906 1.00 51.24 O ATOM 326 CB PHE A 21 -9.397 2.923 2.576 1.00 34.23 C ATOM 327 CG PHE A 21 -8.246 3.238 3.503 1.00 71.21 C ATOM 328 CD1 PHE A 21 -6.996 2.674 3.301 1.00 74.45 C ATOM 329 CD2 PHE A 21 -8.417 4.106 4.575 1.00 50.33 C ATOM 330 CE1 PHE A 21 -5.944 2.965 4.148 1.00 70.43 C ATOM 331 CE2 PHE A 21 -7.367 4.399 5.424 1.00 22.14 C ATOM 332 CZ PHE A 21 -6.128 3.828 5.210 1.00 23.01 C ATOM 0 H PHE A 21 -11.641 2.275 1.728 1.00 73.02 H new ATOM 0 HA PHE A 21 -9.254 0.773 2.352 1.00 51.52 H new ATOM 0 HB2 PHE A 21 -9.066 3.056 1.546 1.00 34.23 H new ATOM 0 HB3 PHE A 21 -10.196 3.644 2.750 1.00 34.23 H new ATOM 0 HD1 PHE A 21 -6.843 1.999 2.472 1.00 74.45 H new ATOM 0 HD2 PHE A 21 -9.383 4.557 4.747 1.00 50.33 H new ATOM 0 HE1 PHE A 21 -4.976 2.517 3.979 1.00 70.43 H new ATOM 0 HE2 PHE A 21 -7.515 5.074 6.254 1.00 22.14 H new ATOM 0 HZ PHE A 21 -5.305 4.056 5.871 1.00 23.01 H new ATOM 342 N SER A 22 -9.598 0.116 4.713 1.00 64.33 N ATOM 343 CA SER A 22 -9.729 -0.254 6.130 1.00 54.11 C ATOM 344 C SER A 22 -8.535 0.236 6.962 1.00 3.21 C ATOM 345 O SER A 22 -8.694 1.057 7.866 1.00 42.31 O ATOM 346 CB SER A 22 -9.879 -1.772 6.283 1.00 30.43 C ATOM 347 OG SER A 22 -11.068 -2.236 5.666 1.00 40.03 O ATOM 0 H SER A 22 -9.016 -0.516 4.163 1.00 64.33 H new ATOM 0 HA SER A 22 -10.627 0.236 6.506 1.00 54.11 H new ATOM 0 HB2 SER A 22 -9.018 -2.271 5.839 1.00 30.43 H new ATOM 0 HB3 SER A 22 -9.889 -2.034 7.341 1.00 30.43 H new ATOM 0 HG SER A 22 -11.829 -1.704 5.980 1.00 40.03 H new ATOM 353 N ALA A 23 -7.336 -0.263 6.654 1.00 72.45 N ATOM 354 CA ALA A 23 -6.136 0.091 7.426 1.00 44.04 C ATOM 355 C ALA A 23 -4.839 -0.132 6.631 1.00 64.04 C ATOM 356 O ALA A 23 -4.850 -0.711 5.543 1.00 24.23 O ATOM 357 CB ALA A 23 -6.098 -0.711 8.724 1.00 55.13 C ATOM 0 H ALA A 23 -7.167 -0.908 5.882 1.00 72.45 H new ATOM 0 HA ALA A 23 -6.197 1.156 7.650 1.00 44.04 H new ATOM 0 HB1 ALA A 23 -5.206 -0.444 9.291 1.00 55.13 H new ATOM 0 HB2 ALA A 23 -6.985 -0.487 9.316 1.00 55.13 H new ATOM 0 HB3 ALA A 23 -6.075 -1.776 8.493 1.00 55.13 H new ATOM 363 N LEU A 24 -3.724 0.337 7.191 1.00 11.51 N ATOM 364 CA LEU A 24 -2.401 0.136 6.589 1.00 75.33 C ATOM 365 C LEU A 24 -1.832 -1.244 6.965 1.00 64.33 C ATOM 366 O LEU A 24 -1.891 -1.655 8.126 1.00 24.21 O ATOM 367 CB LEU A 24 -1.444 1.248 7.050 1.00 54.23 C ATOM 368 CG LEU A 24 -0.030 1.200 6.450 1.00 14.12 C ATOM 369 CD1 LEU A 24 -0.083 1.385 4.938 1.00 35.04 C ATOM 370 CD2 LEU A 24 0.864 2.258 7.099 1.00 73.33 C ATOM 0 H LEU A 24 -3.709 0.862 8.065 1.00 11.51 H new ATOM 0 HA LEU A 24 -2.504 0.177 5.505 1.00 75.33 H new ATOM 0 HB2 LEU A 24 -1.891 2.212 6.805 1.00 54.23 H new ATOM 0 HB3 LEU A 24 -1.360 1.203 8.136 1.00 54.23 H new ATOM 0 HG LEU A 24 0.400 0.220 6.656 1.00 14.12 H new ATOM 0 HD11 LEU A 24 0.928 1.348 4.531 1.00 35.04 H new ATOM 0 HD12 LEU A 24 -0.682 0.589 4.495 1.00 35.04 H new ATOM 0 HD13 LEU A 24 -0.533 2.350 4.705 1.00 35.04 H new ATOM 0 HD21 LEU A 24 1.861 2.209 6.662 1.00 73.33 H new ATOM 0 HD22 LEU A 24 0.440 3.247 6.927 1.00 73.33 H new ATOM 0 HD23 LEU A 24 0.928 2.072 8.171 1.00 73.33 H new ATOM 382 N ARG A 25 -1.285 -1.955 5.981 1.00 31.01 N ATOM 383 CA ARG A 25 -0.737 -3.296 6.213 1.00 4.21 C ATOM 384 C ARG A 25 0.729 -3.238 6.679 1.00 60.53 C ATOM 385 O ARG A 25 1.065 -3.728 7.760 1.00 15.42 O ATOM 386 CB ARG A 25 -0.853 -4.136 4.931 1.00 4.33 C ATOM 387 CG ARG A 25 -0.327 -5.565 5.065 1.00 43.32 C ATOM 388 CD ARG A 25 -1.110 -6.381 6.091 1.00 64.40 C ATOM 389 NE ARG A 25 -0.552 -7.725 6.261 1.00 61.42 N ATOM 390 CZ ARG A 25 -1.077 -8.654 7.019 1.00 10.43 C ATOM 391 NH1 ARG A 25 -2.205 -8.457 7.617 1.00 55.35 N ATOM 392 NH2 ARG A 25 -0.484 -9.795 7.157 1.00 23.52 N ATOM 0 H ARG A 25 -1.208 -1.629 5.018 1.00 31.01 H new ATOM 0 HA ARG A 25 -1.318 -3.763 7.008 1.00 4.21 H new ATOM 0 HB2 ARG A 25 -1.900 -4.173 4.629 1.00 4.33 H new ATOM 0 HB3 ARG A 25 -0.308 -3.634 4.131 1.00 4.33 H new ATOM 0 HG2 ARG A 25 -0.378 -6.060 4.095 1.00 43.32 H new ATOM 0 HG3 ARG A 25 0.724 -5.537 5.353 1.00 43.32 H new ATOM 0 HD2 ARG A 25 -1.104 -5.861 7.049 1.00 64.40 H new ATOM 0 HD3 ARG A 25 -2.151 -6.457 5.776 1.00 64.40 H new ATOM 0 HE ARG A 25 0.304 -7.952 5.754 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -2.696 -7.570 7.501 1.00 55.35 H new ATOM 0 HH12 ARG A 25 -2.605 -9.188 8.205 1.00 55.35 H new ATOM 0 HH21 ARG A 25 0.396 -9.974 6.674 1.00 23.52 H new ATOM 0 HH22 ARG A 25 -0.897 -10.516 7.749 1.00 23.52 H new ATOM 406 N ARG A 26 1.598 -2.638 5.859 1.00 64.44 N ATOM 407 CA ARG A 26 3.037 -2.547 6.176 1.00 1.03 C ATOM 408 C ARG A 26 3.796 -1.659 5.174 1.00 51.35 C ATOM 409 O ARG A 26 3.572 -1.734 3.966 1.00 1.31 O ATOM 410 CB ARG A 26 3.673 -3.954 6.211 1.00 25.52 C ATOM 411 CG ARG A 26 5.205 -3.955 6.187 1.00 2.31 C ATOM 412 CD ARG A 26 5.784 -5.353 6.402 1.00 11.13 C ATOM 413 NE ARG A 26 5.663 -5.789 7.797 1.00 24.00 N ATOM 414 CZ ARG A 26 5.240 -6.966 8.175 1.00 32.03 C ATOM 415 NH1 ARG A 26 4.864 -7.852 7.305 1.00 32.23 N ATOM 416 NH2 ARG A 26 5.205 -7.254 9.438 1.00 33.21 N ATOM 0 H ARG A 26 1.336 -2.208 4.972 1.00 64.44 H new ATOM 0 HA ARG A 26 3.118 -2.085 7.160 1.00 1.03 H new ATOM 0 HB2 ARG A 26 3.335 -4.470 7.110 1.00 25.52 H new ATOM 0 HB3 ARG A 26 3.308 -4.526 5.358 1.00 25.52 H new ATOM 0 HG2 ARG A 26 5.552 -3.563 5.231 1.00 2.31 H new ATOM 0 HG3 ARG A 26 5.579 -3.285 6.961 1.00 2.31 H new ATOM 0 HD2 ARG A 26 5.269 -6.062 5.754 1.00 11.13 H new ATOM 0 HD3 ARG A 26 6.834 -5.359 6.110 1.00 11.13 H new ATOM 0 HE ARG A 26 5.928 -5.125 8.525 1.00 24.00 H new ATOM 0 HH11 ARG A 26 4.896 -7.634 6.309 1.00 32.23 H new ATOM 0 HH12 ARG A 26 4.536 -8.766 7.617 1.00 32.23 H new ATOM 0 HH21 ARG A 26 5.506 -6.565 10.127 1.00 33.21 H new ATOM 0 HH22 ARG A 26 4.876 -8.170 9.743 1.00 33.21 H new ATOM 430 N GLU A 27 4.690 -0.815 5.691 1.00 3.42 N ATOM 431 CA GLU A 27 5.600 -0.024 4.852 1.00 23.51 C ATOM 432 C GLU A 27 6.950 -0.753 4.703 1.00 65.14 C ATOM 433 O GLU A 27 7.716 -0.846 5.663 1.00 45.54 O ATOM 434 CB GLU A 27 5.828 1.365 5.474 1.00 73.31 C ATOM 435 CG GLU A 27 4.550 2.175 5.669 1.00 31.33 C ATOM 436 CD GLU A 27 4.801 3.532 6.319 1.00 25.14 C ATOM 437 OE1 GLU A 27 4.800 3.611 7.562 1.00 42.23 O ATOM 438 OE2 GLU A 27 4.991 4.524 5.583 1.00 34.04 O ATOM 0 H GLU A 27 4.806 -0.659 6.692 1.00 3.42 H new ATOM 0 HA GLU A 27 5.147 0.098 3.868 1.00 23.51 H new ATOM 0 HB2 GLU A 27 6.320 1.243 6.439 1.00 73.31 H new ATOM 0 HB3 GLU A 27 6.510 1.929 4.838 1.00 73.31 H new ATOM 0 HG2 GLU A 27 4.069 2.324 4.702 1.00 31.33 H new ATOM 0 HG3 GLU A 27 3.855 1.605 6.286 1.00 31.33 H new ATOM 445 N VAL A 28 7.235 -1.279 3.513 1.00 2.11 N ATOM 446 CA VAL A 28 8.481 -2.025 3.290 1.00 22.11 C ATOM 447 C VAL A 28 9.679 -1.075 3.123 1.00 61.40 C ATOM 448 O VAL A 28 9.700 -0.226 2.227 1.00 15.13 O ATOM 449 CB VAL A 28 8.377 -2.980 2.068 1.00 23.41 C ATOM 450 CG1 VAL A 28 7.309 -4.046 2.311 1.00 64.34 C ATOM 451 CG2 VAL A 28 8.086 -2.215 0.774 1.00 72.35 C ATOM 0 H VAL A 28 6.631 -1.206 2.695 1.00 2.11 H new ATOM 0 HA VAL A 28 8.644 -2.636 4.178 1.00 22.11 H new ATOM 0 HB VAL A 28 9.344 -3.470 1.950 1.00 23.41 H new ATOM 0 HG11 VAL A 28 7.250 -4.706 1.445 1.00 64.34 H new ATOM 0 HG12 VAL A 28 7.571 -4.629 3.194 1.00 64.34 H new ATOM 0 HG13 VAL A 28 6.344 -3.565 2.467 1.00 64.34 H new ATOM 0 HG21 VAL A 28 8.021 -2.917 -0.057 1.00 72.35 H new ATOM 0 HG22 VAL A 28 7.141 -1.680 0.872 1.00 72.35 H new ATOM 0 HG23 VAL A 28 8.889 -1.502 0.584 1.00 72.35 H new ATOM 461 N ARG A 29 10.676 -1.213 3.994 1.00 3.12 N ATOM 462 CA ARG A 29 11.816 -0.291 4.015 1.00 24.21 C ATOM 463 C ARG A 29 13.079 -0.912 3.400 1.00 31.05 C ATOM 464 O ARG A 29 13.069 -2.049 2.923 1.00 63.45 O ATOM 465 CB ARG A 29 12.093 0.179 5.453 1.00 32.34 C ATOM 466 CG ARG A 29 10.889 0.841 6.122 1.00 24.35 C ATOM 467 CD ARG A 29 11.279 1.561 7.408 1.00 51.55 C ATOM 468 NE ARG A 29 11.957 0.686 8.357 1.00 73.05 N ATOM 469 CZ ARG A 29 12.560 1.111 9.435 1.00 0.43 C ATOM 470 NH1 ARG A 29 12.507 2.358 9.768 1.00 12.35 N ATOM 471 NH2 ARG A 29 13.192 0.289 10.199 1.00 14.30 N ATOM 0 H ARG A 29 10.720 -1.953 4.695 1.00 3.12 H new ATOM 0 HA ARG A 29 11.550 0.569 3.400 1.00 24.21 H new ATOM 0 HB2 ARG A 29 12.406 -0.676 6.052 1.00 32.34 H new ATOM 0 HB3 ARG A 29 12.925 0.883 5.442 1.00 32.34 H new ATOM 0 HG2 ARG A 29 10.435 1.552 5.431 1.00 24.35 H new ATOM 0 HG3 ARG A 29 10.135 0.085 6.343 1.00 24.35 H new ATOM 0 HD2 ARG A 29 11.929 2.402 7.166 1.00 51.55 H new ATOM 0 HD3 ARG A 29 10.384 1.973 7.875 1.00 51.55 H new ATOM 0 HE ARG A 29 11.961 -0.316 8.168 1.00 73.05 H new ATOM 0 HH11 ARG A 29 11.991 3.019 9.187 1.00 12.35 H new ATOM 0 HH12 ARG A 29 12.981 2.681 10.611 1.00 12.35 H new ATOM 0 HH21 ARG A 29 13.225 -0.703 9.964 1.00 14.30 H new ATOM 0 HH22 ARG A 29 13.660 0.630 11.039 1.00 14.30 H new ATOM 485 N ILE A 30 14.166 -0.148 3.411 1.00 32.33 N ATOM 486 CA ILE A 30 15.426 -0.557 2.780 1.00 64.15 C ATOM 487 C ILE A 30 16.426 -1.116 3.809 1.00 2.00 C ATOM 488 O ILE A 30 16.830 -0.410 4.732 1.00 12.41 O ATOM 489 CB ILE A 30 16.077 0.651 2.061 1.00 24.02 C ATOM 490 CG1 ILE A 30 15.064 1.307 1.107 1.00 31.42 C ATOM 491 CG2 ILE A 30 17.335 0.219 1.308 1.00 55.23 C ATOM 492 CD1 ILE A 30 15.572 2.562 0.427 1.00 60.23 C ATOM 0 H ILE A 30 14.204 0.770 3.855 1.00 32.33 H new ATOM 0 HA ILE A 30 15.188 -1.343 2.063 1.00 64.15 H new ATOM 0 HB ILE A 30 16.372 1.386 2.810 1.00 24.02 H new ATOM 0 HG12 ILE A 30 14.780 0.583 0.343 1.00 31.42 H new ATOM 0 HG13 ILE A 30 14.161 1.551 1.666 1.00 31.42 H new ATOM 0 HG21 ILE A 30 17.776 1.083 0.810 1.00 55.23 H new ATOM 0 HG22 ILE A 30 18.054 -0.201 2.012 1.00 55.23 H new ATOM 0 HG23 ILE A 30 17.073 -0.534 0.564 1.00 55.23 H new ATOM 0 HD11 ILE A 30 14.797 2.960 -0.227 1.00 60.23 H new ATOM 0 HD12 ILE A 30 15.828 3.306 1.181 1.00 60.23 H new ATOM 0 HD13 ILE A 30 16.457 2.323 -0.163 1.00 60.23 H new ATOM 504 N GLN A 31 16.823 -2.382 3.656 1.00 54.35 N ATOM 505 CA GLN A 31 17.854 -2.966 4.523 1.00 35.42 C ATOM 506 C GLN A 31 19.261 -2.657 3.984 1.00 45.43 C ATOM 507 O GLN A 31 19.624 -3.069 2.879 1.00 41.32 O ATOM 508 CB GLN A 31 17.646 -4.482 4.679 1.00 55.03 C ATOM 509 CG GLN A 31 18.659 -5.141 5.616 1.00 21.35 C ATOM 510 CD GLN A 31 18.268 -6.549 6.037 1.00 42.03 C ATOM 511 OE1 GLN A 31 17.601 -7.280 5.308 1.00 14.43 O ATOM 512 NE2 GLN A 31 18.679 -6.940 7.225 1.00 64.04 N ATOM 0 H GLN A 31 16.452 -3.017 2.949 1.00 54.35 H new ATOM 0 HA GLN A 31 17.763 -2.511 5.509 1.00 35.42 H new ATOM 0 HB2 GLN A 31 16.640 -4.666 5.056 1.00 55.03 H new ATOM 0 HB3 GLN A 31 17.710 -4.953 3.698 1.00 55.03 H new ATOM 0 HG2 GLN A 31 19.630 -5.174 5.123 1.00 21.35 H new ATOM 0 HG3 GLN A 31 18.775 -4.523 6.506 1.00 21.35 H new ATOM 0 HE21 GLN A 31 19.231 -6.310 7.807 1.00 64.04 H new ATOM 0 HE22 GLN A 31 18.445 -7.873 7.564 1.00 64.04 H new ATOM 521 N ASN A 32 20.043 -1.937 4.783 1.00 23.24 N ATOM 522 CA ASN A 32 21.347 -1.411 4.358 1.00 65.33 C ATOM 523 C ASN A 32 22.432 -2.494 4.277 1.00 4.11 C ATOM 524 O ASN A 32 22.266 -3.608 4.779 1.00 15.33 O ATOM 525 CB ASN A 32 21.798 -0.320 5.333 1.00 71.34 C ATOM 526 CG ASN A 32 20.814 0.828 5.406 1.00 15.45 C ATOM 527 OD1 ASN A 32 19.619 0.648 5.229 1.00 70.00 O ATOM 528 ND2 ASN A 32 21.308 2.018 5.671 1.00 64.40 N ATOM 0 H ASN A 32 19.796 -1.699 5.744 1.00 23.24 H new ATOM 0 HA ASN A 32 21.216 -1.007 3.354 1.00 65.33 H new ATOM 0 HB2 ASN A 32 21.923 -0.752 6.326 1.00 71.34 H new ATOM 0 HB3 ASN A 32 22.773 0.059 5.025 1.00 71.34 H new ATOM 0 HD21 ASN A 32 20.688 2.825 5.734 1.00 64.40 H new ATOM 0 HD22 ASN A 32 22.311 2.133 5.814 1.00 64.40 H new ATOM 535 N GLU A 33 23.561 -2.142 3.656 1.00 70.32 N ATOM 536 CA GLU A 33 24.718 -3.042 3.567 1.00 12.32 C ATOM 537 C GLU A 33 25.421 -3.172 4.924 1.00 62.31 C ATOM 538 O GLU A 33 26.293 -4.021 5.113 1.00 31.55 O ATOM 539 CB GLU A 33 25.703 -2.540 2.503 1.00 10.12 C ATOM 540 CG GLU A 33 25.107 -2.454 1.100 1.00 4.20 C ATOM 541 CD GLU A 33 24.612 -3.797 0.582 1.00 43.32 C ATOM 542 OE1 GLU A 33 25.415 -4.544 -0.016 1.00 62.31 O ATOM 543 OE2 GLU A 33 23.420 -4.118 0.776 1.00 25.54 O ATOM 0 H GLU A 33 23.700 -1.238 3.206 1.00 70.32 H new ATOM 0 HA GLU A 33 24.358 -4.029 3.276 1.00 12.32 H new ATOM 0 HB2 GLU A 33 26.066 -1.554 2.794 1.00 10.12 H new ATOM 0 HB3 GLU A 33 26.567 -3.204 2.480 1.00 10.12 H new ATOM 0 HG2 GLU A 33 24.279 -1.745 1.106 1.00 4.20 H new ATOM 0 HG3 GLU A 33 25.858 -2.061 0.415 1.00 4.20 H new ATOM 550 N ASP A 34 25.044 -2.307 5.861 1.00 11.52 N ATOM 551 CA ASP A 34 25.508 -2.400 7.245 1.00 51.12 C ATOM 552 C ASP A 34 24.915 -3.637 7.937 1.00 51.33 C ATOM 553 O ASP A 34 25.543 -4.248 8.804 1.00 72.02 O ATOM 554 CB ASP A 34 25.099 -1.139 8.014 1.00 33.21 C ATOM 555 CG ASP A 34 25.548 0.134 7.322 1.00 31.34 C ATOM 556 OD1 ASP A 34 26.687 0.578 7.563 1.00 22.24 O ATOM 557 OD2 ASP A 34 24.762 0.694 6.528 1.00 14.24 O ATOM 0 H ASP A 34 24.412 -1.526 5.686 1.00 11.52 H new ATOM 0 HA ASP A 34 26.594 -2.491 7.238 1.00 51.12 H new ATOM 0 HB2 ASP A 34 24.015 -1.123 8.130 1.00 33.21 H new ATOM 0 HB3 ASP A 34 25.526 -1.174 9.016 1.00 33.21 H new ATOM 562 N GLY A 35 23.698 -4.001 7.534 1.00 43.21 N ATOM 563 CA GLY A 35 22.961 -5.077 8.189 1.00 40.51 C ATOM 564 C GLY A 35 21.672 -4.577 8.829 1.00 33.33 C ATOM 565 O GLY A 35 20.672 -5.300 8.889 1.00 64.33 O ATOM 0 H GLY A 35 23.203 -3.565 6.756 1.00 43.21 H new ATOM 0 HA2 GLY A 35 22.727 -5.853 7.460 1.00 40.51 H new ATOM 0 HA3 GLY A 35 23.590 -5.536 8.951 1.00 40.51 H new ATOM 569 N SER A 36 21.704 -3.340 9.318 1.00 53.12 N ATOM 570 CA SER A 36 20.519 -2.692 9.893 1.00 22.44 C ATOM 571 C SER A 36 19.613 -2.111 8.795 1.00 4.24 C ATOM 572 O SER A 36 20.053 -1.867 7.670 1.00 54.12 O ATOM 573 CB SER A 36 20.938 -1.585 10.872 1.00 3.45 C ATOM 574 OG SER A 36 21.836 -0.661 10.265 1.00 64.03 O ATOM 0 H SER A 36 22.542 -2.759 9.329 1.00 53.12 H new ATOM 0 HA SER A 36 19.953 -3.450 10.434 1.00 22.44 H new ATOM 0 HB2 SER A 36 20.053 -1.055 11.224 1.00 3.45 H new ATOM 0 HB3 SER A 36 21.411 -2.032 11.747 1.00 3.45 H new ATOM 0 HG SER A 36 22.081 0.031 10.914 1.00 64.03 H new ATOM 580 N VAL A 37 18.340 -1.894 9.123 1.00 62.34 N ATOM 581 CA VAL A 37 17.362 -1.384 8.150 1.00 55.32 C ATOM 582 C VAL A 37 17.242 0.149 8.211 1.00 72.00 C ATOM 583 O VAL A 37 16.979 0.718 9.272 1.00 42.31 O ATOM 584 CB VAL A 37 15.957 -2.004 8.380 1.00 52.25 C ATOM 585 CG1 VAL A 37 14.982 -1.572 7.284 1.00 2.15 C ATOM 586 CG2 VAL A 37 16.046 -3.530 8.466 1.00 43.53 C ATOM 0 H VAL A 37 17.957 -2.062 10.053 1.00 62.34 H new ATOM 0 HA VAL A 37 17.730 -1.674 7.166 1.00 55.32 H new ATOM 0 HB VAL A 37 15.574 -1.634 9.331 1.00 52.25 H new ATOM 0 HG11 VAL A 37 14.006 -2.020 7.468 1.00 2.15 H new ATOM 0 HG12 VAL A 37 14.889 -0.486 7.287 1.00 2.15 H new ATOM 0 HG13 VAL A 37 15.355 -1.902 6.314 1.00 2.15 H new ATOM 0 HG21 VAL A 37 15.051 -3.944 8.627 1.00 43.53 H new ATOM 0 HG22 VAL A 37 16.456 -3.924 7.536 1.00 43.53 H new ATOM 0 HG23 VAL A 37 16.694 -3.810 9.296 1.00 43.53 H new ATOM 596 N SER A 38 17.434 0.808 7.070 1.00 22.44 N ATOM 597 CA SER A 38 17.253 2.264 6.972 1.00 23.25 C ATOM 598 C SER A 38 15.791 2.661 7.189 1.00 31.22 C ATOM 599 O SER A 38 14.874 1.888 6.910 1.00 42.13 O ATOM 600 CB SER A 38 17.702 2.779 5.598 1.00 31.51 C ATOM 601 OG SER A 38 17.472 4.175 5.466 1.00 73.21 O ATOM 0 H SER A 38 17.715 0.361 6.197 1.00 22.44 H new ATOM 0 HA SER A 38 17.866 2.713 7.753 1.00 23.25 H new ATOM 0 HB2 SER A 38 18.762 2.569 5.458 1.00 31.51 H new ATOM 0 HB3 SER A 38 17.165 2.245 4.814 1.00 31.51 H new ATOM 0 HG SER A 38 17.829 4.486 4.608 1.00 73.21 H new ATOM 607 N ASP A 39 15.577 3.877 7.673 1.00 60.14 N ATOM 608 CA ASP A 39 14.228 4.406 7.857 1.00 25.35 C ATOM 609 C ASP A 39 13.624 4.863 6.514 1.00 10.14 C ATOM 610 O ASP A 39 12.473 5.307 6.449 1.00 54.04 O ATOM 611 CB ASP A 39 14.266 5.548 8.873 1.00 61.13 C ATOM 612 CG ASP A 39 14.870 5.095 10.195 1.00 51.42 C ATOM 613 OD1 ASP A 39 16.113 5.089 10.317 1.00 34.14 O ATOM 614 OD2 ASP A 39 14.111 4.705 11.107 1.00 0.31 O ATOM 0 H ASP A 39 16.321 4.519 7.947 1.00 60.14 H new ATOM 0 HA ASP A 39 13.583 3.617 8.242 1.00 25.35 H new ATOM 0 HB2 ASP A 39 14.849 6.376 8.470 1.00 61.13 H new ATOM 0 HB3 ASP A 39 13.256 5.921 9.042 1.00 61.13 H new ATOM 619 N GLU A 40 14.413 4.745 5.444 1.00 3.55 N ATOM 620 CA GLU A 40 13.945 5.023 4.084 1.00 45.41 C ATOM 621 C GLU A 40 13.026 3.896 3.585 1.00 35.24 C ATOM 622 O GLU A 40 13.262 2.717 3.858 1.00 53.32 O ATOM 623 CB GLU A 40 15.140 5.187 3.135 1.00 73.03 C ATOM 624 CG GLU A 40 16.090 6.314 3.525 1.00 43.21 C ATOM 625 CD GLU A 40 17.303 6.392 2.613 1.00 1.31 C ATOM 626 OE1 GLU A 40 17.204 7.026 1.542 1.00 71.54 O ATOM 627 OE2 GLU A 40 18.356 5.808 2.957 1.00 12.22 O ATOM 0 H GLU A 40 15.390 4.455 5.495 1.00 3.55 H new ATOM 0 HA GLU A 40 13.375 5.952 4.101 1.00 45.41 H new ATOM 0 HB2 GLU A 40 15.697 4.251 3.103 1.00 73.03 H new ATOM 0 HB3 GLU A 40 14.768 5.371 2.127 1.00 73.03 H new ATOM 0 HG2 GLU A 40 15.555 7.263 3.495 1.00 43.21 H new ATOM 0 HG3 GLU A 40 16.421 6.167 4.553 1.00 43.21 H new ATOM 634 N ILE A 41 11.987 4.261 2.841 1.00 70.15 N ATOM 635 CA ILE A 41 10.957 3.304 2.417 1.00 62.31 C ATOM 636 C ILE A 41 11.045 2.988 0.915 1.00 74.45 C ATOM 637 O ILE A 41 11.364 3.856 0.100 1.00 43.35 O ATOM 638 CB ILE A 41 9.542 3.858 2.736 1.00 65.24 C ATOM 639 CG1 ILE A 41 9.428 4.214 4.229 1.00 40.42 C ATOM 640 CG2 ILE A 41 8.456 2.852 2.342 1.00 61.10 C ATOM 641 CD1 ILE A 41 8.112 4.860 4.606 1.00 22.31 C ATOM 0 H ILE A 41 11.831 5.215 2.515 1.00 70.15 H new ATOM 0 HA ILE A 41 11.132 2.382 2.971 1.00 62.31 H new ATOM 0 HB ILE A 41 9.393 4.764 2.148 1.00 65.24 H new ATOM 0 HG12 ILE A 41 9.559 3.307 4.820 1.00 40.42 H new ATOM 0 HG13 ILE A 41 10.242 4.888 4.495 1.00 40.42 H new ATOM 0 HG21 ILE A 41 7.475 3.265 2.576 1.00 61.10 H new ATOM 0 HG22 ILE A 41 8.519 2.649 1.273 1.00 61.10 H new ATOM 0 HG23 ILE A 41 8.601 1.925 2.896 1.00 61.10 H new ATOM 0 HD11 ILE A 41 8.108 5.081 5.673 1.00 22.31 H new ATOM 0 HD12 ILE A 41 7.986 5.785 4.043 1.00 22.31 H new ATOM 0 HD13 ILE A 41 7.293 4.180 4.373 1.00 22.31 H new ATOM 653 N LYS A 42 10.773 1.733 0.558 1.00 25.23 N ATOM 654 CA LYS A 42 10.641 1.334 -0.846 1.00 1.43 C ATOM 655 C LYS A 42 9.193 1.518 -1.327 1.00 44.14 C ATOM 656 O LYS A 42 8.927 2.257 -2.280 1.00 0.24 O ATOM 657 CB LYS A 42 11.043 -0.140 -1.030 1.00 33.21 C ATOM 658 CG LYS A 42 12.545 -0.411 -0.974 1.00 53.15 C ATOM 659 CD LYS A 42 13.276 0.180 -2.180 1.00 42.12 C ATOM 660 CE LYS A 42 14.727 -0.291 -2.248 1.00 64.24 C ATOM 661 NZ LYS A 42 15.452 0.299 -3.405 1.00 71.04 N ATOM 0 H LYS A 42 10.639 0.972 1.223 1.00 25.23 H new ATOM 0 HA LYS A 42 11.303 1.968 -1.435 1.00 1.43 H new ATOM 0 HB2 LYS A 42 10.553 -0.734 -0.258 1.00 33.21 H new ATOM 0 HB3 LYS A 42 10.662 -0.488 -1.990 1.00 33.21 H new ATOM 0 HG2 LYS A 42 12.956 0.012 -0.057 1.00 53.15 H new ATOM 0 HG3 LYS A 42 12.719 -1.486 -0.935 1.00 53.15 H new ATOM 0 HD2 LYS A 42 12.758 -0.105 -3.095 1.00 42.12 H new ATOM 0 HD3 LYS A 42 13.249 1.268 -2.124 1.00 42.12 H new ATOM 0 HE2 LYS A 42 15.239 -0.022 -1.324 1.00 64.24 H new ATOM 0 HE3 LYS A 42 14.752 -1.378 -2.321 1.00 64.24 H new ATOM 0 HZ1 LYS A 42 16.433 -0.047 -3.413 1.00 71.04 H new ATOM 0 HZ2 LYS A 42 14.979 0.021 -4.289 1.00 71.04 H new ATOM 0 HZ3 LYS A 42 15.451 1.336 -3.323 1.00 71.04 H new ATOM 675 N GLU A 43 8.260 0.840 -0.651 1.00 33.15 N ATOM 676 CA GLU A 43 6.839 0.872 -1.020 1.00 51.34 C ATOM 677 C GLU A 43 5.941 0.808 0.229 1.00 33.35 C ATOM 678 O GLU A 43 6.417 0.567 1.341 1.00 13.51 O ATOM 679 CB GLU A 43 6.503 -0.298 -1.964 1.00 11.35 C ATOM 680 CG GLU A 43 7.420 -0.395 -3.179 1.00 22.45 C ATOM 681 CD GLU A 43 6.993 -1.459 -4.177 1.00 72.44 C ATOM 682 OE1 GLU A 43 6.575 -2.555 -3.751 1.00 14.20 O ATOM 683 OE2 GLU A 43 7.071 -1.206 -5.398 1.00 1.53 O ATOM 0 H GLU A 43 8.465 0.258 0.161 1.00 33.15 H new ATOM 0 HA GLU A 43 6.649 1.814 -1.535 1.00 51.34 H new ATOM 0 HB2 GLU A 43 6.559 -1.231 -1.404 1.00 11.35 H new ATOM 0 HB3 GLU A 43 5.473 -0.192 -2.306 1.00 11.35 H new ATOM 0 HG2 GLU A 43 7.449 0.572 -3.681 1.00 22.45 H new ATOM 0 HG3 GLU A 43 8.434 -0.610 -2.843 1.00 22.45 H new ATOM 690 N ARG A 44 4.641 1.006 0.034 1.00 24.42 N ATOM 691 CA ARG A 44 3.681 1.051 1.143 1.00 54.10 C ATOM 692 C ARG A 44 2.430 0.208 0.837 1.00 3.24 C ATOM 693 O ARG A 44 1.663 0.527 -0.070 1.00 44.43 O ATOM 694 CB ARG A 44 3.296 2.510 1.419 1.00 23.14 C ATOM 695 CG ARG A 44 2.273 2.697 2.536 1.00 34.13 C ATOM 696 CD ARG A 44 2.072 4.172 2.863 1.00 34.32 C ATOM 697 NE ARG A 44 3.292 4.775 3.390 1.00 1.14 N ATOM 698 CZ ARG A 44 3.951 5.748 2.819 1.00 31.12 C ATOM 699 NH1 ARG A 44 3.551 6.260 1.702 1.00 14.54 N ATOM 700 NH2 ARG A 44 5.024 6.199 3.373 1.00 54.12 N ATOM 0 H ARG A 44 4.222 1.139 -0.886 1.00 24.42 H new ATOM 0 HA ARG A 44 4.150 0.624 2.030 1.00 54.10 H new ATOM 0 HB2 ARG A 44 4.197 3.068 1.673 1.00 23.14 H new ATOM 0 HB3 ARG A 44 2.898 2.946 0.503 1.00 23.14 H new ATOM 0 HG2 ARG A 44 1.322 2.256 2.238 1.00 34.13 H new ATOM 0 HG3 ARG A 44 2.605 2.167 3.428 1.00 34.13 H new ATOM 0 HD2 ARG A 44 1.760 4.705 1.965 1.00 34.32 H new ATOM 0 HD3 ARG A 44 1.269 4.278 3.592 1.00 34.32 H new ATOM 0 HE ARG A 44 3.657 4.410 4.269 1.00 1.14 H new ATOM 0 HH11 ARG A 44 2.708 5.905 1.251 1.00 14.54 H new ATOM 0 HH12 ARG A 44 4.079 7.019 1.271 1.00 14.54 H new ATOM 0 HH21 ARG A 44 5.353 5.796 4.251 1.00 54.12 H new ATOM 0 HH22 ARG A 44 5.544 6.958 2.934 1.00 54.12 H new ATOM 714 N THR A 45 2.226 -0.860 1.608 1.00 32.53 N ATOM 715 CA THR A 45 1.115 -1.802 1.371 1.00 50.33 C ATOM 716 C THR A 45 -0.106 -1.511 2.266 1.00 15.23 C ATOM 717 O THR A 45 0.016 -1.401 3.489 1.00 52.42 O ATOM 718 CB THR A 45 1.569 -3.265 1.601 1.00 61.33 C ATOM 719 OG1 THR A 45 2.709 -3.562 0.781 1.00 2.12 O ATOM 720 CG2 THR A 45 0.448 -4.254 1.282 1.00 44.24 C ATOM 0 H THR A 45 2.814 -1.101 2.406 1.00 32.53 H new ATOM 0 HA THR A 45 0.818 -1.665 0.331 1.00 50.33 H new ATOM 0 HB THR A 45 1.832 -3.368 2.654 1.00 61.33 H new ATOM 0 HG1 THR A 45 2.990 -4.488 0.934 1.00 2.12 H new ATOM 0 HG21 THR A 45 0.800 -5.271 1.454 1.00 44.24 H new ATOM 0 HG22 THR A 45 -0.409 -4.053 1.925 1.00 44.24 H new ATOM 0 HG23 THR A 45 0.152 -4.144 0.239 1.00 44.24 H new ATOM 728 N TYR A 46 -1.281 -1.399 1.640 1.00 64.13 N ATOM 729 CA TYR A 46 -2.550 -1.155 2.344 1.00 74.45 C ATOM 730 C TYR A 46 -3.468 -2.388 2.288 1.00 74.45 C ATOM 731 O TYR A 46 -3.336 -3.230 1.396 1.00 15.42 O ATOM 732 CB TYR A 46 -3.303 0.017 1.698 1.00 41.21 C ATOM 733 CG TYR A 46 -2.585 1.349 1.739 1.00 51.23 C ATOM 734 CD1 TYR A 46 -1.599 1.665 0.809 1.00 13.00 C ATOM 735 CD2 TYR A 46 -2.914 2.303 2.693 1.00 31.10 C ATOM 736 CE1 TYR A 46 -0.966 2.892 0.835 1.00 53.42 C ATOM 737 CE2 TYR A 46 -2.289 3.531 2.721 1.00 14.02 C ATOM 738 CZ TYR A 46 -1.315 3.822 1.793 1.00 44.54 C ATOM 739 OH TYR A 46 -0.692 5.049 1.816 1.00 20.44 O ATOM 0 H TYR A 46 -1.383 -1.475 0.628 1.00 64.13 H new ATOM 0 HA TYR A 46 -2.301 -0.929 3.381 1.00 74.45 H new ATOM 0 HB2 TYR A 46 -3.509 -0.234 0.657 1.00 41.21 H new ATOM 0 HB3 TYR A 46 -4.266 0.127 2.196 1.00 41.21 H new ATOM 0 HD1 TYR A 46 -1.325 0.940 0.056 1.00 13.00 H new ATOM 0 HD2 TYR A 46 -3.674 2.078 3.427 1.00 31.10 H new ATOM 0 HE1 TYR A 46 -0.201 3.123 0.109 1.00 53.42 H new ATOM 0 HE2 TYR A 46 -2.562 4.262 3.468 1.00 14.02 H new ATOM 0 HH TYR A 46 -0.753 5.464 0.930 1.00 20.44 H new ATOM 749 N ASP A 47 -4.408 -2.473 3.228 1.00 61.33 N ATOM 750 CA ASP A 47 -5.470 -3.484 3.180 1.00 24.22 C ATOM 751 C ASP A 47 -6.773 -2.871 2.637 1.00 45.42 C ATOM 752 O ASP A 47 -7.437 -2.087 3.326 1.00 14.22 O ATOM 753 CB ASP A 47 -5.720 -4.070 4.575 1.00 43.43 C ATOM 754 CG ASP A 47 -4.557 -4.896 5.094 1.00 73.04 C ATOM 755 OD1 ASP A 47 -4.095 -5.802 4.372 1.00 40.43 O ATOM 756 OD2 ASP A 47 -4.114 -4.655 6.236 1.00 5.24 O ATOM 0 H ASP A 47 -4.458 -1.853 4.036 1.00 61.33 H new ATOM 0 HA ASP A 47 -5.146 -4.283 2.513 1.00 24.22 H new ATOM 0 HB2 ASP A 47 -5.920 -3.257 5.273 1.00 43.43 H new ATOM 0 HB3 ASP A 47 -6.615 -4.692 4.546 1.00 43.43 H new ATOM 761 N LEU A 48 -7.132 -3.219 1.402 1.00 51.21 N ATOM 762 CA LEU A 48 -8.364 -2.715 0.784 1.00 61.14 C ATOM 763 C LEU A 48 -9.405 -3.834 0.650 1.00 42.53 C ATOM 764 O LEU A 48 -9.150 -4.860 0.018 1.00 5.35 O ATOM 765 CB LEU A 48 -8.072 -2.101 -0.595 1.00 51.35 C ATOM 766 CG LEU A 48 -7.058 -0.940 -0.607 1.00 10.13 C ATOM 767 CD1 LEU A 48 -6.941 -0.345 -2.009 1.00 4.42 C ATOM 768 CD2 LEU A 48 -7.451 0.136 0.404 1.00 72.33 C ATOM 0 H LEU A 48 -6.590 -3.847 0.808 1.00 51.21 H new ATOM 0 HA LEU A 48 -8.769 -1.939 1.433 1.00 61.14 H new ATOM 0 HB2 LEU A 48 -7.703 -2.888 -1.252 1.00 51.35 H new ATOM 0 HB3 LEU A 48 -9.010 -1.744 -1.020 1.00 51.35 H new ATOM 0 HG LEU A 48 -6.084 -1.336 -0.319 1.00 10.13 H new ATOM 0 HD11 LEU A 48 -6.221 0.473 -1.998 1.00 4.42 H new ATOM 0 HD12 LEU A 48 -6.605 -1.115 -2.704 1.00 4.42 H new ATOM 0 HD13 LEU A 48 -7.913 0.032 -2.327 1.00 4.42 H new ATOM 0 HD21 LEU A 48 -6.721 0.945 0.377 1.00 72.33 H new ATOM 0 HD22 LEU A 48 -8.436 0.529 0.153 1.00 72.33 H new ATOM 0 HD23 LEU A 48 -7.477 -0.297 1.404 1.00 72.33 H new ATOM 780 N LYS A 49 -10.574 -3.630 1.253 1.00 25.13 N ATOM 781 CA LYS A 49 -11.646 -4.631 1.224 1.00 2.12 C ATOM 782 C LYS A 49 -12.354 -4.652 -0.135 1.00 12.11 C ATOM 783 O LYS A 49 -12.532 -3.615 -0.775 1.00 71.33 O ATOM 784 CB LYS A 49 -12.658 -4.360 2.348 1.00 31.03 C ATOM 785 CG LYS A 49 -12.022 -4.277 3.734 1.00 54.01 C ATOM 786 CD LYS A 49 -11.232 -5.541 4.084 1.00 54.44 C ATOM 787 CE LYS A 49 -10.502 -5.403 5.415 1.00 2.55 C ATOM 788 NZ LYS A 49 -9.772 -6.644 5.783 1.00 14.23 N ATOM 0 H LYS A 49 -10.806 -2.781 1.769 1.00 25.13 H new ATOM 0 HA LYS A 49 -11.194 -5.610 1.381 1.00 2.12 H new ATOM 0 HB2 LYS A 49 -13.179 -3.425 2.139 1.00 31.03 H new ATOM 0 HB3 LYS A 49 -13.409 -5.150 2.348 1.00 31.03 H new ATOM 0 HG2 LYS A 49 -11.359 -3.413 3.777 1.00 54.01 H new ATOM 0 HG3 LYS A 49 -12.800 -4.119 4.480 1.00 54.01 H new ATOM 0 HD2 LYS A 49 -11.911 -6.393 4.128 1.00 54.44 H new ATOM 0 HD3 LYS A 49 -10.511 -5.749 3.294 1.00 54.44 H new ATOM 0 HE2 LYS A 49 -9.798 -4.572 5.358 1.00 2.55 H new ATOM 0 HE3 LYS A 49 -11.220 -5.159 6.198 1.00 2.55 H new ATOM 0 HZ1 LYS A 49 -9.060 -6.426 6.509 1.00 14.23 H new ATOM 0 HZ2 LYS A 49 -10.444 -7.344 6.157 1.00 14.23 H new ATOM 0 HZ3 LYS A 49 -9.301 -7.032 4.941 1.00 14.23 H new ATOM 802 N SER A 50 -12.759 -5.844 -0.565 1.00 33.52 N ATOM 803 CA SER A 50 -13.404 -6.023 -1.872 1.00 61.34 C ATOM 804 C SER A 50 -14.721 -6.802 -1.740 1.00 62.21 C ATOM 805 O SER A 50 -14.892 -7.609 -0.822 1.00 72.51 O ATOM 806 CB SER A 50 -12.461 -6.762 -2.835 1.00 24.44 C ATOM 807 OG SER A 50 -11.219 -6.083 -2.969 1.00 2.03 O ATOM 0 H SER A 50 -12.654 -6.705 -0.029 1.00 33.52 H new ATOM 0 HA SER A 50 -13.627 -5.034 -2.271 1.00 61.34 H new ATOM 0 HB2 SER A 50 -12.286 -7.774 -2.470 1.00 24.44 H new ATOM 0 HB3 SER A 50 -12.935 -6.853 -3.812 1.00 24.44 H new ATOM 0 HG SER A 50 -10.850 -6.248 -3.862 1.00 2.03 H new ATOM 866 N ARG A 55 -13.035 -11.943 -0.733 1.00 1.31 N ATOM 867 CA ARG A 55 -11.583 -11.804 -0.562 1.00 51.45 C ATOM 868 C ARG A 55 -11.147 -10.358 -0.833 1.00 52.03 C ATOM 869 O ARG A 55 -11.660 -9.708 -1.747 1.00 52.52 O ATOM 870 CB ARG A 55 -10.829 -12.773 -1.497 1.00 65.44 C ATOM 871 CG ARG A 55 -10.960 -12.441 -2.985 1.00 12.13 C ATOM 872 CD ARG A 55 -10.224 -13.451 -3.864 1.00 0.23 C ATOM 873 NE ARG A 55 -8.805 -13.572 -3.520 1.00 1.13 N ATOM 874 CZ ARG A 55 -7.901 -14.107 -4.303 1.00 54.10 C ATOM 875 NH1 ARG A 55 -8.207 -14.512 -5.492 1.00 31.42 N ATOM 876 NH2 ARG A 55 -6.679 -14.224 -3.895 1.00 63.44 N ATOM 0 HA ARG A 55 -11.335 -12.056 0.469 1.00 51.45 H new ATOM 0 HB2 ARG A 55 -9.773 -12.771 -1.228 1.00 65.44 H new ATOM 0 HB3 ARG A 55 -11.199 -13.784 -1.328 1.00 65.44 H new ATOM 0 HG2 ARG A 55 -12.014 -12.421 -3.261 1.00 12.13 H new ATOM 0 HG3 ARG A 55 -10.563 -11.443 -3.170 1.00 12.13 H new ATOM 0 HD2 ARG A 55 -10.701 -14.426 -3.768 1.00 0.23 H new ATOM 0 HD3 ARG A 55 -10.316 -13.153 -4.908 1.00 0.23 H new ATOM 0 HE ARG A 55 -8.502 -13.217 -2.613 1.00 1.13 H new ATOM 0 HH11 ARG A 55 -9.164 -14.417 -5.833 1.00 31.42 H new ATOM 0 HH12 ARG A 55 -7.492 -14.926 -6.089 1.00 31.42 H new ATOM 0 HH21 ARG A 55 -6.419 -13.900 -2.964 1.00 63.44 H new ATOM 0 HH22 ARG A 55 -5.975 -14.641 -4.505 1.00 63.44 H new ATOM 890 N MET A 56 -10.212 -9.851 -0.032 1.00 72.24 N ATOM 891 CA MET A 56 -9.719 -8.477 -0.197 1.00 32.51 C ATOM 892 C MET A 56 -8.429 -8.439 -1.036 1.00 4.13 C ATOM 893 O MET A 56 -7.938 -9.476 -1.495 1.00 44.23 O ATOM 894 CB MET A 56 -9.484 -7.826 1.176 1.00 75.53 C ATOM 895 CG MET A 56 -8.323 -8.418 1.966 1.00 5.33 C ATOM 896 SD MET A 56 -8.101 -7.617 3.570 1.00 63.14 S ATOM 897 CE MET A 56 -6.584 -8.391 4.134 1.00 52.31 C ATOM 0 H MET A 56 -9.780 -10.365 0.736 1.00 72.24 H new ATOM 0 HA MET A 56 -10.481 -7.910 -0.732 1.00 32.51 H new ATOM 0 HB2 MET A 56 -9.304 -6.761 1.033 1.00 75.53 H new ATOM 0 HB3 MET A 56 -10.394 -7.918 1.768 1.00 75.53 H new ATOM 0 HG2 MET A 56 -8.495 -9.484 2.116 1.00 5.33 H new ATOM 0 HG3 MET A 56 -7.406 -8.322 1.385 1.00 5.33 H new ATOM 0 HE1 MET A 56 -6.317 -7.997 5.115 1.00 52.31 H new ATOM 0 HE2 MET A 56 -6.729 -9.469 4.203 1.00 52.31 H new ATOM 0 HE3 MET A 56 -5.782 -8.178 3.427 1.00 52.31 H new ATOM 907 N ILE A 57 -7.892 -7.236 -1.238 1.00 0.44 N ATOM 908 CA ILE A 57 -6.659 -7.047 -2.013 1.00 14.10 C ATOM 909 C ILE A 57 -5.615 -6.246 -1.212 1.00 32.41 C ATOM 910 O ILE A 57 -5.959 -5.273 -0.534 1.00 31.13 O ATOM 911 CB ILE A 57 -6.951 -6.309 -3.351 1.00 20.52 C ATOM 912 CG1 ILE A 57 -7.482 -4.886 -3.095 1.00 65.21 C ATOM 913 CG2 ILE A 57 -7.955 -7.099 -4.190 1.00 55.10 C ATOM 914 CD1 ILE A 57 -7.772 -4.098 -4.360 1.00 74.34 C ATOM 0 H ILE A 57 -8.292 -6.371 -0.875 1.00 0.44 H new ATOM 0 HA ILE A 57 -6.259 -8.038 -2.228 1.00 14.10 H new ATOM 0 HB ILE A 57 -6.013 -6.231 -3.901 1.00 20.52 H new ATOM 0 HG12 ILE A 57 -8.395 -4.951 -2.503 1.00 65.21 H new ATOM 0 HG13 ILE A 57 -6.752 -4.339 -2.498 1.00 65.21 H new ATOM 0 HG21 ILE A 57 -8.148 -6.568 -5.122 1.00 55.10 H new ATOM 0 HG22 ILE A 57 -7.548 -8.085 -4.412 1.00 55.10 H new ATOM 0 HG23 ILE A 57 -8.887 -7.208 -3.635 1.00 55.10 H new ATOM 0 HD11 ILE A 57 -8.142 -3.108 -4.095 1.00 74.34 H new ATOM 0 HD12 ILE A 57 -6.858 -3.999 -4.945 1.00 74.34 H new ATOM 0 HD13 ILE A 57 -8.525 -4.621 -4.950 1.00 74.34 H new ATOM 926 N GLN A 58 -4.340 -6.650 -1.267 1.00 35.41 N ATOM 927 CA GLN A 58 -3.287 -5.876 -0.592 1.00 40.14 C ATOM 928 C GLN A 58 -2.495 -5.036 -1.601 1.00 42.32 C ATOM 929 O GLN A 58 -1.718 -5.564 -2.393 1.00 40.44 O ATOM 930 CB GLN A 58 -2.368 -6.795 0.224 1.00 73.21 C ATOM 931 CG GLN A 58 -3.070 -7.402 1.439 1.00 4.33 C ATOM 932 CD GLN A 58 -2.135 -8.156 2.368 1.00 24.32 C ATOM 933 OE1 GLN A 58 -1.151 -8.750 1.943 1.00 65.51 O ATOM 934 NE2 GLN A 58 -2.420 -8.115 3.655 1.00 53.34 N ATOM 0 H GLN A 58 -4.016 -7.484 -1.757 1.00 35.41 H new ATOM 0 HA GLN A 58 -3.763 -5.188 0.106 1.00 40.14 H new ATOM 0 HB2 GLN A 58 -2.001 -7.597 -0.417 1.00 73.21 H new ATOM 0 HB3 GLN A 58 -1.498 -6.229 0.557 1.00 73.21 H new ATOM 0 HG2 GLN A 58 -3.561 -6.606 1.999 1.00 4.33 H new ATOM 0 HG3 GLN A 58 -3.852 -8.080 1.095 1.00 4.33 H new ATOM 0 HE21 GLN A 58 -3.246 -7.612 3.979 1.00 53.34 H new ATOM 0 HE22 GLN A 58 -1.814 -8.586 4.327 1.00 53.34 H new ATOM 943 N VAL A 59 -2.713 -3.720 -1.571 1.00 30.42 N ATOM 944 CA VAL A 59 -2.157 -2.811 -2.585 1.00 11.42 C ATOM 945 C VAL A 59 -0.899 -2.073 -2.098 1.00 63.03 C ATOM 946 O VAL A 59 -0.917 -1.403 -1.071 1.00 1.11 O ATOM 947 CB VAL A 59 -3.210 -1.769 -3.037 1.00 63.21 C ATOM 948 CG1 VAL A 59 -2.619 -0.799 -4.062 1.00 4.42 C ATOM 949 CG2 VAL A 59 -4.444 -2.472 -3.603 1.00 23.41 C ATOM 0 H VAL A 59 -3.272 -3.255 -0.855 1.00 30.42 H new ATOM 0 HA VAL A 59 -1.874 -3.442 -3.428 1.00 11.42 H new ATOM 0 HB VAL A 59 -3.512 -1.188 -2.165 1.00 63.21 H new ATOM 0 HG11 VAL A 59 -3.380 -0.078 -4.362 1.00 4.42 H new ATOM 0 HG12 VAL A 59 -1.774 -0.271 -3.619 1.00 4.42 H new ATOM 0 HG13 VAL A 59 -2.281 -1.355 -4.936 1.00 4.42 H new ATOM 0 HG21 VAL A 59 -5.175 -1.727 -3.917 1.00 23.41 H new ATOM 0 HG22 VAL A 59 -4.155 -3.080 -4.460 1.00 23.41 H new ATOM 0 HG23 VAL A 59 -4.883 -3.111 -2.836 1.00 23.41 H new ATOM 959 N SER A 60 0.184 -2.186 -2.862 1.00 0.24 N ATOM 960 CA SER A 60 1.448 -1.512 -2.540 1.00 0.41 C ATOM 961 C SER A 60 1.719 -0.345 -3.501 1.00 12.35 C ATOM 962 O SER A 60 1.669 -0.503 -4.724 1.00 50.42 O ATOM 963 CB SER A 60 2.614 -2.507 -2.599 1.00 61.44 C ATOM 964 OG SER A 60 3.834 -1.894 -2.212 1.00 41.53 O ATOM 0 H SER A 60 0.215 -2.742 -3.717 1.00 0.24 H new ATOM 0 HA SER A 60 1.361 -1.114 -1.529 1.00 0.41 H new ATOM 0 HB2 SER A 60 2.406 -3.354 -1.945 1.00 61.44 H new ATOM 0 HB3 SER A 60 2.708 -2.902 -3.611 1.00 61.44 H new ATOM 0 HG SER A 60 4.559 -2.215 -2.789 1.00 41.53 H new ATOM 970 N ILE A 61 1.989 0.832 -2.943 1.00 74.14 N ATOM 971 CA ILE A 61 2.339 2.019 -3.741 1.00 55.12 C ATOM 972 C ILE A 61 3.796 2.446 -3.485 1.00 43.13 C ATOM 973 O ILE A 61 4.335 2.205 -2.404 1.00 64.32 O ATOM 974 CB ILE A 61 1.393 3.209 -3.427 1.00 22.42 C ATOM 975 CG1 ILE A 61 1.506 3.616 -1.947 1.00 63.51 C ATOM 976 CG2 ILE A 61 -0.049 2.852 -3.787 1.00 53.52 C ATOM 977 CD1 ILE A 61 0.658 4.818 -1.572 1.00 24.34 C ATOM 0 H ILE A 61 1.974 0.996 -1.936 1.00 74.14 H new ATOM 0 HA ILE A 61 2.225 1.745 -4.790 1.00 55.12 H new ATOM 0 HB ILE A 61 1.695 4.062 -4.034 1.00 22.42 H new ATOM 0 HG12 ILE A 61 1.215 2.770 -1.325 1.00 63.51 H new ATOM 0 HG13 ILE A 61 2.549 3.835 -1.719 1.00 63.51 H new ATOM 0 HG21 ILE A 61 -0.700 3.696 -3.561 1.00 53.52 H new ATOM 0 HG22 ILE A 61 -0.112 2.620 -4.850 1.00 53.52 H new ATOM 0 HG23 ILE A 61 -0.365 1.985 -3.207 1.00 53.52 H new ATOM 0 HD11 ILE A 61 0.792 5.042 -0.514 1.00 24.34 H new ATOM 0 HD12 ILE A 61 0.964 5.679 -2.167 1.00 24.34 H new ATOM 0 HD13 ILE A 61 -0.392 4.597 -1.766 1.00 24.34 H new ATOM 989 N PRO A 62 4.459 3.087 -4.469 1.00 71.03 N ATOM 990 CA PRO A 62 5.856 3.538 -4.312 1.00 72.42 C ATOM 991 C PRO A 62 6.011 4.640 -3.244 1.00 23.34 C ATOM 992 O PRO A 62 5.074 5.394 -2.973 1.00 14.13 O ATOM 993 CB PRO A 62 6.213 4.078 -5.707 1.00 63.44 C ATOM 994 CG PRO A 62 4.901 4.443 -6.317 1.00 2.04 C ATOM 995 CD PRO A 62 3.914 3.431 -5.798 1.00 30.41 C ATOM 0 HA PRO A 62 6.506 2.732 -3.972 1.00 72.42 H new ATOM 0 HB2 PRO A 62 6.873 4.943 -5.640 1.00 63.44 H new ATOM 0 HB3 PRO A 62 6.731 3.326 -6.302 1.00 63.44 H new ATOM 0 HG2 PRO A 62 4.607 5.455 -6.038 1.00 2.04 H new ATOM 0 HG3 PRO A 62 4.954 4.415 -7.405 1.00 2.04 H new ATOM 0 HD2 PRO A 62 2.909 3.847 -5.727 1.00 30.41 H new ATOM 0 HD3 PRO A 62 3.852 2.558 -6.447 1.00 30.41 H new ATOM 1003 N ALA A 63 7.207 4.742 -2.656 1.00 0.12 N ATOM 1004 CA ALA A 63 7.494 5.753 -1.621 1.00 75.31 C ATOM 1005 C ALA A 63 7.199 7.187 -2.104 1.00 14.54 C ATOM 1006 O ALA A 63 7.051 8.109 -1.295 1.00 75.41 O ATOM 1007 CB ALA A 63 8.947 5.639 -1.171 1.00 3.24 C ATOM 0 H ALA A 63 7.998 4.137 -2.877 1.00 0.12 H new ATOM 0 HA ALA A 63 6.831 5.554 -0.779 1.00 75.31 H new ATOM 0 HB1 ALA A 63 9.151 6.389 -0.407 1.00 3.24 H new ATOM 0 HB2 ALA A 63 9.124 4.645 -0.760 1.00 3.24 H new ATOM 0 HB3 ALA A 63 9.606 5.802 -2.024 1.00 3.24 H new ATOM 1013 N SER A 64 7.120 7.363 -3.424 1.00 13.31 N ATOM 1014 CA SER A 64 6.796 8.663 -4.038 1.00 72.22 C ATOM 1015 C SER A 64 5.407 9.171 -3.613 1.00 13.05 C ATOM 1016 O SER A 64 5.106 10.359 -3.734 1.00 45.02 O ATOM 1017 CB SER A 64 6.843 8.549 -5.569 1.00 71.01 C ATOM 1018 OG SER A 64 8.082 8.013 -6.010 1.00 4.23 O ATOM 0 H SER A 64 7.277 6.615 -4.100 1.00 13.31 H new ATOM 0 HA SER A 64 7.541 9.379 -3.691 1.00 72.22 H new ATOM 0 HB2 SER A 64 6.027 7.914 -5.913 1.00 71.01 H new ATOM 0 HB3 SER A 64 6.691 9.533 -6.014 1.00 71.01 H new ATOM 0 HG SER A 64 8.082 7.951 -6.988 1.00 4.23 H new ATOM 1024 N VAL A 65 4.560 8.263 -3.132 1.00 21.42 N ATOM 1025 CA VAL A 65 3.206 8.615 -2.692 1.00 53.32 C ATOM 1026 C VAL A 65 3.047 8.397 -1.173 1.00 32.12 C ATOM 1027 O VAL A 65 3.221 7.282 -0.678 1.00 43.25 O ATOM 1028 CB VAL A 65 2.144 7.779 -3.446 1.00 2.22 C ATOM 1029 CG1 VAL A 65 0.737 8.266 -3.114 1.00 62.35 C ATOM 1030 CG2 VAL A 65 2.392 7.819 -4.954 1.00 13.50 C ATOM 0 H VAL A 65 4.786 7.273 -3.036 1.00 21.42 H new ATOM 0 HA VAL A 65 3.053 9.670 -2.918 1.00 53.32 H new ATOM 0 HB VAL A 65 2.230 6.744 -3.117 1.00 2.22 H new ATOM 0 HG11 VAL A 65 0.007 7.664 -3.655 1.00 62.35 H new ATOM 0 HG12 VAL A 65 0.563 8.171 -2.042 1.00 62.35 H new ATOM 0 HG13 VAL A 65 0.635 9.311 -3.407 1.00 62.35 H new ATOM 0 HG21 VAL A 65 1.634 7.225 -5.463 1.00 13.50 H new ATOM 0 HG22 VAL A 65 2.341 8.850 -5.304 1.00 13.50 H new ATOM 0 HG23 VAL A 65 3.379 7.411 -5.171 1.00 13.50 H new ATOM 1040 N PRO A 66 2.724 9.462 -0.411 1.00 70.24 N ATOM 1041 CA PRO A 66 2.564 9.384 1.058 1.00 70.04 C ATOM 1042 C PRO A 66 1.333 8.569 1.508 1.00 74.00 C ATOM 1043 O PRO A 66 0.661 7.918 0.699 1.00 2.02 O ATOM 1044 CB PRO A 66 2.419 10.861 1.485 1.00 14.41 C ATOM 1045 CG PRO A 66 2.846 11.664 0.299 1.00 5.14 C ATOM 1046 CD PRO A 66 2.506 10.830 -0.902 1.00 62.41 C ATOM 0 HA PRO A 66 3.407 8.866 1.515 1.00 70.04 H new ATOM 0 HB2 PRO A 66 1.390 11.090 1.764 1.00 14.41 H new ATOM 0 HB3 PRO A 66 3.041 11.081 2.353 1.00 14.41 H new ATOM 0 HG2 PRO A 66 2.328 12.623 0.269 1.00 5.14 H new ATOM 0 HG3 PRO A 66 3.914 11.879 0.336 1.00 5.14 H new ATOM 0 HD2 PRO A 66 1.477 10.986 -1.226 1.00 62.41 H new ATOM 0 HD3 PRO A 66 3.147 11.063 -1.752 1.00 62.41 H new ATOM 1054 N LEU A 67 1.056 8.599 2.810 1.00 65.34 N ATOM 1055 CA LEU A 67 -0.100 7.902 3.382 1.00 63.21 C ATOM 1056 C LEU A 67 -1.413 8.609 3.008 1.00 73.21 C ATOM 1057 O LEU A 67 -1.452 9.831 2.847 1.00 10.45 O ATOM 1058 CB LEU A 67 0.043 7.826 4.912 1.00 43.15 C ATOM 1059 CG LEU A 67 -1.083 7.080 5.655 1.00 75.50 C ATOM 1060 CD1 LEU A 67 -1.143 5.618 5.223 1.00 64.52 C ATOM 1061 CD2 LEU A 67 -0.897 7.187 7.169 1.00 61.35 C ATOM 0 H LEU A 67 1.620 9.102 3.495 1.00 65.34 H new ATOM 0 HA LEU A 67 -0.131 6.893 2.971 1.00 63.21 H new ATOM 0 HB2 LEU A 67 0.991 7.341 5.146 1.00 43.15 H new ATOM 0 HB3 LEU A 67 0.100 8.842 5.304 1.00 43.15 H new ATOM 0 HG LEU A 67 -2.030 7.551 5.393 1.00 75.50 H new ATOM 0 HD11 LEU A 67 -1.945 5.112 5.761 1.00 64.52 H new ATOM 0 HD12 LEU A 67 -1.334 5.563 4.151 1.00 64.52 H new ATOM 0 HD13 LEU A 67 -0.193 5.133 5.448 1.00 64.52 H new ATOM 0 HD21 LEU A 67 -1.703 6.653 7.673 1.00 61.35 H new ATOM 0 HD22 LEU A 67 0.060 6.748 7.450 1.00 61.35 H new ATOM 0 HD23 LEU A 67 -0.916 8.236 7.465 1.00 61.35 H new ATOM 1073 N LYS A 68 -2.484 7.834 2.848 1.00 44.35 N ATOM 1074 CA LYS A 68 -3.808 8.400 2.560 1.00 3.00 C ATOM 1075 C LYS A 68 -4.628 8.586 3.843 1.00 4.42 C ATOM 1076 O LYS A 68 -5.046 7.615 4.476 1.00 41.13 O ATOM 1077 CB LYS A 68 -4.589 7.509 1.579 1.00 20.43 C ATOM 1078 CG LYS A 68 -4.220 7.699 0.107 1.00 13.53 C ATOM 1079 CD LYS A 68 -2.752 7.387 -0.178 1.00 52.31 C ATOM 1080 CE LYS A 68 -2.414 7.575 -1.653 1.00 54.22 C ATOM 1081 NZ LYS A 68 -2.729 8.947 -2.137 1.00 1.34 N ATOM 0 H LYS A 68 -2.465 6.816 2.912 1.00 44.35 H new ATOM 0 HA LYS A 68 -3.645 9.376 2.103 1.00 3.00 H new ATOM 0 HB2 LYS A 68 -4.425 6.466 1.848 1.00 20.43 H new ATOM 0 HB3 LYS A 68 -5.654 7.706 1.700 1.00 20.43 H new ATOM 0 HG2 LYS A 68 -4.850 7.055 -0.507 1.00 13.53 H new ATOM 0 HG3 LYS A 68 -4.432 8.727 -0.187 1.00 13.53 H new ATOM 0 HD2 LYS A 68 -2.118 8.035 0.427 1.00 52.31 H new ATOM 0 HD3 LYS A 68 -2.533 6.361 0.118 1.00 52.31 H new ATOM 0 HE2 LYS A 68 -1.354 7.372 -1.809 1.00 54.22 H new ATOM 0 HE3 LYS A 68 -2.968 6.847 -2.246 1.00 54.22 H new ATOM 0 HZ1 LYS A 68 -2.315 9.086 -3.081 1.00 1.34 H new ATOM 0 HZ2 LYS A 68 -3.761 9.068 -2.190 1.00 1.34 H new ATOM 0 HZ3 LYS A 68 -2.331 9.647 -1.479 1.00 1.34 H new ATOM 1095 N GLU A 69 -4.867 9.840 4.211 1.00 25.30 N ATOM 1096 CA GLU A 69 -5.671 10.165 5.392 1.00 32.43 C ATOM 1097 C GLU A 69 -7.176 10.074 5.079 1.00 53.14 C ATOM 1098 O GLU A 69 -7.896 11.076 5.104 1.00 33.35 O ATOM 1099 CB GLU A 69 -5.315 11.575 5.883 1.00 1.22 C ATOM 1100 CG GLU A 69 -3.872 11.728 6.369 1.00 11.35 C ATOM 1101 CD GLU A 69 -3.562 10.888 7.601 1.00 11.01 C ATOM 1102 OE1 GLU A 69 -4.343 10.946 8.577 1.00 31.13 O ATOM 1103 OE2 GLU A 69 -2.538 10.171 7.608 1.00 3.30 O ATOM 0 H GLU A 69 -4.515 10.654 3.708 1.00 25.30 H new ATOM 0 HA GLU A 69 -5.448 9.441 6.175 1.00 32.43 H new ATOM 0 HB2 GLU A 69 -5.490 12.284 5.074 1.00 1.22 H new ATOM 0 HB3 GLU A 69 -5.990 11.845 6.695 1.00 1.22 H new ATOM 0 HG2 GLU A 69 -3.193 11.446 5.565 1.00 11.35 H new ATOM 0 HG3 GLU A 69 -3.681 12.777 6.595 1.00 11.35 H new ATOM 1110 N PHE A 70 -7.644 8.864 4.773 1.00 70.31 N ATOM 1111 CA PHE A 70 -9.049 8.641 4.407 1.00 52.54 C ATOM 1112 C PHE A 70 -9.888 8.134 5.593 1.00 22.13 C ATOM 1113 O PHE A 70 -9.361 7.714 6.625 1.00 64.15 O ATOM 1114 CB PHE A 70 -9.153 7.640 3.243 1.00 2.04 C ATOM 1115 CG PHE A 70 -8.625 8.152 1.921 1.00 45.52 C ATOM 1116 CD1 PHE A 70 -8.535 9.516 1.663 1.00 23.41 C ATOM 1117 CD2 PHE A 70 -8.231 7.263 0.927 1.00 12.02 C ATOM 1118 CE1 PHE A 70 -8.061 9.978 0.448 1.00 11.23 C ATOM 1119 CE2 PHE A 70 -7.761 7.721 -0.290 1.00 61.23 C ATOM 1120 CZ PHE A 70 -7.676 9.079 -0.531 1.00 41.23 C ATOM 0 H PHE A 70 -7.072 8.019 4.770 1.00 70.31 H new ATOM 0 HA PHE A 70 -9.450 9.607 4.100 1.00 52.54 H new ATOM 0 HB2 PHE A 70 -8.608 6.735 3.510 1.00 2.04 H new ATOM 0 HB3 PHE A 70 -10.198 7.358 3.117 1.00 2.04 H new ATOM 0 HD1 PHE A 70 -8.839 10.223 2.421 1.00 23.41 H new ATOM 0 HD2 PHE A 70 -8.293 6.200 1.108 1.00 12.02 H new ATOM 0 HE1 PHE A 70 -7.992 11.040 0.264 1.00 11.23 H new ATOM 0 HE2 PHE A 70 -7.460 7.017 -1.052 1.00 61.23 H new ATOM 0 HZ PHE A 70 -7.310 9.438 -1.481 1.00 41.23 H new ATOM 1130 N ASP A 71 -11.207 8.171 5.414 1.00 4.45 N ATOM 1131 CA ASP A 71 -12.162 7.703 6.424 1.00 42.01 C ATOM 1132 C ASP A 71 -12.200 6.160 6.494 1.00 24.54 C ATOM 1133 O ASP A 71 -11.980 5.476 5.492 1.00 62.45 O ATOM 1134 CB ASP A 71 -13.548 8.277 6.091 1.00 71.24 C ATOM 1135 CG ASP A 71 -14.638 7.782 7.022 1.00 34.34 C ATOM 1136 OD1 ASP A 71 -14.503 7.955 8.250 1.00 14.05 O ATOM 1137 OD2 ASP A 71 -15.638 7.219 6.532 1.00 43.42 O ATOM 0 H ASP A 71 -11.647 8.526 4.565 1.00 4.45 H new ATOM 0 HA ASP A 71 -11.847 8.053 7.407 1.00 42.01 H new ATOM 0 HB2 ASP A 71 -13.505 9.365 6.139 1.00 71.24 H new ATOM 0 HB3 ASP A 71 -13.807 8.013 5.066 1.00 71.24 H new ATOM 1142 N TYR A 72 -12.477 5.617 7.684 1.00 53.43 N ATOM 1143 CA TYR A 72 -12.495 4.163 7.887 1.00 31.32 C ATOM 1144 C TYR A 72 -13.593 3.484 7.042 1.00 61.32 C ATOM 1145 O TYR A 72 -14.778 3.807 7.161 1.00 44.14 O ATOM 1146 CB TYR A 72 -12.684 3.828 9.374 1.00 62.40 C ATOM 1147 CG TYR A 72 -12.527 2.350 9.685 1.00 65.15 C ATOM 1148 CD1 TYR A 72 -11.270 1.753 9.681 1.00 61.13 C ATOM 1149 CD2 TYR A 72 -13.629 1.550 9.970 1.00 33.43 C ATOM 1150 CE1 TYR A 72 -11.117 0.409 9.953 1.00 13.33 C ATOM 1151 CE2 TYR A 72 -13.481 0.202 10.241 1.00 34.11 C ATOM 1152 CZ TYR A 72 -12.224 -0.361 10.230 1.00 4.32 C ATOM 1153 OH TYR A 72 -12.068 -1.707 10.497 1.00 2.21 O ATOM 0 H TYR A 72 -12.692 6.160 8.520 1.00 53.43 H new ATOM 0 HA TYR A 72 -11.532 3.774 7.557 1.00 31.32 H new ATOM 0 HB2 TYR A 72 -11.960 4.394 9.961 1.00 62.40 H new ATOM 0 HB3 TYR A 72 -13.675 4.155 9.689 1.00 62.40 H new ATOM 0 HD1 TYR A 72 -10.399 2.352 9.461 1.00 61.13 H new ATOM 0 HD2 TYR A 72 -14.616 1.989 9.980 1.00 33.43 H new ATOM 0 HE1 TYR A 72 -10.133 -0.037 9.949 1.00 13.33 H new ATOM 0 HE2 TYR A 72 -14.346 -0.406 10.460 1.00 34.11 H new ATOM 0 HH TYR A 72 -12.944 -2.109 10.674 1.00 2.21 H new ATOM 1163 N ASN A 73 -13.179 2.536 6.198 1.00 72.44 N ATOM 1164 CA ASN A 73 -14.084 1.827 5.279 1.00 13.41 C ATOM 1165 C ASN A 73 -14.705 2.776 4.240 1.00 44.35 C ATOM 1166 O ASN A 73 -15.822 2.549 3.767 1.00 73.13 O ATOM 1167 CB ASN A 73 -15.188 1.082 6.046 1.00 52.44 C ATOM 1168 CG ASN A 73 -14.654 -0.088 6.852 1.00 23.23 C ATOM 1169 OD1 ASN A 73 -13.631 -0.680 6.516 1.00 11.12 O ATOM 1170 ND2 ASN A 73 -15.349 -0.443 7.913 1.00 13.51 N ATOM 0 H ASN A 73 -12.207 2.235 6.129 1.00 72.44 H new ATOM 0 HA ASN A 73 -13.479 1.095 4.745 1.00 13.41 H new ATOM 0 HB2 ASN A 73 -15.693 1.778 6.715 1.00 52.44 H new ATOM 0 HB3 ASN A 73 -15.935 0.720 5.339 1.00 52.44 H new ATOM 0 HD21 ASN A 73 -15.042 -1.231 8.483 1.00 13.51 H new ATOM 0 HD22 ASN A 73 -16.194 0.070 8.164 1.00 13.51 H new ATOM 1177 N ALA A 74 -13.974 3.828 3.878 1.00 12.02 N ATOM 1178 CA ALA A 74 -14.412 4.748 2.824 1.00 23.11 C ATOM 1179 C ALA A 74 -14.113 4.181 1.426 1.00 21.22 C ATOM 1180 O ALA A 74 -13.164 3.414 1.247 1.00 31.33 O ATOM 1181 CB ALA A 74 -13.748 6.109 2.997 1.00 11.00 C ATOM 0 H ALA A 74 -13.075 4.067 4.297 1.00 12.02 H new ATOM 0 HA ALA A 74 -15.492 4.868 2.913 1.00 23.11 H new ATOM 0 HB1 ALA A 74 -14.083 6.781 2.207 1.00 11.00 H new ATOM 0 HB2 ALA A 74 -14.020 6.526 3.967 1.00 11.00 H new ATOM 0 HB3 ALA A 74 -12.665 5.995 2.941 1.00 11.00 H new ATOM 1187 N ARG A 75 -14.926 4.564 0.438 1.00 72.43 N ATOM 1188 CA ARG A 75 -14.766 4.074 -0.939 1.00 52.32 C ATOM 1189 C ARG A 75 -13.461 4.592 -1.574 1.00 73.35 C ATOM 1190 O ARG A 75 -13.232 5.800 -1.636 1.00 42.22 O ATOM 1191 CB ARG A 75 -15.960 4.511 -1.799 1.00 53.32 C ATOM 1192 CG ARG A 75 -17.325 4.135 -1.221 1.00 72.12 C ATOM 1193 CD ARG A 75 -18.457 4.584 -2.139 1.00 55.30 C ATOM 1194 NE ARG A 75 -18.334 5.998 -2.497 1.00 45.42 N ATOM 1195 CZ ARG A 75 -19.026 6.588 -3.435 1.00 1.41 C ATOM 1196 NH1 ARG A 75 -19.939 5.952 -4.091 1.00 53.30 N ATOM 1197 NH2 ARG A 75 -18.813 7.832 -3.706 1.00 53.23 N ATOM 0 H ARG A 75 -15.703 5.212 0.563 1.00 72.43 H new ATOM 0 HA ARG A 75 -14.721 2.986 -0.898 1.00 52.32 H new ATOM 0 HB2 ARG A 75 -15.920 5.592 -1.932 1.00 53.32 H new ATOM 0 HB3 ARG A 75 -15.862 4.065 -2.789 1.00 53.32 H new ATOM 0 HG2 ARG A 75 -17.377 3.056 -1.077 1.00 72.12 H new ATOM 0 HG3 ARG A 75 -17.446 4.594 -0.240 1.00 72.12 H new ATOM 0 HD2 ARG A 75 -18.454 3.978 -3.045 1.00 55.30 H new ATOM 0 HD3 ARG A 75 -19.414 4.415 -1.646 1.00 55.30 H new ATOM 0 HE ARG A 75 -17.661 6.562 -1.978 1.00 45.42 H new ATOM 0 HH11 ARG A 75 -20.130 4.972 -3.880 1.00 53.30 H new ATOM 0 HH12 ARG A 75 -20.469 6.429 -4.820 1.00 53.30 H new ATOM 0 HH21 ARG A 75 -18.105 8.353 -3.188 1.00 53.23 H new ATOM 0 HH22 ARG A 75 -19.352 8.294 -4.438 1.00 53.23 H new ATOM 1211 N VAL A 76 -12.624 3.679 -2.067 1.00 62.41 N ATOM 1212 CA VAL A 76 -11.336 4.044 -2.674 1.00 64.44 C ATOM 1213 C VAL A 76 -11.090 3.298 -3.996 1.00 63.24 C ATOM 1214 O VAL A 76 -11.596 2.200 -4.209 1.00 34.50 O ATOM 1215 CB VAL A 76 -10.153 3.763 -1.711 1.00 15.35 C ATOM 1216 CG1 VAL A 76 -10.242 4.642 -0.465 1.00 54.35 C ATOM 1217 CG2 VAL A 76 -10.102 2.284 -1.327 1.00 1.04 C ATOM 0 H VAL A 76 -12.813 2.677 -2.059 1.00 62.41 H new ATOM 0 HA VAL A 76 -11.390 5.113 -2.878 1.00 64.44 H new ATOM 0 HB VAL A 76 -9.229 4.010 -2.234 1.00 15.35 H new ATOM 0 HG11 VAL A 76 -9.401 4.425 0.194 1.00 54.35 H new ATOM 0 HG12 VAL A 76 -10.213 5.692 -0.757 1.00 54.35 H new ATOM 0 HG13 VAL A 76 -11.176 4.437 0.059 1.00 54.35 H new ATOM 0 HG21 VAL A 76 -9.264 2.112 -0.651 1.00 1.04 H new ATOM 0 HG22 VAL A 76 -11.031 2.005 -0.831 1.00 1.04 H new ATOM 0 HG23 VAL A 76 -9.974 1.679 -2.225 1.00 1.04 H new ATOM 1227 N GLU A 77 -10.313 3.914 -4.882 1.00 23.44 N ATOM 1228 CA GLU A 77 -9.922 3.292 -6.151 1.00 14.11 C ATOM 1229 C GLU A 77 -8.438 3.553 -6.454 1.00 41.35 C ATOM 1230 O GLU A 77 -7.790 4.369 -5.791 1.00 33.23 O ATOM 1231 CB GLU A 77 -10.804 3.802 -7.299 1.00 24.22 C ATOM 1232 CG GLU A 77 -10.739 5.310 -7.510 1.00 1.02 C ATOM 1233 CD GLU A 77 -11.474 5.752 -8.765 1.00 63.11 C ATOM 1234 OE1 GLU A 77 -12.716 5.890 -8.720 1.00 20.21 O ATOM 1235 OE2 GLU A 77 -10.814 5.929 -9.813 1.00 62.21 O ATOM 0 H GLU A 77 -9.937 4.852 -4.746 1.00 23.44 H new ATOM 0 HA GLU A 77 -10.066 2.216 -6.058 1.00 14.11 H new ATOM 0 HB2 GLU A 77 -10.506 3.304 -8.221 1.00 24.22 H new ATOM 0 HB3 GLU A 77 -11.838 3.517 -7.103 1.00 24.22 H new ATOM 0 HG2 GLU A 77 -11.169 5.814 -6.644 1.00 1.02 H new ATOM 0 HG3 GLU A 77 -9.696 5.620 -7.575 1.00 1.02 H new ATOM 1242 N LEU A 78 -7.905 2.867 -7.461 1.00 72.34 N ATOM 1243 CA LEU A 78 -6.473 2.938 -7.767 1.00 1.20 C ATOM 1244 C LEU A 78 -6.170 3.730 -9.049 1.00 53.15 C ATOM 1245 O LEU A 78 -7.004 3.852 -9.947 1.00 23.44 O ATOM 1246 CB LEU A 78 -5.893 1.523 -7.887 1.00 63.31 C ATOM 1247 CG LEU A 78 -5.952 0.685 -6.599 1.00 22.45 C ATOM 1248 CD1 LEU A 78 -5.339 -0.697 -6.818 1.00 20.44 C ATOM 1249 CD2 LEU A 78 -5.256 1.420 -5.455 1.00 2.04 C ATOM 0 H LEU A 78 -8.438 2.256 -8.080 1.00 72.34 H new ATOM 0 HA LEU A 78 -6.002 3.472 -6.942 1.00 1.20 H new ATOM 0 HB2 LEU A 78 -6.430 0.992 -8.673 1.00 63.31 H new ATOM 0 HB3 LEU A 78 -4.854 1.599 -8.206 1.00 63.31 H new ATOM 0 HG LEU A 78 -6.998 0.543 -6.328 1.00 22.45 H new ATOM 0 HD11 LEU A 78 -5.393 -1.270 -5.892 1.00 20.44 H new ATOM 0 HD12 LEU A 78 -5.889 -1.219 -7.601 1.00 20.44 H new ATOM 0 HD13 LEU A 78 -4.297 -0.589 -7.118 1.00 20.44 H new ATOM 0 HD21 LEU A 78 -5.306 0.815 -4.550 1.00 2.04 H new ATOM 0 HD22 LEU A 78 -4.213 1.596 -5.717 1.00 2.04 H new ATOM 0 HD23 LEU A 78 -5.752 2.375 -5.281 1.00 2.04 H new ATOM 1261 N ILE A 79 -4.954 4.267 -9.108 1.00 25.30 N ATOM 1262 CA ILE A 79 -4.434 4.945 -10.297 1.00 10.32 C ATOM 1263 C ILE A 79 -3.302 4.102 -10.917 1.00 52.31 C ATOM 1264 O ILE A 79 -2.271 3.891 -10.280 1.00 34.12 O ATOM 1265 CB ILE A 79 -3.890 6.353 -9.934 1.00 52.22 C ATOM 1266 CG1 ILE A 79 -4.952 7.168 -9.168 1.00 61.51 C ATOM 1267 CG2 ILE A 79 -3.438 7.106 -11.186 1.00 5.11 C ATOM 1268 CD1 ILE A 79 -6.226 7.416 -9.947 1.00 2.55 C ATOM 0 H ILE A 79 -4.296 4.245 -8.329 1.00 25.30 H new ATOM 0 HA ILE A 79 -5.247 5.060 -11.014 1.00 10.32 H new ATOM 0 HB ILE A 79 -3.024 6.220 -9.286 1.00 52.22 H new ATOM 0 HG12 ILE A 79 -5.200 6.644 -8.245 1.00 61.51 H new ATOM 0 HG13 ILE A 79 -4.521 8.128 -8.883 1.00 61.51 H new ATOM 0 HG21 ILE A 79 -3.061 8.089 -10.903 1.00 5.11 H new ATOM 0 HG22 ILE A 79 -2.647 6.544 -11.683 1.00 5.11 H new ATOM 0 HG23 ILE A 79 -4.282 7.223 -11.865 1.00 5.11 H new ATOM 0 HD11 ILE A 79 -6.919 7.995 -9.337 1.00 2.55 H new ATOM 0 HD12 ILE A 79 -5.994 7.969 -10.857 1.00 2.55 H new ATOM 0 HD13 ILE A 79 -6.684 6.462 -10.209 1.00 2.55 H new ATOM 1280 N ASN A 80 -3.505 3.616 -12.145 1.00 12.52 N ATOM 1281 CA ASN A 80 -2.566 2.680 -12.797 1.00 11.30 C ATOM 1282 C ASN A 80 -2.282 1.441 -11.917 1.00 3.35 C ATOM 1283 O ASN A 80 -1.227 1.341 -11.287 1.00 74.00 O ATOM 1284 CB ASN A 80 -1.242 3.372 -13.167 1.00 33.34 C ATOM 1285 CG ASN A 80 -1.407 4.419 -14.254 1.00 51.22 C ATOM 1286 OD1 ASN A 80 -1.576 5.665 -13.867 1.00 61.11 O flip ATOM 1287 ND2 ASN A 80 -1.352 4.112 -15.442 1.00 0.13 N flip ATOM 0 H ASN A 80 -4.316 3.854 -12.716 1.00 12.52 H new ATOM 0 HA ASN A 80 -3.052 2.345 -13.713 1.00 11.30 H new ATOM 0 HB2 ASN A 80 -0.822 3.842 -12.277 1.00 33.34 H new ATOM 0 HB3 ASN A 80 -0.525 2.621 -13.499 1.00 33.34 H new ATOM 0 HD21 ASN A 80 -1.220 3.137 -15.711 1.00 0.13 H new ATOM 0 HD22 ASN A 80 -1.438 4.832 -16.159 1.00 0.13 H new ATOM 1294 N PRO A 81 -3.239 0.495 -11.838 1.00 30.32 N ATOM 1295 CA PRO A 81 -3.085 -0.726 -11.030 1.00 10.45 C ATOM 1296 C PRO A 81 -2.273 -1.843 -11.723 1.00 22.42 C ATOM 1297 O PRO A 81 -2.535 -2.205 -12.870 1.00 51.12 O ATOM 1298 CB PRO A 81 -4.535 -1.166 -10.817 1.00 33.35 C ATOM 1299 CG PRO A 81 -5.251 -0.716 -12.049 1.00 55.54 C ATOM 1300 CD PRO A 81 -4.552 0.543 -12.517 1.00 40.34 C ATOM 0 HA PRO A 81 -2.524 -0.533 -10.116 1.00 10.45 H new ATOM 0 HB2 PRO A 81 -4.607 -2.246 -10.689 1.00 33.35 H new ATOM 0 HB3 PRO A 81 -4.960 -0.710 -9.923 1.00 33.35 H new ATOM 0 HG2 PRO A 81 -5.219 -1.486 -12.819 1.00 55.54 H new ATOM 0 HG3 PRO A 81 -6.302 -0.520 -11.837 1.00 55.54 H new ATOM 0 HD2 PRO A 81 -4.441 0.558 -13.601 1.00 40.34 H new ATOM 0 HD3 PRO A 81 -5.112 1.437 -12.241 1.00 40.34 H new ATOM 1308 N ILE A 82 -1.294 -2.396 -11.005 1.00 23.53 N ATOM 1309 CA ILE A 82 -0.500 -3.538 -11.492 1.00 34.10 C ATOM 1310 C ILE A 82 -0.386 -4.629 -10.411 1.00 33.35 C ATOM 1311 O ILE A 82 -0.597 -4.364 -9.237 1.00 62.24 O ATOM 1312 CB ILE A 82 0.935 -3.117 -11.916 1.00 30.22 C ATOM 1313 CG1 ILE A 82 1.713 -2.556 -10.711 1.00 63.53 C ATOM 1314 CG2 ILE A 82 0.892 -2.101 -13.061 1.00 73.42 C ATOM 1315 CD1 ILE A 82 3.189 -2.336 -10.974 1.00 33.22 C ATOM 0 H ILE A 82 -1.026 -2.072 -10.076 1.00 23.53 H new ATOM 0 HA ILE A 82 -1.026 -3.925 -12.364 1.00 34.10 H new ATOM 0 HB ILE A 82 1.457 -4.003 -12.276 1.00 30.22 H new ATOM 0 HG12 ILE A 82 1.264 -1.609 -10.411 1.00 63.53 H new ATOM 0 HG13 ILE A 82 1.603 -3.241 -9.871 1.00 63.53 H new ATOM 0 HG21 ILE A 82 1.909 -1.823 -13.339 1.00 73.42 H new ATOM 0 HG22 ILE A 82 0.389 -2.543 -13.921 1.00 73.42 H new ATOM 0 HG23 ILE A 82 0.348 -1.213 -12.739 1.00 73.42 H new ATOM 0 HD11 ILE A 82 3.663 -1.940 -10.076 1.00 33.22 H new ATOM 0 HD12 ILE A 82 3.656 -3.283 -11.243 1.00 33.22 H new ATOM 0 HD13 ILE A 82 3.311 -1.626 -11.792 1.00 33.22 H new ATOM 1327 N ALA A 83 -0.049 -5.853 -10.803 1.00 54.31 N ATOM 1328 CA ALA A 83 0.142 -6.947 -9.838 1.00 43.44 C ATOM 1329 C ALA A 83 1.638 -7.226 -9.597 1.00 21.13 C ATOM 1330 O ALA A 83 2.444 -7.187 -10.529 1.00 34.12 O ATOM 1331 CB ALA A 83 -0.575 -8.207 -10.314 1.00 3.03 C ATOM 0 H ALA A 83 0.099 -6.119 -11.777 1.00 54.31 H new ATOM 0 HA ALA A 83 -0.293 -6.639 -8.887 1.00 43.44 H new ATOM 0 HB1 ALA A 83 -0.424 -9.007 -9.589 1.00 3.03 H new ATOM 0 HB2 ALA A 83 -1.641 -8.003 -10.413 1.00 3.03 H new ATOM 0 HB3 ALA A 83 -0.172 -8.512 -11.280 1.00 3.03 H new ATOM 1337 N ASP A 84 2.006 -7.503 -8.344 1.00 51.43 N ATOM 1338 CA ASP A 84 3.409 -7.740 -7.982 1.00 72.24 C ATOM 1339 C ASP A 84 3.831 -9.190 -8.319 1.00 73.12 C ATOM 1340 O ASP A 84 2.987 -10.067 -8.513 1.00 13.01 O ATOM 1341 CB ASP A 84 3.611 -7.440 -6.485 1.00 13.24 C ATOM 1342 CG ASP A 84 5.058 -7.117 -6.127 1.00 74.31 C ATOM 1343 OD1 ASP A 84 5.946 -7.933 -6.419 1.00 61.31 O ATOM 1344 OD2 ASP A 84 5.313 -6.032 -5.562 1.00 64.33 O ATOM 0 H ASP A 84 1.354 -7.569 -7.562 1.00 51.43 H new ATOM 0 HA ASP A 84 4.043 -7.072 -8.565 1.00 72.24 H new ATOM 0 HB2 ASP A 84 2.977 -6.600 -6.201 1.00 13.24 H new ATOM 0 HB3 ASP A 84 3.282 -8.300 -5.901 1.00 13.24 H new ATOM 1522 N TRP A 98 -2.646 -12.209 -2.259 1.00 61.23 N ATOM 1523 CA TRP A 98 -2.158 -11.504 -3.451 1.00 64.14 C ATOM 1524 C TRP A 98 -1.954 -9.988 -3.245 1.00 3.22 C ATOM 1525 O TRP A 98 -2.836 -9.252 -2.755 1.00 74.30 O ATOM 1526 CB TRP A 98 -3.054 -11.789 -4.669 1.00 64.03 C ATOM 1527 CG TRP A 98 -4.462 -11.268 -4.587 1.00 34.14 C ATOM 1528 CD1 TRP A 98 -5.282 -11.224 -3.494 1.00 21.21 C ATOM 1529 CD2 TRP A 98 -5.222 -10.743 -5.679 1.00 1.41 C ATOM 1530 NE1 TRP A 98 -6.501 -10.697 -3.842 1.00 51.42 N ATOM 1531 CE2 TRP A 98 -6.490 -10.399 -5.182 1.00 41.23 C ATOM 1532 CE3 TRP A 98 -4.948 -10.534 -7.035 1.00 42.30 C ATOM 1533 CZ2 TRP A 98 -7.480 -9.853 -5.992 1.00 34.33 C ATOM 1534 CZ3 TRP A 98 -5.930 -9.990 -7.836 1.00 44.32 C ATOM 1535 CH2 TRP A 98 -7.184 -9.658 -7.313 1.00 31.44 C ATOM 0 HA TRP A 98 -1.164 -11.906 -3.646 1.00 64.14 H new ATOM 0 HB2 TRP A 98 -2.580 -11.361 -5.552 1.00 64.03 H new ATOM 0 HB3 TRP A 98 -3.095 -12.868 -4.821 1.00 64.03 H new ATOM 0 HD1 TRP A 98 -5.011 -11.555 -2.502 1.00 21.21 H new ATOM 0 HE1 TRP A 98 -7.287 -10.551 -3.208 1.00 51.42 H new ATOM 0 HE3 TRP A 98 -3.984 -10.794 -7.447 1.00 42.30 H new ATOM 0 HZ2 TRP A 98 -8.449 -9.592 -5.592 1.00 34.33 H new ATOM 0 HZ3 TRP A 98 -5.728 -9.818 -8.883 1.00 44.32 H new ATOM 0 HH2 TRP A 98 -7.935 -9.239 -7.966 1.00 31.44 H new ATOM 1546 N TYR A 99 -0.756 -9.543 -3.632 1.00 55.11 N ATOM 1547 CA TYR A 99 -0.370 -8.140 -3.561 1.00 60.52 C ATOM 1548 C TYR A 99 -0.593 -7.428 -4.898 1.00 32.50 C ATOM 1549 O TYR A 99 0.076 -7.715 -5.897 1.00 43.33 O ATOM 1550 CB TYR A 99 1.105 -8.004 -3.165 1.00 75.42 C ATOM 1551 CG TYR A 99 1.426 -8.452 -1.753 1.00 13.41 C ATOM 1552 CD1 TYR A 99 1.617 -9.795 -1.447 1.00 12.42 C ATOM 1553 CD2 TYR A 99 1.538 -7.522 -0.727 1.00 25.22 C ATOM 1554 CE1 TYR A 99 1.923 -10.193 -0.160 1.00 33.22 C ATOM 1555 CE2 TYR A 99 1.841 -7.915 0.561 1.00 22.32 C ATOM 1556 CZ TYR A 99 2.031 -9.251 0.841 1.00 12.20 C ATOM 1557 OH TYR A 99 2.343 -9.646 2.123 1.00 4.42 O ATOM 0 H TYR A 99 -0.027 -10.152 -4.004 1.00 55.11 H new ATOM 0 HA TYR A 99 -0.999 -7.673 -2.803 1.00 60.52 H new ATOM 0 HB2 TYR A 99 1.709 -8.585 -3.862 1.00 75.42 H new ATOM 0 HB3 TYR A 99 1.403 -6.961 -3.277 1.00 75.42 H new ATOM 0 HD1 TYR A 99 1.525 -10.537 -2.226 1.00 12.42 H new ATOM 0 HD2 TYR A 99 1.385 -6.474 -0.941 1.00 25.22 H new ATOM 0 HE1 TYR A 99 2.077 -11.239 0.061 1.00 33.22 H new ATOM 0 HE2 TYR A 99 1.929 -7.179 1.346 1.00 22.32 H new ATOM 0 HH TYR A 99 2.382 -8.860 2.707 1.00 4.42 H new ATOM 1567 N ILE A 100 -1.533 -6.500 -4.909 1.00 53.23 N ATOM 1568 CA ILE A 100 -1.741 -5.623 -6.058 1.00 34.32 C ATOM 1569 C ILE A 100 -0.992 -4.306 -5.809 1.00 30.44 C ATOM 1570 O ILE A 100 -0.549 -4.050 -4.696 1.00 73.51 O ATOM 1571 CB ILE A 100 -3.255 -5.361 -6.311 1.00 10.11 C ATOM 1572 CG1 ILE A 100 -4.030 -6.691 -6.284 1.00 3.34 C ATOM 1573 CG2 ILE A 100 -3.481 -4.651 -7.647 1.00 45.25 C ATOM 1574 CD1 ILE A 100 -5.476 -6.563 -6.710 1.00 22.02 C ATOM 0 H ILE A 100 -2.171 -6.330 -4.131 1.00 53.23 H new ATOM 0 HA ILE A 100 -1.352 -6.107 -6.953 1.00 34.32 H new ATOM 0 HB ILE A 100 -3.623 -4.711 -5.517 1.00 10.11 H new ATOM 0 HG12 ILE A 100 -3.530 -7.406 -6.938 1.00 3.34 H new ATOM 0 HG13 ILE A 100 -3.993 -7.102 -5.275 1.00 3.34 H new ATOM 0 HG21 ILE A 100 -4.548 -4.483 -7.794 1.00 45.25 H new ATOM 0 HG22 ILE A 100 -2.960 -3.694 -7.643 1.00 45.25 H new ATOM 0 HG23 ILE A 100 -3.097 -5.270 -8.458 1.00 45.25 H new ATOM 0 HD11 ILE A 100 -5.956 -7.540 -6.665 1.00 22.02 H new ATOM 0 HD12 ILE A 100 -5.993 -5.874 -6.042 1.00 22.02 H new ATOM 0 HD13 ILE A 100 -5.522 -6.182 -7.730 1.00 22.02 H new ATOM 1586 N LYS A 101 -0.803 -3.491 -6.834 1.00 30.05 N ATOM 1587 CA LYS A 101 -0.036 -2.248 -6.695 1.00 45.44 C ATOM 1588 C LYS A 101 -0.687 -1.118 -7.491 1.00 70.13 C ATOM 1589 O LYS A 101 -1.522 -1.361 -8.363 1.00 25.24 O ATOM 1590 CB LYS A 101 1.412 -2.451 -7.178 1.00 23.31 C ATOM 1591 CG LYS A 101 2.013 -3.794 -6.778 1.00 65.14 C ATOM 1592 CD LYS A 101 3.487 -3.903 -7.137 1.00 11.22 C ATOM 1593 CE LYS A 101 4.353 -3.023 -6.246 1.00 53.45 C ATOM 1594 NZ LYS A 101 5.781 -3.418 -6.311 1.00 61.34 N ATOM 0 H LYS A 101 -1.166 -3.661 -7.772 1.00 30.05 H new ATOM 0 HA LYS A 101 -0.026 -1.976 -5.640 1.00 45.44 H new ATOM 0 HB2 LYS A 101 1.439 -2.361 -8.264 1.00 23.31 H new ATOM 0 HB3 LYS A 101 2.034 -1.651 -6.776 1.00 23.31 H new ATOM 0 HG2 LYS A 101 1.892 -3.937 -5.704 1.00 65.14 H new ATOM 0 HG3 LYS A 101 1.462 -4.596 -7.270 1.00 65.14 H new ATOM 0 HD2 LYS A 101 3.808 -4.941 -7.045 1.00 11.22 H new ATOM 0 HD3 LYS A 101 3.629 -3.617 -8.179 1.00 11.22 H new ATOM 0 HE2 LYS A 101 4.249 -1.982 -6.550 1.00 53.45 H new ATOM 0 HE3 LYS A 101 4.003 -3.091 -5.216 1.00 53.45 H new ATOM 0 HZ1 LYS A 101 6.380 -2.573 -6.218 1.00 61.34 H new ATOM 0 HZ2 LYS A 101 5.994 -4.080 -5.537 1.00 61.34 H new ATOM 0 HZ3 LYS A 101 5.972 -3.879 -7.223 1.00 61.34 H new ATOM 1608 N ALA A 102 -0.299 0.113 -7.195 1.00 33.11 N ATOM 1609 CA ALA A 102 -0.845 1.274 -7.901 1.00 41.44 C ATOM 1610 C ALA A 102 0.122 2.459 -7.882 1.00 62.13 C ATOM 1611 O ALA A 102 0.978 2.565 -7.006 1.00 55.04 O ATOM 1612 CB ALA A 102 -2.179 1.684 -7.290 1.00 3.02 C ATOM 0 H ALA A 102 0.388 0.339 -6.476 1.00 33.11 H new ATOM 0 HA ALA A 102 -0.995 0.983 -8.941 1.00 41.44 H new ATOM 0 HB1 ALA A 102 -2.574 2.548 -7.824 1.00 3.02 H new ATOM 0 HB2 ALA A 102 -2.884 0.856 -7.367 1.00 3.02 H new ATOM 0 HB3 ALA A 102 -2.035 1.941 -6.241 1.00 3.02 H new ATOM 1618 N ASP A 103 -0.023 3.345 -8.858 1.00 14.40 N ATOM 1619 CA ASP A 103 0.752 4.582 -8.905 1.00 53.44 C ATOM 1620 C ASP A 103 0.217 5.588 -7.866 1.00 4.42 C ATOM 1621 O ASP A 103 0.927 6.502 -7.445 1.00 62.24 O ATOM 1622 CB ASP A 103 0.687 5.179 -10.320 1.00 11.53 C ATOM 1623 CG ASP A 103 1.669 6.317 -10.524 1.00 43.22 C ATOM 1624 OD1 ASP A 103 2.866 6.130 -10.226 1.00 0.21 O ATOM 1625 OD2 ASP A 103 1.254 7.397 -10.993 1.00 73.52 O ATOM 0 H ASP A 103 -0.675 3.230 -9.634 1.00 14.40 H new ATOM 0 HA ASP A 103 1.792 4.363 -8.662 1.00 53.44 H new ATOM 0 HB2 ASP A 103 0.890 4.395 -11.050 1.00 11.53 H new ATOM 0 HB3 ASP A 103 -0.324 5.539 -10.511 1.00 11.53 H new ATOM 1630 N ASP A 104 -1.045 5.400 -7.460 1.00 54.21 N ATOM 1631 CA ASP A 104 -1.683 6.250 -6.445 1.00 2.21 C ATOM 1632 C ASP A 104 -3.051 5.683 -6.012 1.00 4.32 C ATOM 1633 O ASP A 104 -3.648 4.856 -6.706 1.00 30.41 O ATOM 1634 CB ASP A 104 -1.831 7.684 -6.983 1.00 42.35 C ATOM 1635 CG ASP A 104 -2.472 8.638 -5.990 1.00 30.24 C ATOM 1636 OD1 ASP A 104 -2.163 8.551 -4.782 1.00 23.03 O ATOM 1637 OD2 ASP A 104 -3.275 9.497 -6.413 1.00 41.53 O ATOM 0 H ASP A 104 -1.649 4.662 -7.822 1.00 54.21 H new ATOM 0 HA ASP A 104 -1.045 6.266 -5.562 1.00 2.21 H new ATOM 0 HB2 ASP A 104 -0.847 8.064 -7.258 1.00 42.35 H new ATOM 0 HB3 ASP A 104 -2.430 7.663 -7.893 1.00 42.35 H new ATOM 1642 N ILE A 105 -3.530 6.127 -4.849 1.00 41.21 N ATOM 1643 CA ILE A 105 -4.819 5.685 -4.301 1.00 63.33 C ATOM 1644 C ILE A 105 -5.705 6.892 -3.946 1.00 34.25 C ATOM 1645 O ILE A 105 -5.303 7.754 -3.162 1.00 4.31 O ATOM 1646 CB ILE A 105 -4.631 4.823 -3.023 1.00 64.12 C ATOM 1647 CG1 ILE A 105 -3.651 3.666 -3.282 1.00 2.21 C ATOM 1648 CG2 ILE A 105 -5.982 4.291 -2.529 1.00 4.21 C ATOM 1649 CD1 ILE A 105 -3.432 2.766 -2.083 1.00 65.24 C ATOM 0 H ILE A 105 -3.040 6.800 -4.260 1.00 41.21 H new ATOM 0 HA ILE A 105 -5.299 5.083 -5.073 1.00 63.33 H new ATOM 0 HB ILE A 105 -4.206 5.456 -2.244 1.00 64.12 H new ATOM 0 HG12 ILE A 105 -4.025 3.065 -4.111 1.00 2.21 H new ATOM 0 HG13 ILE A 105 -2.692 4.079 -3.594 1.00 2.21 H new ATOM 0 HG21 ILE A 105 -5.830 3.689 -1.633 1.00 4.21 H new ATOM 0 HG22 ILE A 105 -6.640 5.128 -2.297 1.00 4.21 H new ATOM 0 HG23 ILE A 105 -6.437 3.677 -3.306 1.00 4.21 H new ATOM 0 HD11 ILE A 105 -2.729 1.975 -2.345 1.00 65.24 H new ATOM 0 HD12 ILE A 105 -3.028 3.352 -1.257 1.00 65.24 H new ATOM 0 HD13 ILE A 105 -4.381 2.323 -1.783 1.00 65.24 H new ATOM 1661 N VAL A 106 -6.908 6.940 -4.517 1.00 34.00 N ATOM 1662 CA VAL A 106 -7.859 8.035 -4.263 1.00 20.42 C ATOM 1663 C VAL A 106 -9.238 7.489 -3.863 1.00 73.40 C ATOM 1664 O VAL A 106 -9.428 6.278 -3.765 1.00 54.24 O ATOM 1665 CB VAL A 106 -8.016 8.947 -5.509 1.00 24.31 C ATOM 1666 CG1 VAL A 106 -6.695 9.630 -5.854 1.00 61.42 C ATOM 1667 CG2 VAL A 106 -8.544 8.153 -6.706 1.00 12.04 C ATOM 0 H VAL A 106 -7.254 6.231 -5.164 1.00 34.00 H new ATOM 0 HA VAL A 106 -7.453 8.624 -3.440 1.00 20.42 H new ATOM 0 HB VAL A 106 -8.745 9.720 -5.268 1.00 24.31 H new ATOM 0 HG11 VAL A 106 -6.831 10.263 -6.731 1.00 61.42 H new ATOM 0 HG12 VAL A 106 -6.370 10.241 -5.012 1.00 61.42 H new ATOM 0 HG13 VAL A 106 -5.939 8.874 -6.067 1.00 61.42 H new ATOM 0 HG21 VAL A 106 -8.645 8.815 -7.566 1.00 12.04 H new ATOM 0 HG22 VAL A 106 -7.847 7.350 -6.946 1.00 12.04 H new ATOM 0 HG23 VAL A 106 -9.517 7.727 -6.460 1.00 12.04 H new ATOM 1677 N LEU A 107 -10.193 8.381 -3.617 1.00 71.00 N ATOM 1678 CA LEU A 107 -11.567 7.972 -3.293 1.00 45.25 C ATOM 1679 C LEU A 107 -12.338 7.565 -4.560 1.00 51.11 C ATOM 1680 O LEU A 107 -12.148 8.149 -5.628 1.00 62.54 O ATOM 1681 CB LEU A 107 -12.305 9.108 -2.567 1.00 2.32 C ATOM 1682 CG LEU A 107 -11.713 9.511 -1.205 1.00 12.35 C ATOM 1683 CD1 LEU A 107 -12.490 10.680 -0.604 1.00 71.41 C ATOM 1684 CD2 LEU A 107 -11.707 8.325 -0.240 1.00 33.34 C ATOM 0 H LEU A 107 -10.047 9.390 -3.634 1.00 71.00 H new ATOM 0 HA LEU A 107 -11.513 7.105 -2.634 1.00 45.25 H new ATOM 0 HB2 LEU A 107 -12.315 9.985 -3.214 1.00 2.32 H new ATOM 0 HB3 LEU A 107 -13.343 8.809 -2.420 1.00 2.32 H new ATOM 0 HG LEU A 107 -10.682 9.826 -1.367 1.00 12.35 H new ATOM 0 HD11 LEU A 107 -12.055 10.949 0.359 1.00 71.41 H new ATOM 0 HD12 LEU A 107 -12.439 11.536 -1.277 1.00 71.41 H new ATOM 0 HD13 LEU A 107 -13.532 10.391 -0.464 1.00 71.41 H new ATOM 0 HD21 LEU A 107 -11.284 8.635 0.715 1.00 33.34 H new ATOM 0 HD22 LEU A 107 -12.728 7.974 -0.088 1.00 33.34 H new ATOM 0 HD23 LEU A 107 -11.105 7.518 -0.658 1.00 33.34 H new ATOM 1696 N THR A 108 -13.206 6.557 -4.438 1.00 23.14 N ATOM 1697 CA THR A 108 -13.988 6.071 -5.583 1.00 50.15 C ATOM 1698 C THR A 108 -14.933 7.155 -6.116 1.00 35.25 C ATOM 1699 O THR A 108 -15.831 7.617 -5.408 1.00 61.41 O ATOM 1700 CB THR A 108 -14.831 4.820 -5.241 1.00 10.12 C ATOM 1701 OG1 THR A 108 -14.013 3.812 -4.630 1.00 23.55 O ATOM 1702 CG2 THR A 108 -15.479 4.250 -6.497 1.00 1.23 C ATOM 0 H THR A 108 -13.386 6.063 -3.564 1.00 23.14 H new ATOM 0 HA THR A 108 -13.255 5.804 -6.344 1.00 50.15 H new ATOM 0 HB THR A 108 -15.610 5.122 -4.541 1.00 10.12 H new ATOM 0 HG1 THR A 108 -14.562 3.028 -4.419 1.00 23.55 H new ATOM 0 HG21 THR A 108 -16.068 3.371 -6.236 1.00 1.23 H new ATOM 0 HG22 THR A 108 -16.129 5.002 -6.944 1.00 1.23 H new ATOM 0 HG23 THR A 108 -14.704 3.969 -7.211 1.00 1.23 H new