USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 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 45 THR OG1 : rot 180:sc= 0.633 USER MOD Set 1.2: A 60 SER OG : rot -62:sc= 0.714 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -2.21! (180deg=-2.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.596 K(o=0.6,f=-1) USER MOD Single : A 32 ASN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.217 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 28:sc= 0.992 USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= -0.146 (180deg=-2.29!) USER MOD Single : A 50 SER OG : rot -160:sc= -0.716 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -2.2 F(o=-3.8!,f=-2.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 2.44 (180deg=1.62) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.024 F(o=-2.2!,f=-0.024) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0397 F(o=-2!,f=-0.04) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 143:sc= 0.411 (180deg=-0.762) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0795 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.363 -0.601 -4.275 1.00 25.14 N ATOM 282 CA LEU A 19 -13.339 -0.895 -3.270 1.00 45.12 C ATOM 283 C LEU A 19 -13.648 -0.197 -1.940 1.00 51.42 C ATOM 284 O LEU A 19 -14.561 0.629 -1.848 1.00 4.30 O ATOM 285 CB LEU A 19 -11.957 -0.453 -3.782 1.00 23.15 C ATOM 286 CG LEU A 19 -11.541 -1.035 -5.145 1.00 32.13 C ATOM 287 CD1 LEU A 19 -10.176 -0.499 -5.568 1.00 70.23 C ATOM 288 CD2 LEU A 19 -11.535 -2.562 -5.108 1.00 55.15 C ATOM 0 HA LEU A 19 -13.336 -1.971 -3.097 1.00 45.12 H new ATOM 0 HB2 LEU A 19 -11.945 0.635 -3.851 1.00 23.15 H new ATOM 0 HB3 LEU A 19 -11.207 -0.734 -3.042 1.00 23.15 H new ATOM 0 HG LEU A 19 -12.276 -0.719 -5.885 1.00 32.13 H new ATOM 0 HD11 LEU A 19 -9.902 -0.923 -6.534 1.00 70.23 H new ATOM 0 HD12 LEU A 19 -10.221 0.587 -5.648 1.00 70.23 H new ATOM 0 HD13 LEU A 19 -9.429 -0.777 -4.824 1.00 70.23 H new ATOM 0 HD21 LEU A 19 -11.238 -2.948 -6.083 1.00 55.15 H new ATOM 0 HD22 LEU A 19 -10.829 -2.905 -4.351 1.00 55.15 H new ATOM 0 HD23 LEU A 19 -12.534 -2.924 -4.863 1.00 55.15 H new ATOM 300 N LYS A 20 -12.893 -0.536 -0.899 1.00 62.21 N ATOM 301 CA LYS A 20 -13.113 0.066 0.415 1.00 22.14 C ATOM 302 C LYS A 20 -11.868 -0.036 1.307 1.00 54.11 C ATOM 303 O LYS A 20 -11.244 -1.092 1.406 1.00 61.14 O ATOM 304 CB LYS A 20 -14.325 -0.600 1.080 1.00 74.43 C ATOM 305 CG LYS A 20 -14.984 0.237 2.166 1.00 52.42 C ATOM 306 CD LYS A 20 -16.486 -0.039 2.271 1.00 41.24 C ATOM 307 CE LYS A 20 -17.286 0.643 1.155 1.00 14.15 C ATOM 308 NZ LYS A 20 -16.839 0.248 -0.208 1.00 31.23 N ATOM 0 H LYS A 20 -12.133 -1.215 -0.936 1.00 62.21 H new ATOM 0 HA LYS A 20 -13.313 1.129 0.280 1.00 22.14 H new ATOM 0 HB2 LYS A 20 -15.066 -0.827 0.313 1.00 74.43 H new ATOM 0 HB3 LYS A 20 -14.011 -1.551 1.511 1.00 74.43 H new ATOM 0 HG2 LYS A 20 -14.509 0.027 3.124 1.00 52.42 H new ATOM 0 HG3 LYS A 20 -14.824 1.294 1.956 1.00 52.42 H new ATOM 0 HD2 LYS A 20 -16.658 -1.115 2.232 1.00 41.24 H new ATOM 0 HD3 LYS A 20 -16.849 0.308 3.238 1.00 41.24 H new ATOM 0 HE2 LYS A 20 -18.342 0.397 1.270 1.00 14.15 H new ATOM 0 HE3 LYS A 20 -17.197 1.724 1.261 1.00 14.15 H new ATOM 0 HZ1 LYS A 20 -17.534 0.574 -0.909 1.00 31.23 H new ATOM 0 HZ2 LYS A 20 -15.915 0.681 -0.410 1.00 31.23 H new ATOM 0 HZ3 LYS A 20 -16.754 -0.787 -0.259 1.00 31.23 H new ATOM 322 N PHE A 21 -11.513 1.075 1.946 1.00 52.42 N ATOM 323 CA PHE A 21 -10.332 1.146 2.811 1.00 4.14 C ATOM 324 C PHE A 21 -10.554 0.393 4.134 1.00 21.34 C ATOM 325 O PHE A 21 -11.659 0.398 4.677 1.00 75.35 O ATOM 326 CB PHE A 21 -9.996 2.620 3.092 1.00 11.24 C ATOM 327 CG PHE A 21 -8.658 2.840 3.754 1.00 24.24 C ATOM 328 CD1 PHE A 21 -8.517 2.729 5.130 1.00 13.12 C ATOM 329 CD2 PHE A 21 -7.540 3.163 2.996 1.00 74.33 C ATOM 330 CE1 PHE A 21 -7.293 2.934 5.733 1.00 22.42 C ATOM 331 CE2 PHE A 21 -6.315 3.370 3.598 1.00 41.21 C ATOM 332 CZ PHE A 21 -6.190 3.255 4.968 1.00 25.21 C ATOM 0 H PHE A 21 -12.032 1.951 1.881 1.00 52.42 H new ATOM 0 HA PHE A 21 -9.499 0.667 2.296 1.00 4.14 H new ATOM 0 HB2 PHE A 21 -10.017 3.170 2.151 1.00 11.24 H new ATOM 0 HB3 PHE A 21 -10.775 3.043 3.726 1.00 11.24 H new ATOM 0 HD1 PHE A 21 -9.375 2.479 5.736 1.00 13.12 H new ATOM 0 HD2 PHE A 21 -7.630 3.253 1.924 1.00 74.33 H new ATOM 0 HE1 PHE A 21 -7.198 2.843 6.805 1.00 22.42 H new ATOM 0 HE2 PHE A 21 -5.454 3.622 2.997 1.00 41.21 H new ATOM 0 HZ PHE A 21 -5.232 3.416 5.440 1.00 25.21 H new ATOM 342 N SER A 22 -9.507 -0.254 4.651 1.00 51.44 N ATOM 343 CA SER A 22 -9.587 -0.910 5.967 1.00 53.03 C ATOM 344 C SER A 22 -8.480 -0.414 6.909 1.00 12.20 C ATOM 345 O SER A 22 -8.764 0.238 7.918 1.00 40.44 O ATOM 346 CB SER A 22 -9.495 -2.435 5.816 1.00 62.45 C ATOM 347 OG SER A 22 -9.637 -3.087 7.069 1.00 12.22 O ATOM 0 H SER A 22 -8.602 -0.340 4.188 1.00 51.44 H new ATOM 0 HA SER A 22 -10.551 -0.650 6.404 1.00 53.03 H new ATOM 0 HB2 SER A 22 -10.270 -2.782 5.133 1.00 62.45 H new ATOM 0 HB3 SER A 22 -8.536 -2.701 5.372 1.00 62.45 H new ATOM 0 HG SER A 22 -9.576 -4.057 6.942 1.00 12.22 H new ATOM 353 N ALA A 23 -7.219 -0.703 6.576 1.00 4.11 N ATOM 354 CA ALA A 23 -6.079 -0.284 7.412 1.00 1.52 C ATOM 355 C ALA A 23 -4.751 -0.307 6.632 1.00 64.31 C ATOM 356 O ALA A 23 -4.732 -0.533 5.424 1.00 4.44 O ATOM 357 CB ALA A 23 -5.982 -1.170 8.648 1.00 30.53 C ATOM 0 H ALA A 23 -6.957 -1.223 5.738 1.00 4.11 H new ATOM 0 HA ALA A 23 -6.258 0.747 7.719 1.00 1.52 H new ATOM 0 HB1 ALA A 23 -5.137 -0.852 9.258 1.00 30.53 H new ATOM 0 HB2 ALA A 23 -6.901 -1.086 9.229 1.00 30.53 H new ATOM 0 HB3 ALA A 23 -5.839 -2.206 8.342 1.00 30.53 H new ATOM 363 N LEU A 24 -3.642 -0.066 7.337 1.00 45.45 N ATOM 364 CA LEU A 24 -2.296 -0.171 6.749 1.00 52.34 C ATOM 365 C LEU A 24 -1.679 -1.560 7.016 1.00 13.13 C ATOM 366 O LEU A 24 -1.706 -2.057 8.145 1.00 74.45 O ATOM 367 CB LEU A 24 -1.385 0.931 7.315 1.00 64.30 C ATOM 368 CG LEU A 24 0.070 0.929 6.801 1.00 4.15 C ATOM 369 CD1 LEU A 24 0.115 1.078 5.281 1.00 34.42 C ATOM 370 CD2 LEU A 24 0.882 2.036 7.472 1.00 11.51 C ATOM 0 H LEU A 24 -3.646 0.205 8.320 1.00 45.45 H new ATOM 0 HA LEU A 24 -2.386 -0.042 5.670 1.00 52.34 H new ATOM 0 HB2 LEU A 24 -1.831 1.899 7.084 1.00 64.30 H new ATOM 0 HB3 LEU A 24 -1.367 0.839 8.401 1.00 64.30 H new ATOM 0 HG LEU A 24 0.516 -0.031 7.061 1.00 4.15 H new ATOM 0 HD11 LEU A 24 1.152 1.074 4.946 1.00 34.42 H new ATOM 0 HD12 LEU A 24 -0.420 0.249 4.818 1.00 34.42 H new ATOM 0 HD13 LEU A 24 -0.355 2.018 4.994 1.00 34.42 H new ATOM 0 HD21 LEU A 24 1.905 2.017 7.095 1.00 11.51 H new ATOM 0 HD22 LEU A 24 0.432 3.003 7.250 1.00 11.51 H new ATOM 0 HD23 LEU A 24 0.890 1.879 8.551 1.00 11.51 H new ATOM 382 N ARG A 25 -1.113 -2.177 5.974 1.00 75.04 N ATOM 383 CA ARG A 25 -0.537 -3.527 6.084 1.00 21.33 C ATOM 384 C ARG A 25 0.939 -3.486 6.518 1.00 1.53 C ATOM 385 O ARG A 25 1.292 -3.952 7.605 1.00 73.15 O ATOM 386 CB ARG A 25 -0.680 -4.258 4.738 1.00 31.51 C ATOM 387 CG ARG A 25 -0.100 -5.675 4.702 1.00 45.14 C ATOM 388 CD ARG A 25 -0.752 -6.598 5.728 1.00 1.31 C ATOM 389 NE ARG A 25 -0.440 -8.005 5.477 1.00 30.42 N ATOM 390 CZ ARG A 25 -0.397 -8.928 6.399 1.00 25.52 C ATOM 391 NH1 ARG A 25 -0.541 -8.621 7.648 1.00 4.44 N ATOM 392 NH2 ARG A 25 -0.184 -10.160 6.071 1.00 44.51 N ATOM 0 H ARG A 25 -1.040 -1.766 5.044 1.00 75.04 H new ATOM 0 HA ARG A 25 -1.085 -4.068 6.855 1.00 21.33 H new ATOM 0 HB2 ARG A 25 -1.738 -4.309 4.481 1.00 31.51 H new ATOM 0 HB3 ARG A 25 -0.192 -3.663 3.966 1.00 31.51 H new ATOM 0 HG2 ARG A 25 -0.233 -6.094 3.704 1.00 45.14 H new ATOM 0 HG3 ARG A 25 0.973 -5.630 4.888 1.00 45.14 H new ATOM 0 HD2 ARG A 25 -0.414 -6.325 6.728 1.00 1.31 H new ATOM 0 HD3 ARG A 25 -1.833 -6.457 5.707 1.00 1.31 H new ATOM 0 HE ARG A 25 -0.243 -8.284 4.516 1.00 30.42 H new ATOM 0 HH11 ARG A 25 -0.690 -7.649 7.920 1.00 4.44 H new ATOM 0 HH12 ARG A 25 -0.506 -9.351 8.360 1.00 4.44 H new ATOM 0 HH21 ARG A 25 -0.049 -10.411 5.092 1.00 44.51 H new ATOM 0 HH22 ARG A 25 -0.150 -10.881 6.792 1.00 44.51 H new ATOM 406 N ARG A 26 1.793 -2.923 5.665 1.00 70.12 N ATOM 407 CA ARG A 26 3.238 -2.880 5.926 1.00 43.41 C ATOM 408 C ARG A 26 3.949 -1.866 5.018 1.00 24.45 C ATOM 409 O ARG A 26 3.599 -1.712 3.851 1.00 42.43 O ATOM 410 CB ARG A 26 3.863 -4.269 5.703 1.00 54.45 C ATOM 411 CG ARG A 26 5.378 -4.288 5.885 1.00 5.21 C ATOM 412 CD ARG A 26 6.015 -5.590 5.399 1.00 21.32 C ATOM 413 NE ARG A 26 5.567 -6.763 6.144 1.00 63.43 N ATOM 414 CZ ARG A 26 6.354 -7.750 6.490 1.00 23.21 C ATOM 415 NH1 ARG A 26 7.622 -7.706 6.231 1.00 31.31 N ATOM 416 NH2 ARG A 26 5.871 -8.780 7.096 1.00 54.43 N ATOM 0 H ARG A 26 1.513 -2.489 4.785 1.00 70.12 H new ATOM 0 HA ARG A 26 3.368 -2.572 6.963 1.00 43.41 H new ATOM 0 HB2 ARG A 26 3.412 -4.978 6.397 1.00 54.45 H new ATOM 0 HB3 ARG A 26 3.621 -4.611 4.697 1.00 54.45 H new ATOM 0 HG2 ARG A 26 5.815 -3.450 5.343 1.00 5.21 H new ATOM 0 HG3 ARG A 26 5.615 -4.144 6.939 1.00 5.21 H new ATOM 0 HD2 ARG A 26 5.783 -5.728 4.343 1.00 21.32 H new ATOM 0 HD3 ARG A 26 7.099 -5.509 5.480 1.00 21.32 H new ATOM 0 HE ARG A 26 4.584 -6.816 6.410 1.00 63.43 H new ATOM 0 HH11 ARG A 26 8.017 -6.896 5.753 1.00 31.31 H new ATOM 0 HH12 ARG A 26 8.226 -8.481 6.505 1.00 31.31 H new ATOM 0 HH21 ARG A 26 4.874 -8.827 7.307 1.00 54.43 H new ATOM 0 HH22 ARG A 26 6.486 -9.548 7.365 1.00 54.43 H new ATOM 430 N GLU A 27 4.951 -1.179 5.560 1.00 41.12 N ATOM 431 CA GLU A 27 5.822 -0.313 4.758 1.00 63.32 C ATOM 432 C GLU A 27 7.200 -0.973 4.586 1.00 3.34 C ATOM 433 O GLU A 27 8.040 -0.919 5.486 1.00 40.31 O ATOM 434 CB GLU A 27 5.970 1.059 5.435 1.00 61.22 C ATOM 435 CG GLU A 27 4.645 1.781 5.664 1.00 65.23 C ATOM 436 CD GLU A 27 4.813 3.074 6.451 1.00 22.41 C ATOM 437 OE1 GLU A 27 4.776 3.025 7.700 1.00 24.05 O ATOM 438 OE2 GLU A 27 4.996 4.139 5.824 1.00 75.32 O ATOM 0 H GLU A 27 5.183 -1.203 6.553 1.00 41.12 H new ATOM 0 HA GLU A 27 5.374 -0.170 3.775 1.00 63.32 H new ATOM 0 HB2 GLU A 27 6.472 0.928 6.394 1.00 61.22 H new ATOM 0 HB3 GLU A 27 6.614 1.689 4.821 1.00 61.22 H new ATOM 0 HG2 GLU A 27 4.185 2.003 4.701 1.00 65.23 H new ATOM 0 HG3 GLU A 27 3.963 1.120 6.199 1.00 65.23 H new ATOM 445 N VAL A 28 7.428 -1.618 3.439 1.00 73.12 N ATOM 446 CA VAL A 28 8.687 -2.339 3.208 1.00 3.35 C ATOM 447 C VAL A 28 9.862 -1.364 3.001 1.00 71.32 C ATOM 448 O VAL A 28 10.127 -0.888 1.892 1.00 61.44 O ATOM 449 CB VAL A 28 8.574 -3.344 2.025 1.00 33.24 C ATOM 450 CG1 VAL A 28 7.576 -4.452 2.351 1.00 41.12 C ATOM 451 CG2 VAL A 28 8.179 -2.641 0.727 1.00 63.44 C ATOM 0 H VAL A 28 6.767 -1.657 2.663 1.00 73.12 H new ATOM 0 HA VAL A 28 8.891 -2.921 4.107 1.00 3.35 H new ATOM 0 HB VAL A 28 9.558 -3.789 1.879 1.00 33.24 H new ATOM 0 HG11 VAL A 28 7.512 -5.143 1.511 1.00 41.12 H new ATOM 0 HG12 VAL A 28 7.907 -4.990 3.239 1.00 41.12 H new ATOM 0 HG13 VAL A 28 6.595 -4.015 2.536 1.00 41.12 H new ATOM 0 HG21 VAL A 28 8.110 -3.374 -0.077 1.00 63.44 H new ATOM 0 HG22 VAL A 28 7.213 -2.153 0.857 1.00 63.44 H new ATOM 0 HG23 VAL A 28 8.932 -1.895 0.474 1.00 63.44 H new ATOM 461 N ARG A 29 10.543 -1.044 4.098 1.00 24.22 N ATOM 462 CA ARG A 29 11.646 -0.081 4.081 1.00 42.10 C ATOM 463 C ARG A 29 12.974 -0.722 3.653 1.00 74.42 C ATOM 464 O ARG A 29 13.154 -1.939 3.736 1.00 22.21 O ATOM 465 CB ARG A 29 11.802 0.561 5.464 1.00 53.34 C ATOM 466 CG ARG A 29 10.618 1.430 5.875 1.00 2.12 C ATOM 467 CD ARG A 29 10.833 2.062 7.245 1.00 25.31 C ATOM 468 NE ARG A 29 9.819 3.067 7.553 1.00 21.30 N ATOM 469 CZ ARG A 29 10.033 4.112 8.305 1.00 53.20 C ATOM 470 NH1 ARG A 29 11.170 4.266 8.907 1.00 2.32 N ATOM 471 NH2 ARG A 29 9.099 4.985 8.476 1.00 43.01 N ATOM 0 H ARG A 29 10.350 -1.440 5.018 1.00 24.22 H new ATOM 0 HA ARG A 29 11.398 0.682 3.343 1.00 42.10 H new ATOM 0 HB2 ARG A 29 11.939 -0.225 6.206 1.00 53.34 H new ATOM 0 HB3 ARG A 29 12.707 1.168 5.473 1.00 53.34 H new ATOM 0 HG2 ARG A 29 10.466 2.213 5.132 1.00 2.12 H new ATOM 0 HG3 ARG A 29 9.711 0.826 5.891 1.00 2.12 H new ATOM 0 HD2 ARG A 29 10.816 1.285 8.009 1.00 25.31 H new ATOM 0 HD3 ARG A 29 11.821 2.522 7.280 1.00 25.31 H new ATOM 0 HE ARG A 29 8.887 2.945 7.156 1.00 21.30 H new ATOM 0 HH11 ARG A 29 11.905 3.568 8.795 1.00 2.32 H new ATOM 0 HH12 ARG A 29 11.330 5.085 9.493 1.00 2.32 H new ATOM 0 HH21 ARG A 29 8.194 4.858 8.024 1.00 43.01 H new ATOM 0 HH22 ARG A 29 9.266 5.802 9.064 1.00 43.01 H new ATOM 485 N ILE A 30 13.899 0.120 3.206 1.00 4.10 N ATOM 486 CA ILE A 30 15.226 -0.321 2.770 1.00 2.13 C ATOM 487 C ILE A 30 16.156 -0.534 3.974 1.00 14.53 C ATOM 488 O ILE A 30 16.234 0.312 4.864 1.00 25.02 O ATOM 489 CB ILE A 30 15.863 0.721 1.818 1.00 74.41 C ATOM 490 CG1 ILE A 30 14.916 1.010 0.642 1.00 63.24 C ATOM 491 CG2 ILE A 30 17.225 0.239 1.317 1.00 2.00 C ATOM 492 CD1 ILE A 30 15.416 2.080 -0.308 1.00 33.45 C ATOM 0 H ILE A 30 13.754 1.127 3.134 1.00 4.10 H new ATOM 0 HA ILE A 30 15.101 -1.266 2.242 1.00 2.13 H new ATOM 0 HB ILE A 30 16.021 1.647 2.371 1.00 74.41 H new ATOM 0 HG12 ILE A 30 14.757 0.088 0.082 1.00 63.24 H new ATOM 0 HG13 ILE A 30 13.947 1.314 1.037 1.00 63.24 H new ATOM 0 HG21 ILE A 30 17.653 0.987 0.650 1.00 2.00 H new ATOM 0 HG22 ILE A 30 17.891 0.086 2.166 1.00 2.00 H new ATOM 0 HG23 ILE A 30 17.103 -0.700 0.778 1.00 2.00 H new ATOM 0 HD11 ILE A 30 14.691 2.223 -1.109 1.00 33.45 H new ATOM 0 HD12 ILE A 30 15.547 3.016 0.235 1.00 33.45 H new ATOM 0 HD13 ILE A 30 16.370 1.771 -0.734 1.00 33.45 H new ATOM 504 N GLN A 31 16.859 -1.659 4.002 1.00 14.13 N ATOM 505 CA GLN A 31 17.777 -1.957 5.104 1.00 61.30 C ATOM 506 C GLN A 31 19.235 -1.898 4.622 1.00 51.01 C ATOM 507 O GLN A 31 19.597 -2.527 3.626 1.00 61.23 O ATOM 508 CB GLN A 31 17.452 -3.331 5.708 1.00 65.53 C ATOM 509 CG GLN A 31 18.140 -3.600 7.040 1.00 1.42 C ATOM 510 CD GLN A 31 17.658 -4.877 7.707 1.00 75.14 C ATOM 511 OE1 GLN A 31 16.521 -5.306 7.521 1.00 43.43 O ATOM 512 NE2 GLN A 31 18.501 -5.480 8.511 1.00 1.22 N ATOM 0 H GLN A 31 16.815 -2.379 3.281 1.00 14.13 H new ATOM 0 HA GLN A 31 17.649 -1.203 5.881 1.00 61.30 H new ATOM 0 HB2 GLN A 31 16.374 -3.410 5.845 1.00 65.53 H new ATOM 0 HB3 GLN A 31 17.741 -4.106 4.998 1.00 65.53 H new ATOM 0 HG2 GLN A 31 19.216 -3.663 6.881 1.00 1.42 H new ATOM 0 HG3 GLN A 31 17.966 -2.758 7.710 1.00 1.42 H new ATOM 0 HE21 GLN A 31 19.438 -5.100 8.645 1.00 1.22 H new ATOM 0 HE22 GLN A 31 18.219 -6.329 9.002 1.00 1.22 H new ATOM 521 N ASN A 32 20.062 -1.135 5.332 1.00 72.42 N ATOM 522 CA ASN A 32 21.446 -0.884 4.909 1.00 13.21 C ATOM 523 C ASN A 32 22.323 -2.144 4.977 1.00 34.34 C ATOM 524 O ASN A 32 22.072 -3.050 5.773 1.00 34.42 O ATOM 525 CB ASN A 32 22.079 0.213 5.777 1.00 43.13 C ATOM 526 CG ASN A 32 21.337 1.532 5.685 1.00 62.00 C ATOM 527 OD1 ASN A 32 21.596 2.343 4.804 1.00 24.24 O ATOM 528 ND2 ASN A 32 20.420 1.769 6.604 1.00 33.05 N ATOM 0 H ASN A 32 19.801 -0.677 6.205 1.00 72.42 H new ATOM 0 HA ASN A 32 21.399 -0.564 3.868 1.00 13.21 H new ATOM 0 HB2 ASN A 32 22.098 -0.117 6.816 1.00 43.13 H new ATOM 0 HB3 ASN A 32 23.114 0.361 5.470 1.00 43.13 H new ATOM 0 HD21 ASN A 32 19.903 2.648 6.594 1.00 33.05 H new ATOM 0 HD22 ASN A 32 20.228 1.073 7.324 1.00 33.05 H new ATOM 535 N GLU A 33 23.365 -2.179 4.141 1.00 34.04 N ATOM 536 CA GLU A 33 24.379 -3.240 4.200 1.00 34.15 C ATOM 537 C GLU A 33 24.947 -3.372 5.623 1.00 54.40 C ATOM 538 O GLU A 33 25.226 -4.473 6.101 1.00 31.44 O ATOM 539 CB GLU A 33 25.515 -2.939 3.210 1.00 23.43 C ATOM 540 CG GLU A 33 26.159 -1.566 3.415 1.00 41.31 C ATOM 541 CD GLU A 33 27.323 -1.306 2.472 1.00 55.25 C ATOM 542 OE1 GLU A 33 27.078 -0.946 1.302 1.00 14.33 O ATOM 543 OE2 GLU A 33 28.487 -1.460 2.899 1.00 54.02 O ATOM 0 H GLU A 33 23.530 -1.484 3.413 1.00 34.04 H new ATOM 0 HA GLU A 33 23.905 -4.183 3.927 1.00 34.15 H new ATOM 0 HB2 GLU A 33 26.281 -3.708 3.305 1.00 23.43 H new ATOM 0 HB3 GLU A 33 25.126 -3.000 2.194 1.00 23.43 H new ATOM 0 HG2 GLU A 33 25.404 -0.793 3.273 1.00 41.31 H new ATOM 0 HG3 GLU A 33 26.508 -1.485 4.444 1.00 41.31 H new ATOM 550 N ASP A 34 25.097 -2.224 6.288 1.00 44.34 N ATOM 551 CA ASP A 34 25.533 -2.158 7.686 1.00 21.11 C ATOM 552 C ASP A 34 24.695 -3.085 8.586 1.00 34.33 C ATOM 553 O ASP A 34 25.228 -3.787 9.448 1.00 61.15 O ATOM 554 CB ASP A 34 25.424 -0.706 8.170 1.00 51.42 C ATOM 555 CG ASP A 34 25.735 -0.548 9.647 1.00 41.51 C ATOM 556 OD1 ASP A 34 24.807 -0.690 10.470 1.00 31.50 O ATOM 557 OD2 ASP A 34 26.906 -0.286 9.990 1.00 44.12 O ATOM 0 H ASP A 34 24.919 -1.310 5.871 1.00 44.34 H new ATOM 0 HA ASP A 34 26.567 -2.497 7.747 1.00 21.11 H new ATOM 0 HB2 ASP A 34 26.107 -0.084 7.592 1.00 51.42 H new ATOM 0 HB3 ASP A 34 24.416 -0.339 7.975 1.00 51.42 H new ATOM 562 N GLY A 35 23.383 -3.091 8.370 1.00 64.12 N ATOM 563 CA GLY A 35 22.482 -3.897 9.188 1.00 4.10 C ATOM 564 C GLY A 35 21.254 -3.123 9.638 1.00 61.42 C ATOM 565 O GLY A 35 20.147 -3.656 9.656 1.00 21.30 O ATOM 0 H GLY A 35 22.921 -2.550 7.639 1.00 64.12 H new ATOM 0 HA2 GLY A 35 22.167 -4.773 8.621 1.00 4.10 H new ATOM 0 HA3 GLY A 35 23.019 -4.261 10.064 1.00 4.10 H new ATOM 569 N SER A 36 21.447 -1.858 10.003 1.00 70.01 N ATOM 570 CA SER A 36 20.341 -1.011 10.474 1.00 65.34 C ATOM 571 C SER A 36 19.354 -0.674 9.344 1.00 14.12 C ATOM 572 O SER A 36 19.736 -0.556 8.175 1.00 52.13 O ATOM 573 CB SER A 36 20.884 0.284 11.085 1.00 21.05 C ATOM 574 OG SER A 36 21.783 0.020 12.152 1.00 73.34 O ATOM 0 H SER A 36 22.354 -1.393 9.984 1.00 70.01 H new ATOM 0 HA SER A 36 19.803 -1.577 11.234 1.00 65.34 H new ATOM 0 HB2 SER A 36 21.392 0.865 10.316 1.00 21.05 H new ATOM 0 HB3 SER A 36 20.055 0.891 11.448 1.00 21.05 H new ATOM 0 HG SER A 36 22.113 0.867 12.519 1.00 73.34 H new ATOM 580 N VAL A 37 18.082 -0.518 9.705 1.00 64.12 N ATOM 581 CA VAL A 37 17.025 -0.213 8.733 1.00 2.11 C ATOM 582 C VAL A 37 16.898 1.304 8.487 1.00 31.43 C ATOM 583 O VAL A 37 16.944 2.102 9.425 1.00 11.33 O ATOM 584 CB VAL A 37 15.658 -0.765 9.210 1.00 33.23 C ATOM 585 CG1 VAL A 37 14.598 -0.615 8.116 1.00 41.45 C ATOM 586 CG2 VAL A 37 15.790 -2.223 9.651 1.00 43.21 C ATOM 0 H VAL A 37 17.754 -0.598 10.667 1.00 64.12 H new ATOM 0 HA VAL A 37 17.307 -0.697 7.798 1.00 2.11 H new ATOM 0 HB VAL A 37 15.334 -0.180 10.071 1.00 33.23 H new ATOM 0 HG11 VAL A 37 13.647 -1.009 8.474 1.00 41.45 H new ATOM 0 HG12 VAL A 37 14.482 0.439 7.864 1.00 41.45 H new ATOM 0 HG13 VAL A 37 14.909 -1.168 7.230 1.00 41.45 H new ATOM 0 HG21 VAL A 37 14.819 -2.592 9.982 1.00 43.21 H new ATOM 0 HG22 VAL A 37 16.141 -2.826 8.814 1.00 43.21 H new ATOM 0 HG23 VAL A 37 16.504 -2.292 10.472 1.00 43.21 H new ATOM 596 N SER A 38 16.728 1.688 7.224 1.00 2.20 N ATOM 597 CA SER A 38 16.595 3.105 6.841 1.00 55.52 C ATOM 598 C SER A 38 15.134 3.572 6.890 1.00 30.53 C ATOM 599 O SER A 38 14.209 2.762 6.990 1.00 31.04 O ATOM 600 CB SER A 38 17.139 3.332 5.420 1.00 72.15 C ATOM 601 OG SER A 38 16.931 4.673 4.994 1.00 53.24 O ATOM 0 H SER A 38 16.678 1.039 6.439 1.00 2.20 H new ATOM 0 HA SER A 38 17.173 3.685 7.560 1.00 55.52 H new ATOM 0 HB2 SER A 38 18.204 3.102 5.395 1.00 72.15 H new ATOM 0 HB3 SER A 38 16.649 2.648 4.727 1.00 72.15 H new ATOM 0 HG SER A 38 17.288 4.788 4.089 1.00 53.24 H new ATOM 607 N ASP A 39 14.931 4.887 6.827 1.00 2.23 N ATOM 608 CA ASP A 39 13.586 5.462 6.719 1.00 34.41 C ATOM 609 C ASP A 39 13.151 5.573 5.245 1.00 61.25 C ATOM 610 O ASP A 39 12.003 5.912 4.948 1.00 21.21 O ATOM 611 CB ASP A 39 13.527 6.836 7.398 1.00 52.10 C ATOM 612 CG ASP A 39 13.690 6.746 8.905 1.00 63.31 C ATOM 613 OD1 ASP A 39 12.701 6.427 9.602 1.00 53.40 O ATOM 614 OD2 ASP A 39 14.809 6.991 9.404 1.00 64.21 O ATOM 0 H ASP A 39 15.681 5.578 6.849 1.00 2.23 H new ATOM 0 HA ASP A 39 12.894 4.793 7.230 1.00 34.41 H new ATOM 0 HB2 ASP A 39 14.310 7.474 6.988 1.00 52.10 H new ATOM 0 HB3 ASP A 39 12.574 7.312 7.166 1.00 52.10 H new ATOM 619 N GLU A 40 14.079 5.297 4.323 1.00 62.03 N ATOM 620 CA GLU A 40 13.739 5.202 2.900 1.00 21.33 C ATOM 621 C GLU A 40 12.946 3.920 2.627 1.00 31.23 C ATOM 622 O GLU A 40 13.292 2.846 3.118 1.00 34.12 O ATOM 623 CB GLU A 40 14.998 5.241 2.020 1.00 22.12 C ATOM 624 CG GLU A 40 15.670 6.609 1.970 1.00 74.23 C ATOM 625 CD GLU A 40 16.773 6.691 0.924 1.00 74.21 C ATOM 626 OE1 GLU A 40 16.455 6.646 -0.286 1.00 20.53 O ATOM 627 OE2 GLU A 40 17.960 6.823 1.301 1.00 34.23 O ATOM 0 H GLU A 40 15.064 5.137 4.534 1.00 62.03 H new ATOM 0 HA GLU A 40 13.123 6.064 2.646 1.00 21.33 H new ATOM 0 HB2 GLU A 40 15.714 4.508 2.393 1.00 22.12 H new ATOM 0 HB3 GLU A 40 14.732 4.940 1.007 1.00 22.12 H new ATOM 0 HG2 GLU A 40 14.918 7.370 1.758 1.00 74.23 H new ATOM 0 HG3 GLU A 40 16.088 6.838 2.950 1.00 74.23 H new ATOM 634 N ILE A 41 11.885 4.035 1.840 1.00 12.23 N ATOM 635 CA ILE A 41 10.969 2.915 1.605 1.00 1.04 C ATOM 636 C ILE A 41 11.059 2.405 0.155 1.00 70.21 C ATOM 637 O ILE A 41 11.512 3.115 -0.743 1.00 55.25 O ATOM 638 CB ILE A 41 9.504 3.338 1.920 1.00 53.21 C ATOM 639 CG1 ILE A 41 9.423 3.990 3.311 1.00 45.13 C ATOM 640 CG2 ILE A 41 8.557 2.141 1.841 1.00 12.43 C ATOM 641 CD1 ILE A 41 8.032 4.473 3.684 1.00 2.42 C ATOM 0 H ILE A 41 11.632 4.893 1.350 1.00 12.23 H new ATOM 0 HA ILE A 41 11.265 2.105 2.271 1.00 1.04 H new ATOM 0 HB ILE A 41 9.194 4.066 1.170 1.00 53.21 H new ATOM 0 HG12 ILE A 41 9.760 3.272 4.058 1.00 45.13 H new ATOM 0 HG13 ILE A 41 10.112 4.834 3.347 1.00 45.13 H new ATOM 0 HG21 ILE A 41 7.541 2.465 2.065 1.00 12.43 H new ATOM 0 HG22 ILE A 41 8.589 1.717 0.837 1.00 12.43 H new ATOM 0 HG23 ILE A 41 8.865 1.385 2.564 1.00 12.43 H new ATOM 0 HD11 ILE A 41 8.056 4.920 4.678 1.00 2.42 H new ATOM 0 HD12 ILE A 41 7.699 5.216 2.960 1.00 2.42 H new ATOM 0 HD13 ILE A 41 7.341 3.630 3.683 1.00 2.42 H new ATOM 653 N LYS A 42 10.651 1.159 -0.060 1.00 13.45 N ATOM 654 CA LYS A 42 10.511 0.607 -1.412 1.00 61.12 C ATOM 655 C LYS A 42 9.047 0.697 -1.879 1.00 11.04 C ATOM 656 O LYS A 42 8.748 1.268 -2.932 1.00 40.25 O ATOM 657 CB LYS A 42 11.004 -0.835 -1.435 1.00 34.53 C ATOM 658 CG LYS A 42 12.503 -0.949 -1.183 1.00 33.25 C ATOM 659 CD LYS A 42 12.931 -2.398 -1.081 1.00 5.15 C ATOM 660 CE LYS A 42 14.423 -2.541 -0.811 1.00 65.21 C ATOM 661 NZ LYS A 42 14.815 -3.956 -0.567 1.00 51.50 N ATOM 0 H LYS A 42 10.409 0.506 0.685 1.00 13.45 H new ATOM 0 HA LYS A 42 11.120 1.192 -2.102 1.00 61.12 H new ATOM 0 HB2 LYS A 42 10.468 -1.410 -0.680 1.00 34.53 H new ATOM 0 HB3 LYS A 42 10.767 -1.280 -2.401 1.00 34.53 H new ATOM 0 HG2 LYS A 42 13.049 -0.462 -1.991 1.00 33.25 H new ATOM 0 HG3 LYS A 42 12.761 -0.425 -0.263 1.00 33.25 H new ATOM 0 HD2 LYS A 42 12.371 -2.885 -0.283 1.00 5.15 H new ATOM 0 HD3 LYS A 42 12.680 -2.915 -2.007 1.00 5.15 H new ATOM 0 HE2 LYS A 42 14.984 -2.151 -1.661 1.00 65.21 H new ATOM 0 HE3 LYS A 42 14.694 -1.936 0.054 1.00 65.21 H new ATOM 0 HZ1 LYS A 42 15.838 -4.007 -0.388 1.00 51.50 H new ATOM 0 HZ2 LYS A 42 14.300 -4.321 0.260 1.00 51.50 H new ATOM 0 HZ3 LYS A 42 14.581 -4.530 -1.402 1.00 51.50 H new ATOM 675 N GLU A 43 8.140 0.131 -1.076 1.00 43.32 N ATOM 676 CA GLU A 43 6.692 0.204 -1.328 1.00 71.25 C ATOM 677 C GLU A 43 5.900 0.322 -0.014 1.00 50.52 C ATOM 678 O GLU A 43 6.364 -0.097 1.050 1.00 45.40 O ATOM 679 CB GLU A 43 6.199 -1.037 -2.093 1.00 12.11 C ATOM 680 CG GLU A 43 6.862 -1.237 -3.447 1.00 51.32 C ATOM 681 CD GLU A 43 6.145 -2.271 -4.302 1.00 21.54 C ATOM 682 OE1 GLU A 43 5.157 -1.911 -4.974 1.00 42.42 O ATOM 683 OE2 GLU A 43 6.572 -3.444 -4.316 1.00 10.33 O ATOM 0 H GLU A 43 8.385 -0.390 -0.234 1.00 43.32 H new ATOM 0 HA GLU A 43 6.522 1.095 -1.932 1.00 71.25 H new ATOM 0 HB2 GLU A 43 6.375 -1.921 -1.481 1.00 12.11 H new ATOM 0 HB3 GLU A 43 5.121 -0.958 -2.237 1.00 12.11 H new ATOM 0 HG2 GLU A 43 6.888 -0.286 -3.979 1.00 51.32 H new ATOM 0 HG3 GLU A 43 7.896 -1.548 -3.299 1.00 51.32 H new ATOM 690 N ARG A 44 4.699 0.888 -0.097 1.00 72.23 N ATOM 691 CA ARG A 44 3.792 0.979 1.050 1.00 62.42 C ATOM 692 C ARG A 44 2.515 0.159 0.786 1.00 34.15 C ATOM 693 O ARG A 44 1.698 0.515 -0.061 1.00 21.41 O ATOM 694 CB ARG A 44 3.454 2.453 1.331 1.00 3.12 C ATOM 695 CG ARG A 44 2.412 2.668 2.428 1.00 71.44 C ATOM 696 CD ARG A 44 2.256 4.148 2.777 1.00 33.10 C ATOM 697 NE ARG A 44 3.418 4.667 3.496 1.00 25.22 N ATOM 698 CZ ARG A 44 4.011 5.802 3.233 1.00 12.40 C ATOM 699 NH1 ARG A 44 3.626 6.552 2.253 1.00 1.01 N ATOM 700 NH2 ARG A 44 5.005 6.185 3.963 1.00 73.34 N ATOM 0 H ARG A 44 4.326 1.295 -0.955 1.00 72.23 H new ATOM 0 HA ARG A 44 4.282 0.564 1.930 1.00 62.42 H new ATOM 0 HB2 ARG A 44 4.369 2.975 1.610 1.00 3.12 H new ATOM 0 HB3 ARG A 44 3.093 2.911 0.410 1.00 3.12 H new ATOM 0 HG2 ARG A 44 1.452 2.268 2.102 1.00 71.44 H new ATOM 0 HG3 ARG A 44 2.702 2.112 3.320 1.00 71.44 H new ATOM 0 HD2 ARG A 44 2.109 4.723 1.862 1.00 33.10 H new ATOM 0 HD3 ARG A 44 1.362 4.285 3.386 1.00 33.10 H new ATOM 0 HE ARG A 44 3.793 4.103 4.258 1.00 25.22 H new ATOM 0 HH11 ARG A 44 2.844 6.262 1.666 1.00 1.01 H new ATOM 0 HH12 ARG A 44 4.104 7.434 2.067 1.00 1.01 H new ATOM 0 HH21 ARG A 44 5.322 5.603 4.738 1.00 73.34 H new ATOM 0 HH22 ARG A 44 5.473 7.069 3.764 1.00 73.34 H new ATOM 714 N THR A 45 2.359 -0.943 1.515 1.00 20.13 N ATOM 715 CA THR A 45 1.236 -1.870 1.301 1.00 23.45 C ATOM 716 C THR A 45 0.053 -1.581 2.242 1.00 4.22 C ATOM 717 O THR A 45 0.210 -1.541 3.465 1.00 73.34 O ATOM 718 CB THR A 45 1.681 -3.346 1.487 1.00 5.10 C ATOM 719 OG1 THR A 45 2.757 -3.654 0.583 1.00 44.35 O ATOM 720 CG2 THR A 45 0.524 -4.315 1.238 1.00 4.14 C ATOM 0 H THR A 45 2.995 -1.222 2.262 1.00 20.13 H new ATOM 0 HA THR A 45 0.907 -1.714 0.274 1.00 23.45 H new ATOM 0 HB THR A 45 2.015 -3.463 2.518 1.00 5.10 H new ATOM 0 HG1 THR A 45 3.033 -4.586 0.708 1.00 44.35 H new ATOM 0 HG21 THR A 45 0.871 -5.339 1.377 1.00 4.14 H new ATOM 0 HG22 THR A 45 -0.283 -4.107 1.941 1.00 4.14 H new ATOM 0 HG23 THR A 45 0.158 -4.191 0.219 1.00 4.14 H new ATOM 728 N TYR A 46 -1.130 -1.389 1.660 1.00 4.24 N ATOM 729 CA TYR A 46 -2.361 -1.132 2.429 1.00 13.41 C ATOM 730 C TYR A 46 -3.323 -2.334 2.414 1.00 35.31 C ATOM 731 O TYR A 46 -3.265 -3.191 1.525 1.00 11.14 O ATOM 732 CB TYR A 46 -3.088 0.107 1.872 1.00 55.13 C ATOM 733 CG TYR A 46 -2.644 1.423 2.489 1.00 33.13 C ATOM 734 CD1 TYR A 46 -3.196 1.861 3.686 1.00 64.21 C ATOM 735 CD2 TYR A 46 -1.690 2.234 1.876 1.00 73.42 C ATOM 736 CE1 TYR A 46 -2.817 3.056 4.257 1.00 21.44 C ATOM 737 CE2 TYR A 46 -1.307 3.437 2.444 1.00 41.15 C ATOM 738 CZ TYR A 46 -1.875 3.842 3.636 1.00 4.44 C ATOM 739 OH TYR A 46 -1.502 5.040 4.206 1.00 55.32 O ATOM 0 H TYR A 46 -1.269 -1.406 0.650 1.00 4.24 H new ATOM 0 HA TYR A 46 -2.059 -0.958 3.462 1.00 13.41 H new ATOM 0 HB2 TYR A 46 -2.930 0.153 0.795 1.00 55.13 H new ATOM 0 HB3 TYR A 46 -4.160 -0.013 2.032 1.00 55.13 H new ATOM 0 HD1 TYR A 46 -3.938 1.252 4.180 1.00 64.21 H new ATOM 0 HD2 TYR A 46 -1.243 1.919 0.944 1.00 73.42 H new ATOM 0 HE1 TYR A 46 -3.258 3.375 5.190 1.00 21.44 H new ATOM 0 HE2 TYR A 46 -0.568 4.056 1.957 1.00 41.15 H new ATOM 0 HH TYR A 46 -1.618 4.990 5.178 1.00 55.32 H new ATOM 749 N ASP A 47 -4.206 -2.376 3.412 1.00 74.11 N ATOM 750 CA ASP A 47 -5.272 -3.383 3.489 1.00 62.33 C ATOM 751 C ASP A 47 -6.590 -2.823 2.924 1.00 3.32 C ATOM 752 O ASP A 47 -7.236 -1.978 3.555 1.00 24.03 O ATOM 753 CB ASP A 47 -5.489 -3.812 4.948 1.00 44.25 C ATOM 754 CG ASP A 47 -4.286 -4.520 5.547 1.00 34.24 C ATOM 755 OD1 ASP A 47 -3.789 -5.485 4.931 1.00 1.44 O ATOM 756 OD2 ASP A 47 -3.835 -4.121 6.644 1.00 75.42 O ATOM 0 H ASP A 47 -4.205 -1.716 4.190 1.00 74.11 H new ATOM 0 HA ASP A 47 -4.968 -4.245 2.895 1.00 62.33 H new ATOM 0 HB2 ASP A 47 -5.721 -2.932 5.548 1.00 44.25 H new ATOM 0 HB3 ASP A 47 -6.355 -4.472 5.001 1.00 44.25 H new ATOM 761 N LEU A 48 -6.986 -3.285 1.739 1.00 24.34 N ATOM 762 CA LEU A 48 -8.239 -2.833 1.112 1.00 65.21 C ATOM 763 C LEU A 48 -9.200 -4.008 0.866 1.00 62.24 C ATOM 764 O LEU A 48 -8.792 -5.173 0.838 1.00 62.44 O ATOM 765 CB LEU A 48 -7.956 -2.103 -0.211 1.00 31.33 C ATOM 766 CG LEU A 48 -7.031 -0.872 -0.118 1.00 30.43 C ATOM 767 CD1 LEU A 48 -6.941 -0.155 -1.465 1.00 61.31 C ATOM 768 CD2 LEU A 48 -7.506 0.092 0.965 1.00 34.30 C ATOM 0 H LEU A 48 -6.464 -3.969 1.191 1.00 24.34 H new ATOM 0 HA LEU A 48 -8.716 -2.139 1.804 1.00 65.21 H new ATOM 0 HB2 LEU A 48 -7.513 -2.814 -0.908 1.00 31.33 H new ATOM 0 HB3 LEU A 48 -8.907 -1.787 -0.640 1.00 31.33 H new ATOM 0 HG LEU A 48 -6.036 -1.226 0.152 1.00 30.43 H new ATOM 0 HD11 LEU A 48 -6.283 0.709 -1.374 1.00 61.31 H new ATOM 0 HD12 LEU A 48 -6.541 -0.838 -2.215 1.00 61.31 H new ATOM 0 HD13 LEU A 48 -7.934 0.175 -1.768 1.00 61.31 H new ATOM 0 HD21 LEU A 48 -6.835 0.950 1.008 1.00 34.30 H new ATOM 0 HD22 LEU A 48 -8.515 0.432 0.733 1.00 34.30 H new ATOM 0 HD23 LEU A 48 -7.507 -0.416 1.929 1.00 34.30 H new ATOM 780 N LYS A 49 -10.481 -3.693 0.687 1.00 11.24 N ATOM 781 CA LYS A 49 -11.517 -4.715 0.469 1.00 54.34 C ATOM 782 C LYS A 49 -12.135 -4.579 -0.935 1.00 74.55 C ATOM 783 O LYS A 49 -12.277 -3.472 -1.454 1.00 52.12 O ATOM 784 CB LYS A 49 -12.616 -4.579 1.537 1.00 60.10 C ATOM 785 CG LYS A 49 -12.090 -4.479 2.969 1.00 54.05 C ATOM 786 CD LYS A 49 -11.346 -5.739 3.418 1.00 44.42 C ATOM 787 CE LYS A 49 -12.277 -6.936 3.566 1.00 75.13 C ATOM 788 NZ LYS A 49 -11.568 -8.122 4.119 1.00 3.32 N ATOM 0 H LYS A 49 -10.833 -2.736 0.688 1.00 11.24 H new ATOM 0 HA LYS A 49 -11.053 -5.698 0.547 1.00 54.34 H new ATOM 0 HB2 LYS A 49 -13.212 -3.693 1.318 1.00 60.10 H new ATOM 0 HB3 LYS A 49 -13.284 -5.438 1.466 1.00 60.10 H new ATOM 0 HG2 LYS A 49 -11.422 -3.621 3.047 1.00 54.05 H new ATOM 0 HG3 LYS A 49 -12.925 -4.295 3.646 1.00 54.05 H new ATOM 0 HD2 LYS A 49 -10.566 -5.975 2.694 1.00 44.42 H new ATOM 0 HD3 LYS A 49 -10.851 -5.547 4.370 1.00 44.42 H new ATOM 0 HE2 LYS A 49 -13.108 -6.672 4.220 1.00 75.13 H new ATOM 0 HE3 LYS A 49 -12.703 -7.187 2.595 1.00 75.13 H new ATOM 0 HZ1 LYS A 49 -11.474 -8.847 3.379 1.00 3.32 H new ATOM 0 HZ2 LYS A 49 -10.623 -7.839 4.448 1.00 3.32 H new ATOM 0 HZ3 LYS A 49 -12.111 -8.510 4.917 1.00 3.32 H new ATOM 802 N SER A 50 -12.504 -5.707 -1.550 1.00 12.14 N ATOM 803 CA SER A 50 -13.107 -5.698 -2.896 1.00 20.23 C ATOM 804 C SER A 50 -14.416 -6.501 -2.939 1.00 41.15 C ATOM 805 O SER A 50 -14.435 -7.688 -2.613 1.00 45.24 O ATOM 806 CB SER A 50 -12.123 -6.270 -3.925 1.00 40.43 C ATOM 807 OG SER A 50 -10.941 -5.492 -3.997 1.00 41.31 O ATOM 0 H SER A 50 -12.398 -6.636 -1.143 1.00 12.14 H new ATOM 0 HA SER A 50 -13.335 -4.661 -3.142 1.00 20.23 H new ATOM 0 HB2 SER A 50 -11.870 -7.296 -3.657 1.00 40.43 H new ATOM 0 HB3 SER A 50 -12.598 -6.304 -4.905 1.00 40.43 H new ATOM 0 HG SER A 50 -10.484 -5.669 -4.846 1.00 41.31 H new ATOM 866 N ARG A 55 -13.261 -10.535 -1.137 1.00 42.53 N ATOM 867 CA ARG A 55 -12.083 -10.844 -0.311 1.00 42.55 C ATOM 868 C ARG A 55 -11.223 -9.593 -0.070 1.00 45.52 C ATOM 869 O ARG A 55 -11.557 -8.493 -0.522 1.00 64.42 O ATOM 870 CB ARG A 55 -11.230 -11.935 -0.981 1.00 63.21 C ATOM 871 CG ARG A 55 -11.926 -13.290 -1.101 1.00 52.32 C ATOM 872 CD ARG A 55 -11.039 -14.328 -1.783 1.00 65.35 C ATOM 873 NE ARG A 55 -10.614 -13.902 -3.119 1.00 43.55 N ATOM 874 CZ ARG A 55 -9.771 -14.563 -3.867 1.00 35.11 C ATOM 875 NH1 ARG A 55 -9.248 -15.672 -3.453 1.00 31.45 N ATOM 876 NH2 ARG A 55 -9.445 -14.115 -5.035 1.00 51.35 N ATOM 0 HA ARG A 55 -12.443 -11.205 0.653 1.00 42.55 H new ATOM 0 HB2 ARG A 55 -10.945 -11.596 -1.977 1.00 63.21 H new ATOM 0 HB3 ARG A 55 -10.309 -12.061 -0.411 1.00 63.21 H new ATOM 0 HG2 ARG A 55 -12.203 -13.645 -0.108 1.00 52.32 H new ATOM 0 HG3 ARG A 55 -12.850 -13.174 -1.667 1.00 52.32 H new ATOM 0 HD2 ARG A 55 -10.160 -14.514 -1.166 1.00 65.35 H new ATOM 0 HD3 ARG A 55 -11.580 -15.271 -1.859 1.00 65.35 H new ATOM 0 HE ARG A 55 -11.001 -13.034 -3.489 1.00 43.55 H new ATOM 0 HH11 ARG A 55 -9.493 -16.039 -2.533 1.00 31.45 H new ATOM 0 HH12 ARG A 55 -8.591 -16.179 -4.046 1.00 31.45 H new ATOM 0 HH21 ARG A 55 -9.846 -13.242 -5.377 1.00 51.35 H new ATOM 0 HH22 ARG A 55 -8.786 -14.635 -5.615 1.00 51.35 H new ATOM 890 N MET A 56 -10.125 -9.768 0.665 1.00 74.34 N ATOM 891 CA MET A 56 -9.172 -8.680 0.909 1.00 53.11 C ATOM 892 C MET A 56 -8.088 -8.641 -0.175 1.00 72.41 C ATOM 893 O MET A 56 -7.714 -9.671 -0.739 1.00 53.13 O ATOM 894 CB MET A 56 -8.519 -8.832 2.292 1.00 51.24 C ATOM 895 CG MET A 56 -7.708 -10.114 2.464 1.00 2.24 C ATOM 896 SD MET A 56 -8.727 -11.601 2.370 1.00 1.41 S ATOM 897 CE MET A 56 -7.489 -12.882 2.573 1.00 23.12 C ATOM 0 H MET A 56 -9.871 -10.653 1.103 1.00 74.34 H new ATOM 0 HA MET A 56 -9.727 -7.742 0.878 1.00 53.11 H new ATOM 0 HB2 MET A 56 -7.867 -7.977 2.470 1.00 51.24 H new ATOM 0 HB3 MET A 56 -9.298 -8.803 3.054 1.00 51.24 H new ATOM 0 HG2 MET A 56 -6.937 -10.157 1.694 1.00 2.24 H new ATOM 0 HG3 MET A 56 -7.197 -10.089 3.426 1.00 2.24 H new ATOM 0 HE1 MET A 56 -7.968 -13.860 2.537 1.00 23.12 H new ATOM 0 HE2 MET A 56 -6.754 -12.808 1.771 1.00 23.12 H new ATOM 0 HE3 MET A 56 -6.991 -12.757 3.534 1.00 23.12 H new ATOM 907 N ILE A 57 -7.588 -7.446 -0.458 1.00 41.54 N ATOM 908 CA ILE A 57 -6.525 -7.264 -1.447 1.00 61.51 C ATOM 909 C ILE A 57 -5.325 -6.535 -0.825 1.00 72.35 C ATOM 910 O ILE A 57 -5.495 -5.569 -0.074 1.00 51.42 O ATOM 911 CB ILE A 57 -7.036 -6.463 -2.676 1.00 24.32 C ATOM 912 CG1 ILE A 57 -7.453 -5.035 -2.279 1.00 53.53 C ATOM 913 CG2 ILE A 57 -8.206 -7.191 -3.338 1.00 34.34 C ATOM 914 CD1 ILE A 57 -7.942 -4.190 -3.439 1.00 43.24 C ATOM 0 H ILE A 57 -7.901 -6.582 -0.016 1.00 41.54 H new ATOM 0 HA ILE A 57 -6.212 -8.254 -1.778 1.00 61.51 H new ATOM 0 HB ILE A 57 -6.216 -6.388 -3.390 1.00 24.32 H new ATOM 0 HG12 ILE A 57 -8.241 -5.093 -1.528 1.00 53.53 H new ATOM 0 HG13 ILE A 57 -6.604 -4.536 -1.812 1.00 53.53 H new ATOM 0 HG21 ILE A 57 -8.552 -6.617 -4.197 1.00 34.34 H new ATOM 0 HG22 ILE A 57 -7.881 -8.178 -3.668 1.00 34.34 H new ATOM 0 HG23 ILE A 57 -9.020 -7.298 -2.621 1.00 34.34 H new ATOM 0 HD11 ILE A 57 -8.216 -3.199 -3.077 1.00 43.24 H new ATOM 0 HD12 ILE A 57 -7.150 -4.098 -4.182 1.00 43.24 H new ATOM 0 HD13 ILE A 57 -8.812 -4.664 -3.893 1.00 43.24 H new ATOM 926 N GLN A 58 -4.108 -7.002 -1.109 1.00 2.32 N ATOM 927 CA GLN A 58 -2.915 -6.321 -0.601 1.00 41.11 C ATOM 928 C GLN A 58 -2.374 -5.335 -1.646 1.00 33.53 C ATOM 929 O GLN A 58 -1.760 -5.731 -2.631 1.00 52.44 O ATOM 930 CB GLN A 58 -1.836 -7.340 -0.202 1.00 30.15 C ATOM 931 CG GLN A 58 -2.280 -8.353 0.858 1.00 4.21 C ATOM 932 CD GLN A 58 -2.374 -7.794 2.283 1.00 11.51 C ATOM 933 OE1 GLN A 58 -2.735 -6.535 2.443 1.00 62.51 O flip ATOM 934 NE2 GLN A 58 -2.142 -8.513 3.249 1.00 41.32 N flip ATOM 0 H GLN A 58 -3.923 -7.830 -1.675 1.00 2.32 H new ATOM 0 HA GLN A 58 -3.193 -5.758 0.290 1.00 41.11 H new ATOM 0 HB2 GLN A 58 -1.518 -7.881 -1.093 1.00 30.15 H new ATOM 0 HB3 GLN A 58 -0.965 -6.801 0.171 1.00 30.15 H new ATOM 0 HG2 GLN A 58 -3.254 -8.751 0.574 1.00 4.21 H new ATOM 0 HG3 GLN A 58 -1.581 -9.189 0.856 1.00 4.21 H new ATOM 0 HE21 GLN A 58 -1.864 -9.484 3.107 1.00 41.32 H new ATOM 0 HE22 GLN A 58 -2.227 -8.140 4.195 1.00 41.32 H new ATOM 943 N VAL A 59 -2.608 -4.046 -1.426 1.00 23.23 N ATOM 944 CA VAL A 59 -2.248 -3.021 -2.410 1.00 42.23 C ATOM 945 C VAL A 59 -0.877 -2.404 -2.118 1.00 74.24 C ATOM 946 O VAL A 59 -0.681 -1.769 -1.082 1.00 24.34 O ATOM 947 CB VAL A 59 -3.313 -1.903 -2.467 1.00 24.24 C ATOM 948 CG1 VAL A 59 -2.915 -0.811 -3.463 1.00 54.45 C ATOM 949 CG2 VAL A 59 -4.675 -2.493 -2.822 1.00 3.31 C ATOM 0 H VAL A 59 -3.044 -3.682 -0.579 1.00 23.23 H new ATOM 0 HA VAL A 59 -2.201 -3.522 -3.377 1.00 42.23 H new ATOM 0 HB VAL A 59 -3.379 -1.441 -1.482 1.00 24.24 H new ATOM 0 HG11 VAL A 59 -3.683 -0.038 -3.482 1.00 54.45 H new ATOM 0 HG12 VAL A 59 -1.965 -0.371 -3.160 1.00 54.45 H new ATOM 0 HG13 VAL A 59 -2.813 -1.245 -4.458 1.00 54.45 H new ATOM 0 HG21 VAL A 59 -5.418 -1.696 -2.859 1.00 3.31 H new ATOM 0 HG22 VAL A 59 -4.618 -2.982 -3.795 1.00 3.31 H new ATOM 0 HG23 VAL A 59 -4.964 -3.223 -2.066 1.00 3.31 H new ATOM 959 N SER A 60 0.060 -2.586 -3.040 1.00 53.03 N ATOM 960 CA SER A 60 1.422 -2.056 -2.880 1.00 23.34 C ATOM 961 C SER A 60 1.662 -0.857 -3.804 1.00 25.54 C ATOM 962 O SER A 60 1.610 -0.984 -5.031 1.00 21.13 O ATOM 963 CB SER A 60 2.464 -3.149 -3.163 1.00 23.14 C ATOM 964 OG SER A 60 2.361 -4.219 -2.232 1.00 45.01 O ATOM 0 H SER A 60 -0.092 -3.096 -3.910 1.00 53.03 H new ATOM 0 HA SER A 60 1.528 -1.722 -1.848 1.00 23.34 H new ATOM 0 HB2 SER A 60 2.327 -3.531 -4.175 1.00 23.14 H new ATOM 0 HB3 SER A 60 3.465 -2.720 -3.117 1.00 23.14 H new ATOM 0 HG SER A 60 2.535 -3.884 -1.328 1.00 45.01 H new ATOM 970 N ILE A 61 1.905 0.305 -3.206 1.00 60.33 N ATOM 971 CA ILE A 61 2.195 1.534 -3.957 1.00 31.21 C ATOM 972 C ILE A 61 3.665 1.956 -3.784 1.00 73.33 C ATOM 973 O ILE A 61 4.266 1.703 -2.737 1.00 14.15 O ATOM 974 CB ILE A 61 1.260 2.694 -3.511 1.00 33.12 C ATOM 975 CG1 ILE A 61 1.411 2.959 -2.002 1.00 62.44 C ATOM 976 CG2 ILE A 61 -0.196 2.376 -3.866 1.00 73.12 C ATOM 977 CD1 ILE A 61 0.494 4.042 -1.470 1.00 2.21 C ATOM 0 H ILE A 61 1.908 0.427 -2.193 1.00 60.33 H new ATOM 0 HA ILE A 61 2.014 1.322 -5.011 1.00 31.21 H new ATOM 0 HB ILE A 61 1.551 3.598 -4.045 1.00 33.12 H new ATOM 0 HG12 ILE A 61 1.216 2.034 -1.460 1.00 62.44 H new ATOM 0 HG13 ILE A 61 2.444 3.238 -1.794 1.00 62.44 H new ATOM 0 HG21 ILE A 61 -0.836 3.198 -3.547 1.00 73.12 H new ATOM 0 HG22 ILE A 61 -0.287 2.243 -4.944 1.00 73.12 H new ATOM 0 HG23 ILE A 61 -0.502 1.460 -3.360 1.00 73.12 H new ATOM 0 HD11 ILE A 61 0.662 4.168 -0.400 1.00 2.21 H new ATOM 0 HD12 ILE A 61 0.704 4.981 -1.983 1.00 2.21 H new ATOM 0 HD13 ILE A 61 -0.544 3.758 -1.643 1.00 2.21 H new ATOM 989 N PRO A 62 4.272 2.601 -4.804 1.00 14.53 N ATOM 990 CA PRO A 62 5.688 3.021 -4.748 1.00 10.02 C ATOM 991 C PRO A 62 5.985 4.006 -3.597 1.00 41.25 C ATOM 992 O PRO A 62 5.111 4.750 -3.154 1.00 43.04 O ATOM 993 CB PRO A 62 5.924 3.688 -6.116 1.00 1.20 C ATOM 994 CG PRO A 62 4.563 4.040 -6.616 1.00 51.52 C ATOM 995 CD PRO A 62 3.641 2.978 -6.084 1.00 43.55 C ATOM 0 HA PRO A 62 6.347 2.175 -4.554 1.00 10.02 H new ATOM 0 HB2 PRO A 62 6.550 4.575 -6.019 1.00 1.20 H new ATOM 0 HB3 PRO A 62 6.433 3.011 -6.802 1.00 1.20 H new ATOM 0 HG2 PRO A 62 4.263 5.028 -6.268 1.00 51.52 H new ATOM 0 HG3 PRO A 62 4.542 4.066 -7.705 1.00 51.52 H new ATOM 0 HD2 PRO A 62 2.630 3.357 -5.939 1.00 43.55 H new ATOM 0 HD3 PRO A 62 3.569 2.129 -6.764 1.00 43.55 H new ATOM 1003 N ALA A 63 7.237 4.015 -3.137 1.00 13.15 N ATOM 1004 CA ALA A 63 7.651 4.857 -2.003 1.00 5.42 C ATOM 1005 C ALA A 63 7.513 6.357 -2.302 1.00 13.22 C ATOM 1006 O ALA A 63 7.495 7.183 -1.388 1.00 13.13 O ATOM 1007 CB ALA A 63 9.087 4.541 -1.616 1.00 34.41 C ATOM 0 H ALA A 63 7.988 3.448 -3.531 1.00 13.15 H new ATOM 0 HA ALA A 63 6.982 4.627 -1.174 1.00 5.42 H new ATOM 0 HB1 ALA A 63 9.384 5.169 -0.776 1.00 34.41 H new ATOM 0 HB2 ALA A 63 9.164 3.492 -1.330 1.00 34.41 H new ATOM 0 HB3 ALA A 63 9.744 4.735 -2.464 1.00 34.41 H new ATOM 1013 N SER A 64 7.441 6.707 -3.582 1.00 50.54 N ATOM 1014 CA SER A 64 7.257 8.106 -3.996 1.00 64.34 C ATOM 1015 C SER A 64 5.860 8.631 -3.621 1.00 21.23 C ATOM 1016 O SER A 64 5.586 9.828 -3.735 1.00 21.45 O ATOM 1017 CB SER A 64 7.483 8.246 -5.507 1.00 70.54 C ATOM 1018 OG SER A 64 8.805 7.865 -5.868 1.00 12.53 O ATOM 0 H SER A 64 7.507 6.046 -4.356 1.00 50.54 H new ATOM 0 HA SER A 64 7.994 8.707 -3.463 1.00 64.34 H new ATOM 0 HB2 SER A 64 6.764 7.627 -6.044 1.00 70.54 H new ATOM 0 HB3 SER A 64 7.304 9.278 -5.810 1.00 70.54 H new ATOM 0 HG SER A 64 8.921 7.962 -6.836 1.00 12.53 H new ATOM 1024 N VAL A 65 4.985 7.728 -3.176 1.00 64.35 N ATOM 1025 CA VAL A 65 3.619 8.084 -2.776 1.00 43.44 C ATOM 1026 C VAL A 65 3.531 8.378 -1.264 1.00 43.25 C ATOM 1027 O VAL A 65 4.032 7.604 -0.444 1.00 21.11 O ATOM 1028 CB VAL A 65 2.637 6.941 -3.135 1.00 63.23 C ATOM 1029 CG1 VAL A 65 1.200 7.328 -2.809 1.00 50.14 C ATOM 1030 CG2 VAL A 65 2.781 6.561 -4.606 1.00 64.43 C ATOM 0 H VAL A 65 5.199 6.735 -3.082 1.00 64.35 H new ATOM 0 HA VAL A 65 3.344 8.988 -3.320 1.00 43.44 H new ATOM 0 HB VAL A 65 2.889 6.071 -2.528 1.00 63.23 H new ATOM 0 HG11 VAL A 65 0.533 6.507 -3.072 1.00 50.14 H new ATOM 0 HG12 VAL A 65 1.113 7.539 -1.743 1.00 50.14 H new ATOM 0 HG13 VAL A 65 0.924 8.215 -3.379 1.00 50.14 H new ATOM 0 HG21 VAL A 65 2.085 5.757 -4.844 1.00 64.43 H new ATOM 0 HG22 VAL A 65 2.561 7.428 -5.229 1.00 64.43 H new ATOM 0 HG23 VAL A 65 3.801 6.227 -4.797 1.00 64.43 H new ATOM 1040 N PRO A 66 2.887 9.503 -0.872 1.00 32.40 N ATOM 1041 CA PRO A 66 2.743 9.884 0.549 1.00 40.52 C ATOM 1042 C PRO A 66 1.777 8.977 1.342 1.00 31.43 C ATOM 1043 O PRO A 66 1.245 7.990 0.821 1.00 73.42 O ATOM 1044 CB PRO A 66 2.200 11.319 0.472 1.00 42.32 C ATOM 1045 CG PRO A 66 1.483 11.381 -0.834 1.00 65.42 C ATOM 1046 CD PRO A 66 2.262 10.495 -1.774 1.00 31.44 C ATOM 0 HA PRO A 66 3.688 9.789 1.083 1.00 40.52 H new ATOM 0 HB2 PRO A 66 1.529 11.534 1.303 1.00 42.32 H new ATOM 0 HB3 PRO A 66 3.007 12.051 0.516 1.00 42.32 H new ATOM 0 HG2 PRO A 66 0.455 11.034 -0.732 1.00 65.42 H new ATOM 0 HG3 PRO A 66 1.439 12.404 -1.208 1.00 65.42 H new ATOM 0 HD2 PRO A 66 1.612 10.018 -2.507 1.00 31.44 H new ATOM 0 HD3 PRO A 66 3.010 11.059 -2.331 1.00 31.44 H new ATOM 1054 N LEU A 67 1.566 9.316 2.616 1.00 72.11 N ATOM 1055 CA LEU A 67 0.705 8.525 3.506 1.00 43.40 C ATOM 1056 C LEU A 67 -0.785 8.878 3.324 1.00 15.12 C ATOM 1057 O LEU A 67 -1.138 10.041 3.128 1.00 43.52 O ATOM 1058 CB LEU A 67 1.126 8.758 4.966 1.00 43.14 C ATOM 1059 CG LEU A 67 0.466 7.838 6.001 1.00 10.21 C ATOM 1060 CD1 LEU A 67 0.891 6.386 5.784 1.00 75.11 C ATOM 1061 CD2 LEU A 67 0.801 8.298 7.420 1.00 21.20 C ATOM 0 H LEU A 67 1.981 10.136 3.058 1.00 72.11 H new ATOM 0 HA LEU A 67 0.827 7.473 3.247 1.00 43.40 H new ATOM 0 HB2 LEU A 67 2.207 8.638 5.037 1.00 43.14 H new ATOM 0 HB3 LEU A 67 0.902 9.792 5.230 1.00 43.14 H new ATOM 0 HG LEU A 67 -0.615 7.896 5.871 1.00 10.21 H new ATOM 0 HD11 LEU A 67 0.411 5.751 6.529 1.00 75.11 H new ATOM 0 HD12 LEU A 67 0.592 6.065 4.786 1.00 75.11 H new ATOM 0 HD13 LEU A 67 1.974 6.305 5.882 1.00 75.11 H new ATOM 0 HD21 LEU A 67 0.324 7.633 8.140 1.00 21.20 H new ATOM 0 HD22 LEU A 67 1.881 8.275 7.565 1.00 21.20 H new ATOM 0 HD23 LEU A 67 0.437 9.315 7.568 1.00 21.20 H new ATOM 1073 N LYS A 68 -1.655 7.863 3.387 1.00 22.04 N ATOM 1074 CA LYS A 68 -3.108 8.063 3.229 1.00 12.51 C ATOM 1075 C LYS A 68 -3.836 8.030 4.584 1.00 61.43 C ATOM 1076 O LYS A 68 -4.363 9.046 5.044 1.00 72.33 O ATOM 1077 CB LYS A 68 -3.704 6.989 2.295 1.00 1.32 C ATOM 1078 CG LYS A 68 -3.498 7.255 0.799 1.00 63.34 C ATOM 1079 CD LYS A 68 -2.025 7.366 0.418 1.00 75.24 C ATOM 1080 CE LYS A 68 -1.834 7.486 -1.093 1.00 73.15 C ATOM 1081 NZ LYS A 68 -2.564 8.647 -1.672 1.00 40.24 N ATOM 0 H LYS A 68 -1.382 6.893 3.546 1.00 22.04 H new ATOM 0 HA LYS A 68 -3.253 9.049 2.787 1.00 12.51 H new ATOM 0 HB2 LYS A 68 -3.261 6.025 2.543 1.00 1.32 H new ATOM 0 HB3 LYS A 68 -4.773 6.908 2.492 1.00 1.32 H new ATOM 0 HG2 LYS A 68 -3.958 6.451 0.225 1.00 63.34 H new ATOM 0 HG3 LYS A 68 -4.011 8.177 0.524 1.00 63.34 H new ATOM 0 HD2 LYS A 68 -1.588 8.235 0.909 1.00 75.24 H new ATOM 0 HD3 LYS A 68 -1.489 6.490 0.783 1.00 75.24 H new ATOM 0 HE2 LYS A 68 -0.771 7.583 -1.315 1.00 73.15 H new ATOM 0 HE3 LYS A 68 -2.178 6.570 -1.573 1.00 73.15 H new ATOM 0 HZ1 LYS A 68 -2.257 8.795 -2.655 1.00 40.24 H new ATOM 0 HZ2 LYS A 68 -3.587 8.458 -1.653 1.00 40.24 H new ATOM 0 HZ3 LYS A 68 -2.359 9.500 -1.113 1.00 40.24 H new ATOM 1095 N GLU A 69 -3.866 6.849 5.206 1.00 34.23 N ATOM 1096 CA GLU A 69 -4.557 6.639 6.487 1.00 45.11 C ATOM 1097 C GLU A 69 -6.007 7.157 6.471 1.00 75.42 C ATOM 1098 O GLU A 69 -6.394 7.987 7.300 1.00 35.31 O ATOM 1099 CB GLU A 69 -3.772 7.286 7.641 1.00 22.53 C ATOM 1100 CG GLU A 69 -2.388 6.685 7.857 1.00 74.10 C ATOM 1101 CD GLU A 69 -2.418 5.170 7.991 1.00 40.11 C ATOM 1102 OE1 GLU A 69 -2.878 4.671 9.043 1.00 63.44 O ATOM 1103 OE2 GLU A 69 -1.998 4.477 7.045 1.00 63.22 O ATOM 0 H GLU A 69 -3.414 6.011 4.840 1.00 34.23 H new ATOM 0 HA GLU A 69 -4.603 5.561 6.644 1.00 45.11 H new ATOM 0 HB2 GLU A 69 -3.668 8.353 7.444 1.00 22.53 H new ATOM 0 HB3 GLU A 69 -4.349 7.187 8.561 1.00 22.53 H new ATOM 0 HG2 GLU A 69 -1.744 6.959 7.022 1.00 74.10 H new ATOM 0 HG3 GLU A 69 -1.946 7.116 8.755 1.00 74.10 H new ATOM 1110 N PHE A 70 -6.802 6.669 5.522 1.00 4.23 N ATOM 1111 CA PHE A 70 -8.229 7.013 5.462 1.00 33.30 C ATOM 1112 C PHE A 70 -9.030 6.255 6.537 1.00 64.05 C ATOM 1113 O PHE A 70 -8.505 5.362 7.210 1.00 71.13 O ATOM 1114 CB PHE A 70 -8.801 6.711 4.069 1.00 42.35 C ATOM 1115 CG PHE A 70 -8.145 7.493 2.955 1.00 61.25 C ATOM 1116 CD1 PHE A 70 -8.103 8.881 2.992 1.00 65.33 C ATOM 1117 CD2 PHE A 70 -7.581 6.841 1.866 1.00 3.32 C ATOM 1118 CE1 PHE A 70 -7.508 9.600 1.971 1.00 3.32 C ATOM 1119 CE2 PHE A 70 -6.987 7.557 0.843 1.00 44.53 C ATOM 1120 CZ PHE A 70 -6.952 8.936 0.896 1.00 1.34 C ATOM 0 H PHE A 70 -6.489 6.037 4.785 1.00 4.23 H new ATOM 0 HA PHE A 70 -8.320 8.082 5.657 1.00 33.30 H new ATOM 0 HB2 PHE A 70 -8.692 5.646 3.865 1.00 42.35 H new ATOM 0 HB3 PHE A 70 -9.869 6.927 4.071 1.00 42.35 H new ATOM 0 HD1 PHE A 70 -8.540 9.405 3.829 1.00 65.33 H new ATOM 0 HD2 PHE A 70 -7.607 5.762 1.818 1.00 3.32 H new ATOM 0 HE1 PHE A 70 -7.478 10.679 2.015 1.00 3.32 H new ATOM 0 HE2 PHE A 70 -6.551 7.038 0.003 1.00 44.53 H new ATOM 0 HZ PHE A 70 -6.490 9.495 0.096 1.00 1.34 H new ATOM 1130 N ASP A 71 -10.301 6.615 6.695 1.00 54.01 N ATOM 1131 CA ASP A 71 -11.166 5.976 7.692 1.00 31.41 C ATOM 1132 C ASP A 71 -11.542 4.538 7.302 1.00 52.32 C ATOM 1133 O ASP A 71 -11.599 4.186 6.118 1.00 13.32 O ATOM 1134 CB ASP A 71 -12.439 6.804 7.907 1.00 71.31 C ATOM 1135 CG ASP A 71 -12.151 8.144 8.555 1.00 75.10 C ATOM 1136 OD1 ASP A 71 -11.910 8.170 9.783 1.00 33.21 O ATOM 1137 OD2 ASP A 71 -12.168 9.175 7.850 1.00 71.32 O ATOM 0 H ASP A 71 -10.758 7.345 6.148 1.00 54.01 H new ATOM 0 HA ASP A 71 -10.598 5.929 8.621 1.00 31.41 H new ATOM 0 HB2 ASP A 71 -12.931 6.965 6.948 1.00 71.31 H new ATOM 0 HB3 ASP A 71 -13.134 6.243 8.532 1.00 71.31 H new ATOM 1142 N TYR A 72 -11.787 3.709 8.316 1.00 43.43 N ATOM 1143 CA TYR A 72 -12.270 2.341 8.112 1.00 54.21 C ATOM 1144 C TYR A 72 -13.582 2.339 7.308 1.00 31.04 C ATOM 1145 O TYR A 72 -14.567 2.959 7.708 1.00 54.30 O ATOM 1146 CB TYR A 72 -12.469 1.647 9.473 1.00 64.14 C ATOM 1147 CG TYR A 72 -13.108 0.269 9.392 1.00 25.30 C ATOM 1148 CD1 TYR A 72 -12.383 -0.836 8.956 1.00 31.42 C ATOM 1149 CD2 TYR A 72 -14.443 0.079 9.746 1.00 65.02 C ATOM 1150 CE1 TYR A 72 -12.967 -2.087 8.877 1.00 42.12 C ATOM 1151 CE2 TYR A 72 -15.031 -1.169 9.667 1.00 45.01 C ATOM 1152 CZ TYR A 72 -14.292 -2.248 9.233 1.00 12.14 C ATOM 1153 OH TYR A 72 -14.883 -3.488 9.142 1.00 33.21 O ATOM 0 H TYR A 72 -11.658 3.963 9.296 1.00 43.43 H new ATOM 0 HA TYR A 72 -11.524 1.790 7.540 1.00 54.21 H new ATOM 0 HB2 TYR A 72 -11.501 1.556 9.965 1.00 64.14 H new ATOM 0 HB3 TYR A 72 -13.089 2.284 10.104 1.00 64.14 H new ATOM 0 HD1 TYR A 72 -11.347 -0.715 8.675 1.00 31.42 H new ATOM 0 HD2 TYR A 72 -15.027 0.921 10.087 1.00 65.02 H new ATOM 0 HE1 TYR A 72 -12.390 -2.935 8.538 1.00 42.12 H new ATOM 0 HE2 TYR A 72 -16.067 -1.298 9.945 1.00 45.01 H new ATOM 0 HH TYR A 72 -15.817 -3.427 9.431 1.00 33.21 H new ATOM 1163 N ASN A 73 -13.568 1.648 6.166 1.00 12.44 N ATOM 1164 CA ASN A 73 -14.734 1.542 5.278 1.00 44.23 C ATOM 1165 C ASN A 73 -15.031 2.853 4.530 1.00 1.21 C ATOM 1166 O ASN A 73 -16.180 3.143 4.189 1.00 44.32 O ATOM 1167 CB ASN A 73 -15.969 1.044 6.047 1.00 61.52 C ATOM 1168 CG ASN A 73 -15.916 -0.452 6.320 1.00 13.02 C ATOM 1169 OD1 ASN A 73 -14.723 -1.012 6.406 1.00 74.12 O flip ATOM 1170 ND2 ASN A 73 -16.943 -1.108 6.445 1.00 2.22 N flip ATOM 0 H ASN A 73 -12.748 1.144 5.828 1.00 12.44 H new ATOM 0 HA ASN A 73 -14.484 0.803 4.517 1.00 44.23 H new ATOM 0 HB2 ASN A 73 -16.046 1.581 6.992 1.00 61.52 H new ATOM 0 HB3 ASN A 73 -16.868 1.275 5.475 1.00 61.52 H new ATOM 0 HD21 ASN A 73 -17.852 -0.651 6.374 1.00 2.22 H new ATOM 0 HD22 ASN A 73 -16.889 -2.111 6.620 1.00 2.22 H new ATOM 1177 N ALA A 74 -13.985 3.631 4.254 1.00 3.25 N ATOM 1178 CA ALA A 74 -14.092 4.772 3.336 1.00 3.14 C ATOM 1179 C ALA A 74 -13.927 4.308 1.877 1.00 42.11 C ATOM 1180 O ALA A 74 -13.161 3.381 1.596 1.00 62.11 O ATOM 1181 CB ALA A 74 -13.047 5.827 3.682 1.00 2.23 C ATOM 0 H ALA A 74 -13.055 3.495 4.650 1.00 3.25 H new ATOM 0 HA ALA A 74 -15.082 5.214 3.445 1.00 3.14 H new ATOM 0 HB1 ALA A 74 -13.137 6.668 2.994 1.00 2.23 H new ATOM 0 HB2 ALA A 74 -13.205 6.175 4.703 1.00 2.23 H new ATOM 0 HB3 ALA A 74 -12.050 5.394 3.597 1.00 2.23 H new ATOM 1187 N ARG A 75 -14.644 4.940 0.951 1.00 61.30 N ATOM 1188 CA ARG A 75 -14.558 4.576 -0.471 1.00 72.13 C ATOM 1189 C ARG A 75 -13.246 5.074 -1.101 1.00 44.43 C ATOM 1190 O ARG A 75 -13.018 6.278 -1.210 1.00 10.32 O ATOM 1191 CB ARG A 75 -15.752 5.147 -1.245 1.00 30.45 C ATOM 1192 CG ARG A 75 -17.108 4.638 -0.766 1.00 33.44 C ATOM 1193 CD ARG A 75 -18.255 5.308 -1.514 1.00 0.44 C ATOM 1194 NE ARG A 75 -19.566 4.908 -1.005 1.00 31.21 N ATOM 1195 CZ ARG A 75 -20.089 5.336 0.116 1.00 4.35 C ATOM 1196 NH1 ARG A 75 -19.420 6.117 0.908 1.00 63.52 N ATOM 1197 NH2 ARG A 75 -21.284 4.966 0.444 1.00 41.21 N ATOM 0 H ARG A 75 -15.289 5.704 1.153 1.00 61.30 H new ATOM 0 HA ARG A 75 -14.576 3.488 -0.532 1.00 72.13 H new ATOM 0 HB2 ARG A 75 -15.736 6.234 -1.166 1.00 30.45 H new ATOM 0 HB3 ARG A 75 -15.637 4.902 -2.301 1.00 30.45 H new ATOM 0 HG2 ARG A 75 -17.162 3.558 -0.907 1.00 33.44 H new ATOM 0 HG3 ARG A 75 -17.211 4.826 0.303 1.00 33.44 H new ATOM 0 HD2 ARG A 75 -18.153 6.390 -1.435 1.00 0.44 H new ATOM 0 HD3 ARG A 75 -18.189 5.058 -2.573 1.00 0.44 H new ATOM 0 HE ARG A 75 -20.111 4.250 -1.562 1.00 31.21 H new ATOM 0 HH11 ARG A 75 -18.474 6.405 0.660 1.00 63.52 H new ATOM 0 HH12 ARG A 75 -19.841 6.442 1.778 1.00 63.52 H new ATOM 0 HH21 ARG A 75 -21.812 4.345 -0.169 1.00 41.21 H new ATOM 0 HH22 ARG A 75 -21.699 5.295 1.316 1.00 41.21 H new ATOM 1211 N VAL A 76 -12.390 4.141 -1.522 1.00 3.33 N ATOM 1212 CA VAL A 76 -11.103 4.480 -2.150 1.00 62.21 C ATOM 1213 C VAL A 76 -10.948 3.805 -3.524 1.00 52.03 C ATOM 1214 O VAL A 76 -11.447 2.702 -3.741 1.00 23.45 O ATOM 1215 CB VAL A 76 -9.903 4.069 -1.253 1.00 30.31 C ATOM 1216 CG1 VAL A 76 -9.921 4.837 0.063 1.00 44.45 C ATOM 1217 CG2 VAL A 76 -9.901 2.561 -0.997 1.00 20.13 C ATOM 0 H VAL A 76 -12.562 3.139 -1.441 1.00 3.33 H new ATOM 0 HA VAL A 76 -11.101 5.562 -2.279 1.00 62.21 H new ATOM 0 HB VAL A 76 -8.986 4.324 -1.784 1.00 30.31 H new ATOM 0 HG11 VAL A 76 -9.071 4.532 0.674 1.00 44.45 H new ATOM 0 HG12 VAL A 76 -9.858 5.906 -0.139 1.00 44.45 H new ATOM 0 HG13 VAL A 76 -10.847 4.623 0.597 1.00 44.45 H new ATOM 0 HG21 VAL A 76 -9.051 2.300 -0.367 1.00 20.13 H new ATOM 0 HG22 VAL A 76 -10.826 2.276 -0.495 1.00 20.13 H new ATOM 0 HG23 VAL A 76 -9.825 2.031 -1.946 1.00 20.13 H new ATOM 1227 N GLU A 77 -10.260 4.473 -4.445 1.00 23.04 N ATOM 1228 CA GLU A 77 -9.987 3.915 -5.778 1.00 34.51 C ATOM 1229 C GLU A 77 -8.486 3.998 -6.108 1.00 30.13 C ATOM 1230 O GLU A 77 -7.787 4.906 -5.652 1.00 53.42 O ATOM 1231 CB GLU A 77 -10.828 4.631 -6.850 1.00 61.33 C ATOM 1232 CG GLU A 77 -10.555 6.128 -6.969 1.00 3.40 C ATOM 1233 CD GLU A 77 -11.347 6.786 -8.091 1.00 21.50 C ATOM 1234 OE1 GLU A 77 -12.579 6.947 -7.940 1.00 71.00 O ATOM 1235 OE2 GLU A 77 -10.746 7.146 -9.127 1.00 44.43 O ATOM 0 H GLU A 77 -9.877 5.407 -4.297 1.00 23.04 H new ATOM 0 HA GLU A 77 -10.272 2.863 -5.773 1.00 34.51 H new ATOM 0 HB2 GLU A 77 -10.640 4.162 -7.816 1.00 61.33 H new ATOM 0 HB3 GLU A 77 -11.884 4.483 -6.624 1.00 61.33 H new ATOM 0 HG2 GLU A 77 -10.800 6.613 -6.024 1.00 3.40 H new ATOM 0 HG3 GLU A 77 -9.490 6.286 -7.141 1.00 3.40 H new ATOM 1242 N LEU A 78 -8.000 3.048 -6.902 1.00 40.40 N ATOM 1243 CA LEU A 78 -6.562 2.922 -7.171 1.00 3.32 C ATOM 1244 C LEU A 78 -6.168 3.481 -8.545 1.00 51.11 C ATOM 1245 O LEU A 78 -6.848 3.250 -9.547 1.00 53.45 O ATOM 1246 CB LEU A 78 -6.146 1.448 -7.081 1.00 14.11 C ATOM 1247 CG LEU A 78 -6.323 0.801 -5.699 1.00 34.23 C ATOM 1248 CD1 LEU A 78 -5.953 -0.681 -5.747 1.00 10.33 C ATOM 1249 CD2 LEU A 78 -5.489 1.540 -4.656 1.00 11.04 C ATOM 0 H LEU A 78 -8.577 2.351 -7.373 1.00 40.40 H new ATOM 0 HA LEU A 78 -6.041 3.512 -6.417 1.00 3.32 H new ATOM 0 HB2 LEU A 78 -6.725 0.879 -7.808 1.00 14.11 H new ATOM 0 HB3 LEU A 78 -5.099 1.364 -7.372 1.00 14.11 H new ATOM 0 HG LEU A 78 -7.372 0.876 -5.412 1.00 34.23 H new ATOM 0 HD11 LEU A 78 -6.085 -1.121 -4.759 1.00 10.33 H new ATOM 0 HD12 LEU A 78 -6.597 -1.194 -6.462 1.00 10.33 H new ATOM 0 HD13 LEU A 78 -4.913 -0.787 -6.055 1.00 10.33 H new ATOM 0 HD21 LEU A 78 -5.625 1.070 -3.682 1.00 11.04 H new ATOM 0 HD22 LEU A 78 -4.436 1.498 -4.936 1.00 11.04 H new ATOM 0 HD23 LEU A 78 -5.809 2.581 -4.605 1.00 11.04 H new ATOM 1261 N ILE A 79 -5.055 4.209 -8.579 1.00 71.35 N ATOM 1262 CA ILE A 79 -4.486 4.705 -9.833 1.00 64.34 C ATOM 1263 C ILE A 79 -3.615 3.622 -10.496 1.00 23.25 C ATOM 1264 O ILE A 79 -2.522 3.318 -10.020 1.00 55.43 O ATOM 1265 CB ILE A 79 -3.631 5.979 -9.595 1.00 1.42 C ATOM 1266 CG1 ILE A 79 -4.474 7.078 -8.925 1.00 22.54 C ATOM 1267 CG2 ILE A 79 -3.025 6.484 -10.907 1.00 12.25 C ATOM 1268 CD1 ILE A 79 -5.670 7.528 -9.743 1.00 61.32 C ATOM 0 H ILE A 79 -4.525 4.471 -7.748 1.00 71.35 H new ATOM 0 HA ILE A 79 -5.315 4.958 -10.494 1.00 64.34 H new ATOM 0 HB ILE A 79 -2.812 5.718 -8.925 1.00 1.42 H new ATOM 0 HG12 ILE A 79 -4.824 6.714 -7.959 1.00 22.54 H new ATOM 0 HG13 ILE A 79 -3.837 7.940 -8.728 1.00 22.54 H new ATOM 0 HG21 ILE A 79 -2.431 7.377 -10.713 1.00 12.25 H new ATOM 0 HG22 ILE A 79 -2.388 5.710 -11.335 1.00 12.25 H new ATOM 0 HG23 ILE A 79 -3.824 6.725 -11.608 1.00 12.25 H new ATOM 0 HD11 ILE A 79 -6.211 8.304 -9.201 1.00 61.32 H new ATOM 0 HD12 ILE A 79 -5.328 7.925 -10.699 1.00 61.32 H new ATOM 0 HD13 ILE A 79 -6.331 6.679 -9.918 1.00 61.32 H new ATOM 1280 N ASN A 80 -4.128 3.032 -11.580 1.00 63.45 N ATOM 1281 CA ASN A 80 -3.426 1.960 -12.313 1.00 3.22 C ATOM 1282 C ASN A 80 -3.195 0.712 -11.437 1.00 72.40 C ATOM 1283 O ASN A 80 -2.057 0.352 -11.135 1.00 72.05 O ATOM 1284 CB ASN A 80 -2.091 2.473 -12.886 1.00 15.32 C ATOM 1285 CG ASN A 80 -2.273 3.386 -14.090 1.00 64.54 C ATOM 1286 OD1 ASN A 80 -3.405 4.057 -14.176 1.00 62.33 O flip ATOM 1287 ND2 ASN A 80 -1.400 3.486 -14.946 1.00 24.43 N flip ATOM 0 H ASN A 80 -5.035 3.278 -11.976 1.00 63.45 H new ATOM 0 HA ASN A 80 -4.071 1.662 -13.139 1.00 3.22 H new ATOM 0 HB2 ASN A 80 -1.550 3.011 -12.107 1.00 15.32 H new ATOM 0 HB3 ASN A 80 -1.474 1.622 -13.172 1.00 15.32 H new ATOM 0 HD21 ASN A 80 -0.533 2.956 -14.855 1.00 24.43 H new ATOM 0 HD22 ASN A 80 -1.541 4.100 -15.749 1.00 24.43 H new ATOM 1294 N PRO A 81 -4.284 0.042 -11.007 1.00 20.12 N ATOM 1295 CA PRO A 81 -4.193 -1.187 -10.204 1.00 62.24 C ATOM 1296 C PRO A 81 -3.926 -2.443 -11.055 1.00 33.11 C ATOM 1297 O PRO A 81 -4.619 -2.702 -12.041 1.00 31.42 O ATOM 1298 CB PRO A 81 -5.576 -1.261 -9.549 1.00 12.33 C ATOM 1299 CG PRO A 81 -6.494 -0.629 -10.543 1.00 14.33 C ATOM 1300 CD PRO A 81 -5.688 0.433 -11.255 1.00 54.45 C ATOM 0 HA PRO A 81 -3.362 -1.157 -9.499 1.00 62.24 H new ATOM 0 HB2 PRO A 81 -5.863 -2.292 -9.343 1.00 12.33 H new ATOM 0 HB3 PRO A 81 -5.594 -0.729 -8.598 1.00 12.33 H new ATOM 0 HG2 PRO A 81 -6.870 -1.369 -11.249 1.00 14.33 H new ATOM 0 HG3 PRO A 81 -7.361 -0.191 -10.048 1.00 14.33 H new ATOM 0 HD2 PRO A 81 -5.913 0.457 -12.321 1.00 54.45 H new ATOM 0 HD3 PRO A 81 -5.901 1.427 -10.861 1.00 54.45 H new ATOM 1308 N ILE A 82 -2.914 -3.217 -10.669 1.00 75.31 N ATOM 1309 CA ILE A 82 -2.594 -4.477 -11.355 1.00 64.52 C ATOM 1310 C ILE A 82 -2.320 -5.613 -10.353 1.00 32.42 C ATOM 1311 O ILE A 82 -1.512 -5.467 -9.435 1.00 42.33 O ATOM 1312 CB ILE A 82 -1.364 -4.330 -12.297 1.00 35.13 C ATOM 1313 CG1 ILE A 82 -0.128 -3.832 -11.519 1.00 11.21 C ATOM 1314 CG2 ILE A 82 -1.683 -3.393 -13.463 1.00 31.24 C ATOM 1315 CD1 ILE A 82 1.138 -3.761 -12.348 1.00 3.43 C ATOM 0 H ILE A 82 -2.299 -2.998 -9.885 1.00 75.31 H new ATOM 0 HA ILE A 82 -3.470 -4.726 -11.953 1.00 64.52 H new ATOM 0 HB ILE A 82 -1.132 -5.314 -12.703 1.00 35.13 H new ATOM 0 HG12 ILE A 82 -0.341 -2.842 -11.115 1.00 11.21 H new ATOM 0 HG13 ILE A 82 0.044 -4.493 -10.669 1.00 11.21 H new ATOM 0 HG21 ILE A 82 -0.809 -3.305 -14.109 1.00 31.24 H new ATOM 0 HG22 ILE A 82 -2.518 -3.796 -14.036 1.00 31.24 H new ATOM 0 HG23 ILE A 82 -1.949 -2.409 -13.077 1.00 31.24 H new ATOM 0 HD11 ILE A 82 1.959 -3.402 -11.728 1.00 3.43 H new ATOM 0 HD12 ILE A 82 1.379 -4.753 -12.730 1.00 3.43 H new ATOM 0 HD13 ILE A 82 0.988 -3.077 -13.183 1.00 3.43 H new ATOM 1327 N ALA A 83 -3.012 -6.738 -10.523 1.00 52.42 N ATOM 1328 CA ALA A 83 -2.726 -7.935 -9.727 1.00 75.02 C ATOM 1329 C ALA A 83 -1.424 -8.584 -10.211 1.00 53.22 C ATOM 1330 O ALA A 83 -1.408 -9.293 -11.221 1.00 55.00 O ATOM 1331 CB ALA A 83 -3.889 -8.920 -9.801 1.00 33.31 C ATOM 0 H ALA A 83 -3.769 -6.848 -11.198 1.00 52.42 H new ATOM 0 HA ALA A 83 -2.602 -7.645 -8.684 1.00 75.02 H new ATOM 0 HB1 ALA A 83 -3.657 -9.802 -9.204 1.00 33.31 H new ATOM 0 HB2 ALA A 83 -4.792 -8.447 -9.415 1.00 33.31 H new ATOM 0 HB3 ALA A 83 -4.050 -9.216 -10.838 1.00 33.31 H new ATOM 1337 N ASP A 84 -0.331 -8.326 -9.497 1.00 52.32 N ATOM 1338 CA ASP A 84 0.996 -8.728 -9.959 1.00 12.31 C ATOM 1339 C ASP A 84 1.186 -10.257 -9.928 1.00 50.11 C ATOM 1340 O ASP A 84 0.468 -10.977 -9.233 1.00 33.30 O ATOM 1341 CB ASP A 84 2.076 -8.030 -9.128 1.00 1.14 C ATOM 1342 CG ASP A 84 3.442 -8.105 -9.788 1.00 55.55 C ATOM 1343 OD1 ASP A 84 4.163 -9.090 -9.554 1.00 24.33 O ATOM 1344 OD2 ASP A 84 3.781 -7.190 -10.567 1.00 73.11 O ATOM 0 H ASP A 84 -0.337 -7.842 -8.599 1.00 52.32 H new ATOM 0 HA ASP A 84 1.090 -8.419 -11.000 1.00 12.31 H new ATOM 0 HB2 ASP A 84 1.801 -6.985 -8.981 1.00 1.14 H new ATOM 0 HB3 ASP A 84 2.125 -8.488 -8.140 1.00 1.14 H new ATOM 1522 N TRP A 98 -2.516 -12.421 -2.895 1.00 73.34 N ATOM 1523 CA TRP A 98 -2.343 -11.564 -4.076 1.00 64.32 C ATOM 1524 C TRP A 98 -2.134 -10.070 -3.743 1.00 64.14 C ATOM 1525 O TRP A 98 -2.954 -9.419 -3.070 1.00 32.23 O ATOM 1526 CB TRP A 98 -3.501 -11.756 -5.072 1.00 3.44 C ATOM 1527 CG TRP A 98 -4.880 -11.424 -4.552 1.00 21.33 C ATOM 1528 CD1 TRP A 98 -5.394 -11.674 -3.309 1.00 11.10 C ATOM 1529 CD2 TRP A 98 -5.937 -10.808 -5.297 1.00 63.54 C ATOM 1530 NE1 TRP A 98 -6.697 -11.246 -3.242 1.00 50.31 N ATOM 1531 CE2 TRP A 98 -7.052 -10.711 -4.448 1.00 53.22 C ATOM 1532 CE3 TRP A 98 -6.039 -10.327 -6.603 1.00 4.05 C ATOM 1533 CZ2 TRP A 98 -8.261 -10.156 -4.862 1.00 34.42 C ATOM 1534 CZ3 TRP A 98 -7.236 -9.772 -7.016 1.00 3.45 C ATOM 1535 CH2 TRP A 98 -8.332 -9.690 -6.148 1.00 30.45 C ATOM 0 HA TRP A 98 -1.416 -11.891 -4.546 1.00 64.32 H new ATOM 0 HB2 TRP A 98 -3.306 -11.139 -5.949 1.00 3.44 H new ATOM 0 HB3 TRP A 98 -3.500 -12.794 -5.405 1.00 3.44 H new ATOM 0 HD1 TRP A 98 -4.854 -12.140 -2.498 1.00 11.10 H new ATOM 0 HE1 TRP A 98 -7.302 -11.316 -2.424 1.00 50.31 H new ATOM 0 HE3 TRP A 98 -5.199 -10.387 -7.279 1.00 4.05 H new ATOM 0 HZ2 TRP A 98 -9.109 -10.096 -4.195 1.00 34.42 H new ATOM 0 HZ3 TRP A 98 -7.327 -9.396 -8.024 1.00 3.45 H new ATOM 0 HH2 TRP A 98 -9.253 -9.250 -6.500 1.00 30.45 H new ATOM 1546 N TYR A 99 -1.010 -9.544 -4.235 1.00 0.33 N ATOM 1547 CA TYR A 99 -0.670 -8.128 -4.104 1.00 70.42 C ATOM 1548 C TYR A 99 -1.053 -7.351 -5.369 1.00 2.11 C ATOM 1549 O TYR A 99 -0.534 -7.609 -6.459 1.00 71.13 O ATOM 1550 CB TYR A 99 0.834 -7.952 -3.833 1.00 22.13 C ATOM 1551 CG TYR A 99 1.277 -8.456 -2.474 1.00 72.00 C ATOM 1552 CD1 TYR A 99 1.493 -9.809 -2.251 1.00 62.01 C ATOM 1553 CD2 TYR A 99 1.475 -7.578 -1.413 1.00 31.01 C ATOM 1554 CE1 TYR A 99 1.887 -10.274 -1.014 1.00 70.25 C ATOM 1555 CE2 TYR A 99 1.874 -8.036 -0.172 1.00 14.52 C ATOM 1556 CZ TYR A 99 2.075 -9.385 0.023 1.00 34.31 C ATOM 1557 OH TYR A 99 2.468 -9.851 1.256 1.00 41.25 O ATOM 0 H TYR A 99 -0.309 -10.090 -4.736 1.00 0.33 H new ATOM 0 HA TYR A 99 -1.236 -7.732 -3.261 1.00 70.42 H new ATOM 0 HB2 TYR A 99 1.396 -8.477 -4.605 1.00 22.13 H new ATOM 0 HB3 TYR A 99 1.087 -6.895 -3.918 1.00 22.13 H new ATOM 0 HD1 TYR A 99 1.350 -10.510 -3.060 1.00 62.01 H new ATOM 0 HD2 TYR A 99 1.314 -6.520 -1.562 1.00 31.01 H new ATOM 0 HE1 TYR A 99 2.048 -11.331 -0.858 1.00 70.25 H new ATOM 0 HE2 TYR A 99 2.027 -7.341 0.640 1.00 14.52 H new ATOM 0 HH TYR A 99 2.557 -9.098 1.877 1.00 41.25 H new ATOM 1567 N ILE A 100 -1.966 -6.402 -5.218 1.00 73.34 N ATOM 1568 CA ILE A 100 -2.383 -5.550 -6.327 1.00 54.24 C ATOM 1569 C ILE A 100 -1.597 -4.229 -6.306 1.00 33.13 C ATOM 1570 O ILE A 100 -1.825 -3.365 -5.459 1.00 54.11 O ATOM 1571 CB ILE A 100 -3.909 -5.267 -6.279 1.00 42.41 C ATOM 1572 CG1 ILE A 100 -4.686 -6.591 -6.145 1.00 63.53 C ATOM 1573 CG2 ILE A 100 -4.362 -4.507 -7.528 1.00 22.53 C ATOM 1574 CD1 ILE A 100 -6.192 -6.427 -6.140 1.00 12.01 C ATOM 0 H ILE A 100 -2.435 -6.201 -4.335 1.00 73.34 H new ATOM 0 HA ILE A 100 -2.169 -6.078 -7.256 1.00 54.24 H new ATOM 0 HB ILE A 100 -4.118 -4.644 -5.410 1.00 42.41 H new ATOM 0 HG12 ILE A 100 -4.406 -7.249 -6.968 1.00 63.53 H new ATOM 0 HG13 ILE A 100 -4.382 -7.086 -5.223 1.00 63.53 H new ATOM 0 HG21 ILE A 100 -5.434 -4.320 -7.471 1.00 22.53 H new ATOM 0 HG22 ILE A 100 -3.831 -3.557 -7.588 1.00 22.53 H new ATOM 0 HG23 ILE A 100 -4.144 -5.102 -8.415 1.00 22.53 H new ATOM 0 HD11 ILE A 100 -6.664 -7.405 -6.042 1.00 12.01 H new ATOM 0 HD12 ILE A 100 -6.487 -5.796 -5.301 1.00 12.01 H new ATOM 0 HD13 ILE A 100 -6.510 -5.962 -7.073 1.00 12.01 H new ATOM 1586 N LYS A 101 -0.644 -4.099 -7.224 1.00 0.13 N ATOM 1587 CA LYS A 101 0.226 -2.921 -7.280 1.00 12.34 C ATOM 1588 C LYS A 101 -0.488 -1.731 -7.936 1.00 15.21 C ATOM 1589 O LYS A 101 -1.159 -1.882 -8.956 1.00 11.31 O ATOM 1590 CB LYS A 101 1.511 -3.254 -8.050 1.00 20.05 C ATOM 1591 CG LYS A 101 2.311 -4.402 -7.438 1.00 0.12 C ATOM 1592 CD LYS A 101 3.511 -4.788 -8.303 1.00 2.12 C ATOM 1593 CE LYS A 101 4.559 -3.681 -8.373 1.00 15.43 C ATOM 1594 NZ LYS A 101 5.195 -3.433 -7.054 1.00 52.34 N ATOM 0 H LYS A 101 -0.451 -4.796 -7.943 1.00 0.13 H new ATOM 0 HA LYS A 101 0.480 -2.639 -6.258 1.00 12.34 H new ATOM 0 HB2 LYS A 101 1.253 -3.510 -9.078 1.00 20.05 H new ATOM 0 HB3 LYS A 101 2.141 -2.365 -8.091 1.00 20.05 H new ATOM 0 HG2 LYS A 101 2.657 -4.114 -6.445 1.00 0.12 H new ATOM 0 HG3 LYS A 101 1.662 -5.269 -7.310 1.00 0.12 H new ATOM 0 HD2 LYS A 101 3.968 -5.692 -7.902 1.00 2.12 H new ATOM 0 HD3 LYS A 101 3.168 -5.024 -9.310 1.00 2.12 H new ATOM 0 HE2 LYS A 101 5.325 -3.952 -9.100 1.00 15.43 H new ATOM 0 HE3 LYS A 101 4.093 -2.762 -8.729 1.00 15.43 H new ATOM 0 HZ1 LYS A 101 6.203 -3.216 -7.190 1.00 52.34 H new ATOM 0 HZ2 LYS A 101 4.727 -2.629 -6.589 1.00 52.34 H new ATOM 0 HZ3 LYS A 101 5.101 -4.280 -6.458 1.00 52.34 H new ATOM 1608 N ALA A 102 -0.338 -0.555 -7.344 1.00 3.01 N ATOM 1609 CA ALA A 102 -0.948 0.668 -7.869 1.00 3.40 C ATOM 1610 C ALA A 102 0.021 1.847 -7.754 1.00 74.44 C ATOM 1611 O ALA A 102 0.917 1.838 -6.915 1.00 52.42 O ATOM 1612 CB ALA A 102 -2.250 0.971 -7.133 1.00 3.41 C ATOM 0 H ALA A 102 0.205 -0.417 -6.492 1.00 3.01 H new ATOM 0 HA ALA A 102 -1.174 0.514 -8.924 1.00 3.40 H new ATOM 0 HB1 ALA A 102 -2.691 1.883 -7.535 1.00 3.41 H new ATOM 0 HB2 ALA A 102 -2.945 0.142 -7.267 1.00 3.41 H new ATOM 0 HB3 ALA A 102 -2.045 1.105 -6.071 1.00 3.41 H new ATOM 1618 N ASP A 103 -0.157 2.858 -8.598 1.00 52.53 N ATOM 1619 CA ASP A 103 0.726 4.026 -8.589 1.00 71.24 C ATOM 1620 C ASP A 103 0.335 5.016 -7.474 1.00 13.20 C ATOM 1621 O ASP A 103 1.164 5.793 -7.011 1.00 24.44 O ATOM 1622 CB ASP A 103 0.700 4.710 -9.962 1.00 24.23 C ATOM 1623 CG ASP A 103 1.823 5.724 -10.136 1.00 65.52 C ATOM 1624 OD1 ASP A 103 2.988 5.380 -9.840 1.00 32.51 O ATOM 1625 OD2 ASP A 103 1.551 6.849 -10.610 1.00 61.13 O ATOM 0 H ASP A 103 -0.900 2.895 -9.295 1.00 52.53 H new ATOM 0 HA ASP A 103 1.742 3.688 -8.382 1.00 71.24 H new ATOM 0 HB2 ASP A 103 0.776 3.952 -10.742 1.00 24.23 H new ATOM 0 HB3 ASP A 103 -0.259 5.210 -10.096 1.00 24.23 H new ATOM 1630 N ASP A 104 -0.929 4.965 -7.040 1.00 42.12 N ATOM 1631 CA ASP A 104 -1.419 5.829 -5.952 1.00 11.43 C ATOM 1632 C ASP A 104 -2.824 5.406 -5.475 1.00 41.14 C ATOM 1633 O ASP A 104 -3.559 4.713 -6.183 1.00 53.54 O ATOM 1634 CB ASP A 104 -1.417 7.306 -6.396 1.00 10.34 C ATOM 1635 CG ASP A 104 -1.946 8.253 -5.327 1.00 14.14 C ATOM 1636 OD1 ASP A 104 -1.573 8.096 -4.145 1.00 63.00 O ATOM 1637 OD2 ASP A 104 -2.740 9.151 -5.659 1.00 31.22 O ATOM 0 H ASP A 104 -1.634 4.336 -7.423 1.00 42.12 H new ATOM 0 HA ASP A 104 -0.740 5.715 -5.107 1.00 11.43 H new ATOM 0 HB2 ASP A 104 -0.401 7.598 -6.661 1.00 10.34 H new ATOM 0 HB3 ASP A 104 -2.023 7.409 -7.296 1.00 10.34 H new ATOM 1642 N ILE A 105 -3.175 5.823 -4.255 1.00 52.20 N ATOM 1643 CA ILE A 105 -4.481 5.519 -3.656 1.00 65.12 C ATOM 1644 C ILE A 105 -5.263 6.809 -3.338 1.00 71.43 C ATOM 1645 O ILE A 105 -4.907 7.546 -2.413 1.00 62.14 O ATOM 1646 CB ILE A 105 -4.326 4.702 -2.343 1.00 62.24 C ATOM 1647 CG1 ILE A 105 -3.433 3.470 -2.573 1.00 65.54 C ATOM 1648 CG2 ILE A 105 -5.697 4.285 -1.800 1.00 32.25 C ATOM 1649 CD1 ILE A 105 -3.234 2.611 -1.340 1.00 31.44 C ATOM 0 H ILE A 105 -2.565 6.379 -3.655 1.00 52.20 H new ATOM 0 HA ILE A 105 -5.030 4.928 -4.389 1.00 65.12 H new ATOM 0 HB ILE A 105 -3.845 5.338 -1.600 1.00 62.24 H new ATOM 0 HG12 ILE A 105 -3.872 2.859 -3.362 1.00 65.54 H new ATOM 0 HG13 ILE A 105 -2.459 3.803 -2.932 1.00 65.54 H new ATOM 0 HG21 ILE A 105 -5.566 3.714 -0.881 1.00 32.25 H new ATOM 0 HG22 ILE A 105 -6.292 5.174 -1.593 1.00 32.25 H new ATOM 0 HG23 ILE A 105 -6.209 3.669 -2.539 1.00 32.25 H new ATOM 0 HD11 ILE A 105 -2.593 1.764 -1.586 1.00 31.44 H new ATOM 0 HD12 ILE A 105 -2.765 3.204 -0.555 1.00 31.44 H new ATOM 0 HD13 ILE A 105 -4.200 2.246 -0.991 1.00 31.44 H new ATOM 1661 N VAL A 106 -6.324 7.071 -4.098 1.00 35.33 N ATOM 1662 CA VAL A 106 -7.182 8.244 -3.868 1.00 34.41 C ATOM 1663 C VAL A 106 -8.587 7.820 -3.406 1.00 34.22 C ATOM 1664 O VAL A 106 -8.883 6.629 -3.296 1.00 52.02 O ATOM 1665 CB VAL A 106 -7.309 9.123 -5.141 1.00 43.31 C ATOM 1666 CG1 VAL A 106 -5.955 9.708 -5.534 1.00 31.15 C ATOM 1667 CG2 VAL A 106 -7.906 8.329 -6.299 1.00 72.35 C ATOM 0 H VAL A 106 -6.616 6.488 -4.882 1.00 35.33 H new ATOM 0 HA VAL A 106 -6.704 8.831 -3.084 1.00 34.41 H new ATOM 0 HB VAL A 106 -7.985 9.946 -4.911 1.00 43.31 H new ATOM 0 HG11 VAL A 106 -6.069 10.320 -6.429 1.00 31.15 H new ATOM 0 HG12 VAL A 106 -5.574 10.324 -4.719 1.00 31.15 H new ATOM 0 HG13 VAL A 106 -5.253 8.898 -5.735 1.00 31.15 H new ATOM 0 HG21 VAL A 106 -7.983 8.969 -7.178 1.00 72.35 H new ATOM 0 HG22 VAL A 106 -7.264 7.478 -6.526 1.00 72.35 H new ATOM 0 HG23 VAL A 106 -8.898 7.972 -6.022 1.00 72.35 H new ATOM 1677 N LEU A 107 -9.451 8.795 -3.137 1.00 12.35 N ATOM 1678 CA LEU A 107 -10.826 8.512 -2.707 1.00 51.23 C ATOM 1679 C LEU A 107 -11.766 8.355 -3.910 1.00 52.33 C ATOM 1680 O LEU A 107 -11.544 8.936 -4.973 1.00 42.53 O ATOM 1681 CB LEU A 107 -11.342 9.634 -1.791 1.00 75.21 C ATOM 1682 CG LEU A 107 -10.629 9.765 -0.435 1.00 1.33 C ATOM 1683 CD1 LEU A 107 -11.132 10.990 0.328 1.00 24.03 C ATOM 1684 CD2 LEU A 107 -10.824 8.495 0.392 1.00 22.42 C ATOM 0 H LEU A 107 -9.228 9.788 -3.208 1.00 12.35 H new ATOM 0 HA LEU A 107 -10.813 7.572 -2.156 1.00 51.23 H new ATOM 0 HB2 LEU A 107 -11.252 10.582 -2.322 1.00 75.21 H new ATOM 0 HB3 LEU A 107 -12.404 9.470 -1.609 1.00 75.21 H new ATOM 0 HG LEU A 107 -9.563 9.898 -0.619 1.00 1.33 H new ATOM 0 HD11 LEU A 107 -10.613 11.062 1.284 1.00 24.03 H new ATOM 0 HD12 LEU A 107 -10.939 11.888 -0.258 1.00 24.03 H new ATOM 0 HD13 LEU A 107 -12.204 10.895 0.503 1.00 24.03 H new ATOM 0 HD21 LEU A 107 -10.314 8.602 1.349 1.00 22.42 H new ATOM 0 HD22 LEU A 107 -11.888 8.333 0.564 1.00 22.42 H new ATOM 0 HD23 LEU A 107 -10.409 7.643 -0.147 1.00 22.42 H new ATOM 1696 N THR A 108 -12.818 7.561 -3.742 1.00 53.20 N ATOM 1697 CA THR A 108 -13.833 7.389 -4.790 1.00 60.05 C ATOM 1698 C THR A 108 -14.907 8.478 -4.669 1.00 34.24 C ATOM 1699 O THR A 108 -15.372 8.771 -3.568 1.00 5.32 O ATOM 1700 CB THR A 108 -14.512 5.995 -4.710 1.00 32.31 C ATOM 1701 OG1 THR A 108 -13.517 4.966 -4.600 1.00 11.13 O ATOM 1702 CG2 THR A 108 -15.367 5.727 -5.945 1.00 73.53 C ATOM 0 H THR A 108 -12.995 7.024 -2.893 1.00 53.20 H new ATOM 0 HA THR A 108 -13.325 7.470 -5.751 1.00 60.05 H new ATOM 0 HB THR A 108 -15.153 5.989 -3.828 1.00 32.31 H new ATOM 0 HG1 THR A 108 -13.956 4.091 -4.548 1.00 11.13 H new ATOM 0 HG21 THR A 108 -15.830 4.744 -5.861 1.00 73.53 H new ATOM 0 HG22 THR A 108 -16.143 6.488 -6.022 1.00 73.53 H new ATOM 0 HG23 THR A 108 -14.739 5.757 -6.836 1.00 73.53 H new