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 58 GLN :FLIP amide:sc= -0.0284 F(o=-0.61,f=-0.028) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot -61:sc= 0.891 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0.781 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.816 K(o=0.82,f=-0.5) USER MOD Single : A 32 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 36 SER OG : rot -91:sc= 0.708 USER MOD Single : A 38 SER OG : rot 180:sc= -0.105 USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= -0.575 (180deg=-1.7!) USER MOD Single : A 46 TYR OH : rot 100:sc= -2.47! USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -1.74! (180deg=-3.14!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 157:sc= 0 (180deg=-0.308) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 2.28 (180deg=1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.71) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.78! C(o=-4!,f=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0.99) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.428 -0.159 -3.743 1.00 64.23 N ATOM 282 CA LEU A 19 -12.669 -0.856 -2.697 1.00 32.14 C ATOM 283 C LEU A 19 -12.878 -0.168 -1.338 1.00 1.14 C ATOM 284 O LEU A 19 -13.232 1.008 -1.279 1.00 75.21 O ATOM 285 CB LEU A 19 -11.176 -0.881 -3.057 1.00 74.12 C ATOM 286 CG LEU A 19 -10.844 -1.484 -4.434 1.00 63.22 C ATOM 287 CD1 LEU A 19 -9.349 -1.382 -4.726 1.00 44.10 C ATOM 288 CD2 LEU A 19 -11.316 -2.936 -4.519 1.00 61.22 C ATOM 0 HA LEU A 19 -13.030 -1.882 -2.626 1.00 32.14 H new ATOM 0 HB2 LEU A 19 -10.793 0.139 -3.023 1.00 74.12 H new ATOM 0 HB3 LEU A 19 -10.644 -1.447 -2.292 1.00 74.12 H new ATOM 0 HG LEU A 19 -11.376 -0.909 -5.192 1.00 63.22 H new ATOM 0 HD11 LEU A 19 -9.139 -1.815 -5.704 1.00 44.10 H new ATOM 0 HD12 LEU A 19 -9.048 -0.334 -4.720 1.00 44.10 H new ATOM 0 HD13 LEU A 19 -8.791 -1.924 -3.962 1.00 44.10 H new ATOM 0 HD21 LEU A 19 -11.071 -3.341 -5.501 1.00 61.22 H new ATOM 0 HD22 LEU A 19 -10.819 -3.526 -3.748 1.00 61.22 H new ATOM 0 HD23 LEU A 19 -12.395 -2.977 -4.369 1.00 61.22 H new ATOM 300 N LYS A 20 -12.671 -0.893 -0.245 1.00 14.22 N ATOM 301 CA LYS A 20 -12.887 -0.325 1.091 1.00 13.41 C ATOM 302 C LYS A 20 -11.621 -0.420 1.958 1.00 33.01 C ATOM 303 O LYS A 20 -11.168 -1.510 2.300 1.00 74.33 O ATOM 304 CB LYS A 20 -14.073 -1.023 1.775 1.00 43.04 C ATOM 305 CG LYS A 20 -15.344 -1.023 0.918 1.00 53.03 C ATOM 306 CD LYS A 20 -16.578 -1.503 1.682 1.00 45.34 C ATOM 307 CE LYS A 20 -16.946 -0.556 2.820 1.00 2.14 C ATOM 308 NZ LYS A 20 -18.308 -0.824 3.352 1.00 64.23 N ATOM 0 H LYS A 20 -12.358 -1.864 -0.250 1.00 14.22 H new ATOM 0 HA LYS A 20 -13.120 0.733 0.975 1.00 13.41 H new ATOM 0 HB2 LYS A 20 -13.798 -2.052 2.006 1.00 43.04 H new ATOM 0 HB3 LYS A 20 -14.281 -0.528 2.723 1.00 43.04 H new ATOM 0 HG2 LYS A 20 -15.524 -0.015 0.544 1.00 53.03 H new ATOM 0 HG3 LYS A 20 -15.190 -1.662 0.049 1.00 53.03 H new ATOM 0 HD2 LYS A 20 -17.420 -1.589 0.995 1.00 45.34 H new ATOM 0 HD3 LYS A 20 -16.392 -2.499 2.084 1.00 45.34 H new ATOM 0 HE2 LYS A 20 -16.217 -0.656 3.624 1.00 2.14 H new ATOM 0 HE3 LYS A 20 -16.891 0.474 2.466 1.00 2.14 H new ATOM 0 HZ1 LYS A 20 -18.517 -0.158 4.123 1.00 64.23 H new ATOM 0 HZ2 LYS A 20 -19.007 -0.704 2.592 1.00 64.23 H new ATOM 0 HZ3 LYS A 20 -18.354 -1.798 3.714 1.00 64.23 H new ATOM 322 N PHE A 21 -11.057 0.736 2.307 1.00 15.12 N ATOM 323 CA PHE A 21 -9.801 0.807 3.072 1.00 41.13 C ATOM 324 C PHE A 21 -9.941 0.199 4.483 1.00 54.05 C ATOM 325 O PHE A 21 -10.883 0.509 5.206 1.00 45.31 O ATOM 326 CB PHE A 21 -9.347 2.270 3.175 1.00 52.22 C ATOM 327 CG PHE A 21 -8.042 2.463 3.916 1.00 62.44 C ATOM 328 CD1 PHE A 21 -6.829 2.204 3.291 1.00 63.04 C ATOM 329 CD2 PHE A 21 -8.029 2.909 5.233 1.00 24.20 C ATOM 330 CE1 PHE A 21 -5.635 2.384 3.961 1.00 64.20 C ATOM 331 CE2 PHE A 21 -6.836 3.089 5.907 1.00 44.43 C ATOM 332 CZ PHE A 21 -5.638 2.828 5.270 1.00 71.12 C ATOM 0 H PHE A 21 -11.451 1.647 2.072 1.00 15.12 H new ATOM 0 HA PHE A 21 -9.054 0.218 2.539 1.00 41.13 H new ATOM 0 HB2 PHE A 21 -9.245 2.679 2.170 1.00 52.22 H new ATOM 0 HB3 PHE A 21 -10.125 2.846 3.676 1.00 52.22 H new ATOM 0 HD1 PHE A 21 -6.819 1.857 2.268 1.00 63.04 H new ATOM 0 HD2 PHE A 21 -8.962 3.117 5.735 1.00 24.20 H new ATOM 0 HE1 PHE A 21 -4.699 2.178 3.463 1.00 64.20 H new ATOM 0 HE2 PHE A 21 -6.840 3.433 6.931 1.00 44.43 H new ATOM 0 HZ PHE A 21 -4.705 2.971 5.794 1.00 71.12 H new ATOM 342 N SER A 22 -8.992 -0.660 4.871 1.00 1.23 N ATOM 343 CA SER A 22 -9.011 -1.272 6.211 1.00 15.34 C ATOM 344 C SER A 22 -7.895 -0.722 7.115 1.00 42.03 C ATOM 345 O SER A 22 -8.171 -0.062 8.118 1.00 73.33 O ATOM 346 CB SER A 22 -8.883 -2.800 6.107 1.00 23.03 C ATOM 347 OG SER A 22 -8.851 -3.412 7.391 1.00 52.52 O ATOM 0 H SER A 22 -8.208 -0.947 4.286 1.00 1.23 H new ATOM 0 HA SER A 22 -9.968 -1.014 6.665 1.00 15.34 H new ATOM 0 HB2 SER A 22 -9.721 -3.198 5.535 1.00 23.03 H new ATOM 0 HB3 SER A 22 -7.975 -3.053 5.560 1.00 23.03 H new ATOM 0 HG SER A 22 -8.771 -4.383 7.289 1.00 52.52 H new ATOM 353 N ALA A 23 -6.636 -0.983 6.754 1.00 54.32 N ATOM 354 CA ALA A 23 -5.489 -0.527 7.559 1.00 42.41 C ATOM 355 C ALA A 23 -4.184 -0.508 6.746 1.00 63.21 C ATOM 356 O ALA A 23 -4.143 -0.951 5.599 1.00 51.32 O ATOM 357 CB ALA A 23 -5.333 -1.416 8.788 1.00 24.03 C ATOM 0 H ALA A 23 -6.381 -1.504 5.915 1.00 54.32 H new ATOM 0 HA ALA A 23 -5.690 0.498 7.872 1.00 42.41 H new ATOM 0 HB1 ALA A 23 -4.483 -1.074 9.379 1.00 24.03 H new ATOM 0 HB2 ALA A 23 -6.239 -1.365 9.392 1.00 24.03 H new ATOM 0 HB3 ALA A 23 -5.165 -2.446 8.473 1.00 24.03 H new ATOM 363 N LEU A 24 -3.116 0.015 7.353 1.00 24.44 N ATOM 364 CA LEU A 24 -1.779 -0.024 6.748 1.00 31.44 C ATOM 365 C LEU A 24 -1.052 -1.322 7.137 1.00 4.23 C ATOM 366 O LEU A 24 -0.785 -1.565 8.316 1.00 74.25 O ATOM 367 CB LEU A 24 -0.960 1.199 7.194 1.00 45.23 C ATOM 368 CG LEU A 24 0.498 1.247 6.696 1.00 54.21 C ATOM 369 CD1 LEU A 24 0.553 1.274 5.172 1.00 64.32 C ATOM 370 CD2 LEU A 24 1.231 2.452 7.292 1.00 34.33 C ATOM 0 H LEU A 24 -3.150 0.472 8.265 1.00 24.44 H new ATOM 0 HA LEU A 24 -1.886 0.001 5.664 1.00 31.44 H new ATOM 0 HB2 LEU A 24 -1.471 2.099 6.852 1.00 45.23 H new ATOM 0 HB3 LEU A 24 -0.953 1.231 8.284 1.00 45.23 H new ATOM 0 HG LEU A 24 1.003 0.341 7.032 1.00 54.21 H new ATOM 0 HD11 LEU A 24 1.593 1.308 4.846 1.00 64.32 H new ATOM 0 HD12 LEU A 24 0.077 0.377 4.775 1.00 64.32 H new ATOM 0 HD13 LEU A 24 0.029 2.156 4.805 1.00 64.32 H new ATOM 0 HD21 LEU A 24 2.259 2.469 6.929 1.00 34.33 H new ATOM 0 HD22 LEU A 24 0.725 3.370 6.993 1.00 34.33 H new ATOM 0 HD23 LEU A 24 1.232 2.376 8.379 1.00 34.33 H new ATOM 382 N ARG A 25 -0.737 -2.147 6.146 1.00 74.13 N ATOM 383 CA ARG A 25 -0.093 -3.441 6.389 1.00 62.42 C ATOM 384 C ARG A 25 1.378 -3.284 6.799 1.00 3.40 C ATOM 385 O ARG A 25 1.776 -3.679 7.896 1.00 24.33 O ATOM 386 CB ARG A 25 -0.173 -4.321 5.134 1.00 21.12 C ATOM 387 CG ARG A 25 0.565 -5.653 5.268 1.00 61.35 C ATOM 388 CD ARG A 25 -0.091 -6.570 6.295 1.00 10.32 C ATOM 389 NE ARG A 25 -1.451 -6.915 5.900 1.00 10.40 N ATOM 390 CZ ARG A 25 -1.953 -8.114 5.951 1.00 52.01 C ATOM 391 NH1 ARG A 25 -1.289 -9.093 6.468 1.00 13.44 N ATOM 392 NH2 ARG A 25 -3.137 -8.322 5.490 1.00 61.42 N ATOM 0 H ARG A 25 -0.916 -1.946 5.162 1.00 74.13 H new ATOM 0 HA ARG A 25 -0.629 -3.914 7.212 1.00 62.42 H new ATOM 0 HB2 ARG A 25 -1.220 -4.518 4.905 1.00 21.12 H new ATOM 0 HB3 ARG A 25 0.240 -3.771 4.289 1.00 21.12 H new ATOM 0 HG2 ARG A 25 0.590 -6.153 4.300 1.00 61.35 H new ATOM 0 HG3 ARG A 25 1.599 -5.467 5.557 1.00 61.35 H new ATOM 0 HD2 ARG A 25 0.500 -7.479 6.405 1.00 10.32 H new ATOM 0 HD3 ARG A 25 -0.105 -6.079 7.268 1.00 10.32 H new ATOM 0 HE ARG A 25 -2.051 -6.164 5.560 1.00 10.40 H new ATOM 0 HH11 ARG A 25 -0.355 -8.933 6.845 1.00 13.44 H new ATOM 0 HH12 ARG A 25 -1.699 -10.027 6.499 1.00 13.44 H new ATOM 0 HH21 ARG A 25 -3.671 -7.551 5.090 1.00 61.42 H new ATOM 0 HH22 ARG A 25 -3.541 -9.258 5.525 1.00 61.42 H new ATOM 406 N ARG A 26 2.179 -2.721 5.898 1.00 64.11 N ATOM 407 CA ARG A 26 3.624 -2.599 6.111 1.00 15.44 C ATOM 408 C ARG A 26 4.275 -1.708 5.052 1.00 3.45 C ATOM 409 O ARG A 26 3.878 -1.718 3.890 1.00 31.33 O ATOM 410 CB ARG A 26 4.290 -3.992 6.075 1.00 62.22 C ATOM 411 CG ARG A 26 5.815 -3.945 6.095 1.00 32.53 C ATOM 412 CD ARG A 26 6.444 -5.331 6.144 1.00 62.51 C ATOM 413 NE ARG A 26 7.901 -5.250 6.227 1.00 12.04 N ATOM 414 CZ ARG A 26 8.711 -6.256 6.047 1.00 42.34 C ATOM 415 NH1 ARG A 26 8.261 -7.428 5.740 1.00 51.30 N ATOM 416 NH2 ARG A 26 9.985 -6.079 6.152 1.00 41.00 N ATOM 0 H ARG A 26 1.853 -2.340 5.010 1.00 64.11 H new ATOM 0 HA ARG A 26 3.771 -2.142 7.089 1.00 15.44 H new ATOM 0 HB2 ARG A 26 3.942 -4.573 6.929 1.00 62.22 H new ATOM 0 HB3 ARG A 26 3.964 -4.518 5.178 1.00 62.22 H new ATOM 0 HG2 ARG A 26 6.170 -3.420 5.208 1.00 32.53 H new ATOM 0 HG3 ARG A 26 6.146 -3.369 6.960 1.00 32.53 H new ATOM 0 HD2 ARG A 26 6.058 -5.878 7.005 1.00 62.51 H new ATOM 0 HD3 ARG A 26 6.159 -5.894 5.255 1.00 62.51 H new ATOM 0 HE ARG A 26 8.314 -4.342 6.441 1.00 12.04 H new ATOM 0 HH11 ARG A 26 7.258 -7.578 5.635 1.00 51.30 H new ATOM 0 HH12 ARG A 26 8.909 -8.203 5.603 1.00 51.30 H new ATOM 0 HH21 ARG A 26 10.355 -5.155 6.375 1.00 41.00 H new ATOM 0 HH22 ARG A 26 10.622 -6.863 6.012 1.00 41.00 H new ATOM 430 N GLU A 27 5.271 -0.938 5.465 1.00 53.35 N ATOM 431 CA GLU A 27 6.114 -0.197 4.529 1.00 54.20 C ATOM 432 C GLU A 27 7.477 -0.885 4.419 1.00 0.05 C ATOM 433 O GLU A 27 8.300 -0.785 5.328 1.00 41.25 O ATOM 434 CB GLU A 27 6.298 1.253 4.994 1.00 65.51 C ATOM 435 CG GLU A 27 4.992 2.010 5.206 1.00 63.40 C ATOM 436 CD GLU A 27 5.218 3.456 5.617 1.00 62.01 C ATOM 437 OE1 GLU A 27 5.618 3.693 6.779 1.00 2.32 O ATOM 438 OE2 GLU A 27 5.002 4.360 4.779 1.00 1.21 O ATOM 0 H GLU A 27 5.518 -0.808 6.446 1.00 53.35 H new ATOM 0 HA GLU A 27 5.629 -0.185 3.553 1.00 54.20 H new ATOM 0 HB2 GLU A 27 6.862 1.255 5.927 1.00 65.51 H new ATOM 0 HB3 GLU A 27 6.899 1.786 4.257 1.00 65.51 H new ATOM 0 HG2 GLU A 27 4.407 1.984 4.286 1.00 63.40 H new ATOM 0 HG3 GLU A 27 4.403 1.505 5.972 1.00 63.40 H new ATOM 445 N VAL A 28 7.704 -1.607 3.327 1.00 34.44 N ATOM 446 CA VAL A 28 8.974 -2.309 3.128 1.00 34.02 C ATOM 447 C VAL A 28 10.130 -1.309 2.938 1.00 21.03 C ATOM 448 O VAL A 28 10.296 -0.709 1.875 1.00 71.10 O ATOM 449 CB VAL A 28 8.899 -3.303 1.937 1.00 52.54 C ATOM 450 CG1 VAL A 28 7.995 -4.484 2.290 1.00 33.51 C ATOM 451 CG2 VAL A 28 8.406 -2.616 0.661 1.00 15.13 C ATOM 0 H VAL A 28 7.032 -1.723 2.568 1.00 34.44 H new ATOM 0 HA VAL A 28 9.171 -2.892 4.028 1.00 34.02 H new ATOM 0 HB VAL A 28 9.907 -3.671 1.746 1.00 52.54 H new ATOM 0 HG11 VAL A 28 7.951 -5.173 1.447 1.00 33.51 H new ATOM 0 HG12 VAL A 28 8.396 -5.002 3.161 1.00 33.51 H new ATOM 0 HG13 VAL A 28 6.992 -4.120 2.514 1.00 33.51 H new ATOM 0 HG21 VAL A 28 8.366 -3.342 -0.151 1.00 15.13 H new ATOM 0 HG22 VAL A 28 7.410 -2.206 0.830 1.00 15.13 H new ATOM 0 HG23 VAL A 28 9.090 -1.810 0.394 1.00 15.13 H new ATOM 461 N ARG A 29 10.912 -1.114 3.997 1.00 61.34 N ATOM 462 CA ARG A 29 11.940 -0.066 4.023 1.00 24.12 C ATOM 463 C ARG A 29 13.342 -0.603 3.705 1.00 13.41 C ATOM 464 O ARG A 29 13.620 -1.794 3.854 1.00 70.01 O ATOM 465 CB ARG A 29 11.926 0.646 5.383 1.00 51.34 C ATOM 466 CG ARG A 29 10.588 1.315 5.687 1.00 50.21 C ATOM 467 CD ARG A 29 10.602 2.099 6.996 1.00 15.21 C ATOM 468 NE ARG A 29 9.319 2.768 7.230 1.00 11.22 N ATOM 469 CZ ARG A 29 9.057 3.530 8.259 1.00 53.23 C ATOM 470 NH1 ARG A 29 9.952 3.753 9.168 1.00 2.55 N ATOM 471 NH2 ARG A 29 7.890 4.081 8.374 1.00 2.21 N ATOM 0 H ARG A 29 10.856 -1.667 4.852 1.00 61.34 H new ATOM 0 HA ARG A 29 11.697 0.648 3.236 1.00 24.12 H new ATOM 0 HB2 ARG A 29 12.153 -0.075 6.168 1.00 51.34 H new ATOM 0 HB3 ARG A 29 12.715 1.397 5.403 1.00 51.34 H new ATOM 0 HG2 ARG A 29 10.329 1.987 4.869 1.00 50.21 H new ATOM 0 HG3 ARG A 29 9.809 0.554 5.733 1.00 50.21 H new ATOM 0 HD2 ARG A 29 10.819 1.424 7.824 1.00 15.21 H new ATOM 0 HD3 ARG A 29 11.401 2.840 6.970 1.00 15.21 H new ATOM 0 HE ARG A 29 8.579 2.629 6.542 1.00 11.22 H new ATOM 0 HH11 ARG A 29 10.877 3.331 9.087 1.00 2.55 H new ATOM 0 HH12 ARG A 29 9.732 4.350 9.965 1.00 2.55 H new ATOM 0 HH21 ARG A 29 7.178 3.920 7.662 1.00 2.21 H new ATOM 0 HH22 ARG A 29 7.684 4.676 9.176 1.00 2.21 H new ATOM 485 N ILE A 30 14.218 0.299 3.273 1.00 5.12 N ATOM 486 CA ILE A 30 15.570 -0.054 2.840 1.00 42.44 C ATOM 487 C ILE A 30 16.450 -0.518 4.013 1.00 32.03 C ATOM 488 O ILE A 30 16.826 0.279 4.874 1.00 32.54 O ATOM 489 CB ILE A 30 16.241 1.155 2.137 1.00 63.30 C ATOM 490 CG1 ILE A 30 15.375 1.633 0.954 1.00 61.31 C ATOM 491 CG2 ILE A 30 17.655 0.804 1.672 1.00 41.41 C ATOM 492 CD1 ILE A 30 15.900 2.878 0.268 1.00 70.20 C ATOM 0 H ILE A 30 14.012 1.296 3.212 1.00 5.12 H new ATOM 0 HA ILE A 30 15.477 -0.885 2.141 1.00 42.44 H new ATOM 0 HB ILE A 30 16.322 1.969 2.857 1.00 63.30 H new ATOM 0 HG12 ILE A 30 15.304 0.829 0.221 1.00 61.31 H new ATOM 0 HG13 ILE A 30 14.364 1.827 1.312 1.00 61.31 H new ATOM 0 HG21 ILE A 30 18.102 1.669 1.183 1.00 41.41 H new ATOM 0 HG22 ILE A 30 18.261 0.520 2.532 1.00 41.41 H new ATOM 0 HG23 ILE A 30 17.611 -0.028 0.969 1.00 41.41 H new ATOM 0 HD11 ILE A 30 15.235 3.149 -0.552 1.00 70.20 H new ATOM 0 HD12 ILE A 30 15.944 3.698 0.985 1.00 70.20 H new ATOM 0 HD13 ILE A 30 16.899 2.684 -0.123 1.00 70.20 H new ATOM 504 N GLN A 31 16.761 -1.809 4.051 1.00 4.31 N ATOM 505 CA GLN A 31 17.679 -2.352 5.053 1.00 2.33 C ATOM 506 C GLN A 31 19.130 -2.237 4.565 1.00 53.03 C ATOM 507 O GLN A 31 19.475 -2.721 3.485 1.00 20.32 O ATOM 508 CB GLN A 31 17.345 -3.819 5.364 1.00 73.11 C ATOM 509 CG GLN A 31 18.229 -4.429 6.450 1.00 34.25 C ATOM 510 CD GLN A 31 17.920 -5.892 6.723 1.00 10.12 C ATOM 511 OE1 GLN A 31 17.502 -6.634 5.840 1.00 71.15 O ATOM 512 NE2 GLN A 31 18.118 -6.320 7.952 1.00 14.13 N ATOM 0 H GLN A 31 16.392 -2.502 3.400 1.00 4.31 H new ATOM 0 HA GLN A 31 17.564 -1.770 5.968 1.00 2.33 H new ATOM 0 HB2 GLN A 31 16.302 -3.888 5.674 1.00 73.11 H new ATOM 0 HB3 GLN A 31 17.446 -4.407 4.452 1.00 73.11 H new ATOM 0 HG2 GLN A 31 19.274 -4.334 6.154 1.00 34.25 H new ATOM 0 HG3 GLN A 31 18.106 -3.860 7.372 1.00 34.25 H new ATOM 0 HE21 GLN A 31 18.466 -5.679 8.665 1.00 14.13 H new ATOM 0 HE22 GLN A 31 17.923 -7.292 8.191 1.00 14.13 H new ATOM 521 N ASN A 32 19.976 -1.594 5.362 1.00 21.21 N ATOM 522 CA ASN A 32 21.380 -1.395 4.995 1.00 14.25 C ATOM 523 C ASN A 32 22.171 -2.711 5.038 1.00 73.41 C ATOM 524 O ASN A 32 21.802 -3.647 5.753 1.00 73.33 O ATOM 525 CB ASN A 32 22.043 -0.386 5.943 1.00 65.41 C ATOM 526 CG ASN A 32 21.379 0.975 5.911 1.00 1.24 C ATOM 527 OD1 ASN A 32 21.723 1.828 5.098 1.00 44.02 O ATOM 528 ND2 ASN A 32 20.445 1.204 6.813 1.00 33.34 N ATOM 0 H ASN A 32 19.718 -1.200 6.267 1.00 21.21 H new ATOM 0 HA ASN A 32 21.393 -1.013 3.974 1.00 14.25 H new ATOM 0 HB2 ASN A 32 22.012 -0.776 6.960 1.00 65.41 H new ATOM 0 HB3 ASN A 32 23.094 -0.279 5.674 1.00 65.41 H new ATOM 0 HD21 ASN A 32 19.984 2.113 6.850 1.00 33.34 H new ATOM 0 HD22 ASN A 32 20.184 0.472 7.474 1.00 33.34 H new ATOM 535 N GLU A 33 23.258 -2.775 4.277 1.00 11.35 N ATOM 536 CA GLU A 33 24.223 -3.882 4.384 1.00 74.31 C ATOM 537 C GLU A 33 24.807 -3.959 5.809 1.00 73.53 C ATOM 538 O GLU A 33 25.273 -5.010 6.257 1.00 72.32 O ATOM 539 CB GLU A 33 25.343 -3.731 3.329 1.00 54.40 C ATOM 540 CG GLU A 33 25.681 -2.285 2.947 1.00 60.03 C ATOM 541 CD GLU A 33 26.103 -1.425 4.128 1.00 43.23 C ATOM 542 OE1 GLU A 33 27.292 -1.463 4.500 1.00 12.33 O ATOM 543 OE2 GLU A 33 25.240 -0.712 4.687 1.00 14.14 O ATOM 0 H GLU A 33 23.500 -2.075 3.575 1.00 11.35 H new ATOM 0 HA GLU A 33 23.699 -4.817 4.186 1.00 74.31 H new ATOM 0 HB2 GLU A 33 26.245 -4.212 3.707 1.00 54.40 H new ATOM 0 HB3 GLU A 33 25.048 -4.270 2.428 1.00 54.40 H new ATOM 0 HG2 GLU A 33 26.483 -2.291 2.208 1.00 60.03 H new ATOM 0 HG3 GLU A 33 24.812 -1.832 2.470 1.00 60.03 H new ATOM 550 N ASP A 34 24.769 -2.828 6.509 1.00 4.13 N ATOM 551 CA ASP A 34 25.100 -2.759 7.935 1.00 14.30 C ATOM 552 C ASP A 34 24.199 -3.691 8.770 1.00 32.04 C ATOM 553 O ASP A 34 24.597 -4.183 9.827 1.00 51.03 O ATOM 554 CB ASP A 34 24.955 -1.303 8.403 1.00 71.04 C ATOM 555 CG ASP A 34 25.064 -1.145 9.908 1.00 52.10 C ATOM 556 OD1 ASP A 34 26.196 -1.084 10.428 1.00 23.32 O ATOM 557 OD2 ASP A 34 24.012 -1.065 10.579 1.00 63.35 O ATOM 0 H ASP A 34 24.507 -1.929 6.104 1.00 4.13 H new ATOM 0 HA ASP A 34 26.127 -3.095 8.079 1.00 14.30 H new ATOM 0 HB2 ASP A 34 25.723 -0.696 7.924 1.00 71.04 H new ATOM 0 HB3 ASP A 34 23.991 -0.916 8.072 1.00 71.04 H new ATOM 562 N GLY A 35 22.987 -3.934 8.278 1.00 32.33 N ATOM 563 CA GLY A 35 22.025 -4.768 8.993 1.00 12.15 C ATOM 564 C GLY A 35 20.819 -3.974 9.487 1.00 4.21 C ATOM 565 O GLY A 35 19.690 -4.468 9.477 1.00 50.32 O ATOM 0 H GLY A 35 22.648 -3.566 7.389 1.00 32.33 H new ATOM 0 HA2 GLY A 35 21.685 -5.569 8.337 1.00 12.15 H new ATOM 0 HA3 GLY A 35 22.518 -5.240 9.843 1.00 12.15 H new ATOM 569 N SER A 36 21.063 -2.737 9.909 1.00 11.21 N ATOM 570 CA SER A 36 19.996 -1.856 10.401 1.00 14.03 C ATOM 571 C SER A 36 19.082 -1.378 9.265 1.00 4.15 C ATOM 572 O SER A 36 19.510 -1.241 8.117 1.00 12.41 O ATOM 573 CB SER A 36 20.600 -0.638 11.111 1.00 15.00 C ATOM 574 OG SER A 36 21.392 0.133 10.218 1.00 50.20 O ATOM 0 H SER A 36 21.992 -2.316 9.922 1.00 11.21 H new ATOM 0 HA SER A 36 19.395 -2.435 11.102 1.00 14.03 H new ATOM 0 HB2 SER A 36 19.802 -0.019 11.521 1.00 15.00 H new ATOM 0 HB3 SER A 36 21.211 -0.969 11.951 1.00 15.00 H new ATOM 0 HG SER A 36 22.320 -0.180 10.250 1.00 50.20 H new ATOM 580 N VAL A 37 17.822 -1.118 9.597 1.00 52.12 N ATOM 581 CA VAL A 37 16.835 -0.661 8.616 1.00 40.13 C ATOM 582 C VAL A 37 16.775 0.876 8.566 1.00 65.32 C ATOM 583 O VAL A 37 16.966 1.547 9.581 1.00 1.43 O ATOM 584 CB VAL A 37 15.428 -1.219 8.949 1.00 51.00 C ATOM 585 CG1 VAL A 37 14.429 -0.899 7.837 1.00 3.31 C ATOM 586 CG2 VAL A 37 15.500 -2.726 9.207 1.00 4.21 C ATOM 0 H VAL A 37 17.455 -1.216 10.544 1.00 52.12 H new ATOM 0 HA VAL A 37 17.147 -1.035 7.641 1.00 40.13 H new ATOM 0 HB VAL A 37 15.074 -0.732 9.857 1.00 51.00 H new ATOM 0 HG11 VAL A 37 13.451 -1.303 8.099 1.00 3.31 H new ATOM 0 HG12 VAL A 37 14.354 0.182 7.715 1.00 3.31 H new ATOM 0 HG13 VAL A 37 14.768 -1.347 6.903 1.00 3.31 H new ATOM 0 HG21 VAL A 37 14.504 -3.103 9.440 1.00 4.21 H new ATOM 0 HG22 VAL A 37 15.880 -3.230 8.318 1.00 4.21 H new ATOM 0 HG23 VAL A 37 16.167 -2.920 10.047 1.00 4.21 H new ATOM 596 N SER A 38 16.526 1.430 7.383 1.00 44.44 N ATOM 597 CA SER A 38 16.441 2.889 7.214 1.00 2.22 C ATOM 598 C SER A 38 14.987 3.370 7.132 1.00 53.50 C ATOM 599 O SER A 38 14.068 2.583 6.894 1.00 62.43 O ATOM 600 CB SER A 38 17.188 3.328 5.948 1.00 13.01 C ATOM 601 OG SER A 38 17.050 4.725 5.732 1.00 42.13 O ATOM 0 H SER A 38 16.379 0.898 6.525 1.00 44.44 H new ATOM 0 HA SER A 38 16.904 3.339 8.092 1.00 2.22 H new ATOM 0 HB2 SER A 38 18.244 3.073 6.038 1.00 13.01 H new ATOM 0 HB3 SER A 38 16.801 2.784 5.086 1.00 13.01 H new ATOM 0 HG SER A 38 17.536 4.980 4.920 1.00 42.13 H new ATOM 607 N ASP A 39 14.792 4.673 7.323 1.00 34.32 N ATOM 608 CA ASP A 39 13.462 5.286 7.226 1.00 64.23 C ATOM 609 C ASP A 39 13.043 5.472 5.759 1.00 22.13 C ATOM 610 O ASP A 39 11.862 5.654 5.456 1.00 44.44 O ATOM 611 CB ASP A 39 13.447 6.624 7.969 1.00 41.23 C ATOM 612 CG ASP A 39 13.804 6.454 9.434 1.00 21.11 C ATOM 613 OD1 ASP A 39 12.904 6.121 10.233 1.00 50.25 O ATOM 614 OD2 ASP A 39 14.988 6.625 9.789 1.00 1.13 O ATOM 0 H ASP A 39 15.539 5.330 7.547 1.00 34.32 H new ATOM 0 HA ASP A 39 12.739 4.617 7.693 1.00 64.23 H new ATOM 0 HB2 ASP A 39 14.152 7.309 7.499 1.00 41.23 H new ATOM 0 HB3 ASP A 39 12.459 7.076 7.885 1.00 41.23 H new ATOM 619 N GLU A 40 14.023 5.425 4.854 1.00 22.53 N ATOM 620 CA GLU A 40 13.750 5.456 3.416 1.00 73.04 C ATOM 621 C GLU A 40 13.083 4.143 2.977 1.00 71.02 C ATOM 622 O GLU A 40 13.543 3.052 3.322 1.00 73.02 O ATOM 623 CB GLU A 40 15.044 5.700 2.627 1.00 34.13 C ATOM 624 CG GLU A 40 15.699 7.045 2.930 1.00 35.15 C ATOM 625 CD GLU A 40 16.967 7.284 2.124 1.00 20.43 C ATOM 626 OE1 GLU A 40 18.063 6.911 2.600 1.00 20.14 O ATOM 627 OE2 GLU A 40 16.874 7.853 1.015 1.00 64.21 O ATOM 0 H GLU A 40 15.013 5.365 5.092 1.00 22.53 H new ATOM 0 HA GLU A 40 13.066 6.279 3.206 1.00 73.04 H new ATOM 0 HB2 GLU A 40 15.752 4.902 2.850 1.00 34.13 H new ATOM 0 HB3 GLU A 40 14.826 5.643 1.561 1.00 34.13 H new ATOM 0 HG2 GLU A 40 14.987 7.844 2.723 1.00 35.15 H new ATOM 0 HG3 GLU A 40 15.936 7.096 3.993 1.00 35.15 H new ATOM 634 N ILE A 41 12.002 4.251 2.217 1.00 14.13 N ATOM 635 CA ILE A 41 11.144 3.100 1.928 1.00 2.43 C ATOM 636 C ILE A 41 11.253 2.652 0.461 1.00 31.25 C ATOM 637 O ILE A 41 11.474 3.472 -0.429 1.00 52.11 O ATOM 638 CB ILE A 41 9.666 3.450 2.242 1.00 43.23 C ATOM 639 CG1 ILE A 41 9.556 4.108 3.629 1.00 23.30 C ATOM 640 CG2 ILE A 41 8.780 2.205 2.158 1.00 15.23 C ATOM 641 CD1 ILE A 41 8.157 4.546 3.995 1.00 5.44 C ATOM 0 H ILE A 41 11.694 5.123 1.787 1.00 14.13 H new ATOM 0 HA ILE A 41 11.482 2.279 2.560 1.00 2.43 H new ATOM 0 HB ILE A 41 9.315 4.161 1.494 1.00 43.23 H new ATOM 0 HG12 ILE A 41 9.914 3.406 4.382 1.00 23.30 H new ATOM 0 HG13 ILE A 41 10.217 4.974 3.662 1.00 23.30 H new ATOM 0 HG21 ILE A 41 7.749 2.477 2.382 1.00 15.23 H new ATOM 0 HG22 ILE A 41 8.835 1.787 1.153 1.00 15.23 H new ATOM 0 HG23 ILE A 41 9.125 1.464 2.879 1.00 15.23 H new ATOM 0 HD11 ILE A 41 8.165 4.999 4.986 1.00 5.44 H new ATOM 0 HD12 ILE A 41 7.801 5.274 3.266 1.00 5.44 H new ATOM 0 HD13 ILE A 41 7.494 3.681 3.997 1.00 5.44 H new ATOM 653 N LYS A 42 11.111 1.349 0.214 1.00 53.45 N ATOM 654 CA LYS A 42 10.969 0.849 -1.157 1.00 2.41 C ATOM 655 C LYS A 42 9.557 1.169 -1.674 1.00 41.43 C ATOM 656 O LYS A 42 9.385 1.918 -2.639 1.00 35.03 O ATOM 657 CB LYS A 42 11.180 -0.679 -1.195 1.00 20.24 C ATOM 658 CG LYS A 42 12.577 -1.161 -0.800 1.00 61.14 C ATOM 659 CD LYS A 42 13.618 -0.857 -1.879 1.00 21.23 C ATOM 660 CE LYS A 42 14.834 -1.775 -1.772 1.00 22.53 C ATOM 661 NZ LYS A 42 15.572 -1.605 -0.494 1.00 24.40 N ATOM 0 H LYS A 42 11.091 0.627 0.935 1.00 53.45 H new ATOM 0 HA LYS A 42 11.718 1.331 -1.785 1.00 2.41 H new ATOM 0 HB2 LYS A 42 10.452 -1.145 -0.531 1.00 20.24 H new ATOM 0 HB3 LYS A 42 10.964 -1.033 -2.203 1.00 20.24 H new ATOM 0 HG2 LYS A 42 12.874 -0.684 0.134 1.00 61.14 H new ATOM 0 HG3 LYS A 42 12.550 -2.235 -0.615 1.00 61.14 H new ATOM 0 HD2 LYS A 42 13.164 -0.969 -2.863 1.00 21.23 H new ATOM 0 HD3 LYS A 42 13.938 0.181 -1.792 1.00 21.23 H new ATOM 0 HE2 LYS A 42 14.510 -2.812 -1.864 1.00 22.53 H new ATOM 0 HE3 LYS A 42 15.508 -1.576 -2.605 1.00 22.53 H new ATOM 0 HZ1 LYS A 42 15.936 -2.527 -0.178 1.00 24.40 H new ATOM 0 HZ2 LYS A 42 16.367 -0.950 -0.637 1.00 24.40 H new ATOM 0 HZ3 LYS A 42 14.931 -1.220 0.229 1.00 24.40 H new ATOM 675 N GLU A 43 8.552 0.615 -0.981 1.00 43.54 N ATOM 676 CA GLU A 43 7.129 0.827 -1.296 1.00 61.24 C ATOM 677 C GLU A 43 6.269 0.604 -0.033 1.00 62.53 C ATOM 678 O GLU A 43 6.753 0.070 0.967 1.00 30.24 O ATOM 679 CB GLU A 43 6.666 -0.125 -2.420 1.00 63.35 C ATOM 680 CG GLU A 43 7.506 -0.033 -3.692 1.00 55.25 C ATOM 681 CD GLU A 43 6.881 -0.719 -4.891 1.00 34.04 C ATOM 682 OE1 GLU A 43 6.039 -0.089 -5.561 1.00 42.25 O ATOM 683 OE2 GLU A 43 7.249 -1.879 -5.185 1.00 1.42 O ATOM 0 H GLU A 43 8.703 0.002 -0.180 1.00 43.54 H new ATOM 0 HA GLU A 43 7.005 1.854 -1.641 1.00 61.24 H new ATOM 0 HB2 GLU A 43 6.695 -1.150 -2.050 1.00 63.35 H new ATOM 0 HB3 GLU A 43 5.627 0.096 -2.665 1.00 63.35 H new ATOM 0 HG2 GLU A 43 7.671 1.017 -3.932 1.00 55.25 H new ATOM 0 HG3 GLU A 43 8.485 -0.474 -3.502 1.00 55.25 H new ATOM 690 N ARG A 44 4.999 1.005 -0.074 1.00 64.12 N ATOM 691 CA ARG A 44 4.102 0.860 1.089 1.00 73.32 C ATOM 692 C ARG A 44 2.846 0.037 0.754 1.00 71.25 C ATOM 693 O ARG A 44 2.189 0.263 -0.261 1.00 73.14 O ATOM 694 CB ARG A 44 3.713 2.241 1.642 1.00 23.02 C ATOM 695 CG ARG A 44 3.380 3.274 0.569 1.00 33.12 C ATOM 696 CD ARG A 44 3.034 4.632 1.172 1.00 62.34 C ATOM 697 NE ARG A 44 4.030 5.067 2.151 1.00 44.23 N ATOM 698 CZ ARG A 44 4.864 6.054 1.973 1.00 64.14 C ATOM 699 NH1 ARG A 44 4.860 6.738 0.870 1.00 5.12 N ATOM 700 NH2 ARG A 44 5.693 6.357 2.914 1.00 33.55 N ATOM 0 H ARG A 44 4.563 1.431 -0.892 1.00 64.12 H new ATOM 0 HA ARG A 44 4.650 0.312 1.856 1.00 73.32 H new ATOM 0 HB2 ARG A 44 2.852 2.127 2.300 1.00 23.02 H new ATOM 0 HB3 ARG A 44 4.533 2.619 2.253 1.00 23.02 H new ATOM 0 HG2 ARG A 44 4.229 3.383 -0.106 1.00 33.12 H new ATOM 0 HG3 ARG A 44 2.541 2.918 -0.029 1.00 33.12 H new ATOM 0 HD2 ARG A 44 2.960 5.373 0.377 1.00 62.34 H new ATOM 0 HD3 ARG A 44 2.056 4.578 1.650 1.00 62.34 H new ATOM 0 HE ARG A 44 4.076 4.562 3.036 1.00 44.23 H new ATOM 0 HH11 ARG A 44 4.199 6.506 0.129 1.00 5.12 H new ATOM 0 HH12 ARG A 44 5.518 7.507 0.745 1.00 5.12 H new ATOM 0 HH21 ARG A 44 5.691 5.827 3.785 1.00 33.55 H new ATOM 0 HH22 ARG A 44 6.350 7.127 2.787 1.00 33.55 H new ATOM 714 N THR A 45 2.517 -0.909 1.637 1.00 71.11 N ATOM 715 CA THR A 45 1.408 -1.859 1.422 1.00 23.41 C ATOM 716 C THR A 45 0.191 -1.558 2.321 1.00 45.54 C ATOM 717 O THR A 45 0.309 -1.499 3.548 1.00 20.55 O ATOM 718 CB THR A 45 1.871 -3.317 1.700 1.00 63.41 C ATOM 719 OG1 THR A 45 2.977 -3.662 0.846 1.00 74.15 O ATOM 720 CG2 THR A 45 0.731 -4.315 1.483 1.00 25.44 C ATOM 0 H THR A 45 3.007 -1.043 2.521 1.00 71.11 H new ATOM 0 HA THR A 45 1.109 -1.745 0.380 1.00 23.41 H new ATOM 0 HB THR A 45 2.184 -3.369 2.743 1.00 63.41 H new ATOM 0 HG1 THR A 45 2.695 -3.612 -0.091 1.00 74.15 H new ATOM 0 HG21 THR A 45 1.088 -5.325 1.686 1.00 25.44 H new ATOM 0 HG22 THR A 45 -0.092 -4.079 2.157 1.00 25.44 H new ATOM 0 HG23 THR A 45 0.384 -4.253 0.451 1.00 25.44 H new ATOM 728 N TYR A 46 -0.977 -1.388 1.701 1.00 1.42 N ATOM 729 CA TYR A 46 -2.236 -1.164 2.421 1.00 21.10 C ATOM 730 C TYR A 46 -3.176 -2.378 2.288 1.00 53.54 C ATOM 731 O TYR A 46 -3.112 -3.126 1.309 1.00 50.12 O ATOM 732 CB TYR A 46 -2.957 0.076 1.869 1.00 42.50 C ATOM 733 CG TYR A 46 -2.149 1.360 1.928 1.00 74.24 C ATOM 734 CD1 TYR A 46 -1.304 1.724 0.884 1.00 2.41 C ATOM 735 CD2 TYR A 46 -2.246 2.218 3.020 1.00 52.33 C ATOM 736 CE1 TYR A 46 -0.581 2.898 0.929 1.00 72.32 C ATOM 737 CE2 TYR A 46 -1.525 3.397 3.067 1.00 25.10 C ATOM 738 CZ TYR A 46 -0.695 3.731 2.018 1.00 60.11 C ATOM 739 OH TYR A 46 0.019 4.905 2.060 1.00 44.33 O ATOM 0 H TYR A 46 -1.080 -1.401 0.686 1.00 1.42 H new ATOM 0 HA TYR A 46 -1.988 -1.014 3.472 1.00 21.10 H new ATOM 0 HB2 TYR A 46 -3.236 -0.114 0.833 1.00 42.50 H new ATOM 0 HB3 TYR A 46 -3.882 0.219 2.427 1.00 42.50 H new ATOM 0 HD1 TYR A 46 -1.213 1.077 0.024 1.00 2.41 H new ATOM 0 HD2 TYR A 46 -2.895 1.959 3.844 1.00 52.33 H new ATOM 0 HE1 TYR A 46 0.073 3.163 0.111 1.00 72.32 H new ATOM 0 HE2 TYR A 46 -1.612 4.053 3.921 1.00 25.10 H new ATOM 0 HH TYR A 46 -0.564 5.652 1.808 1.00 44.33 H new ATOM 749 N ASP A 47 -4.055 -2.554 3.271 1.00 3.30 N ATOM 750 CA ASP A 47 -5.062 -3.622 3.242 1.00 1.13 C ATOM 751 C ASP A 47 -6.419 -3.090 2.743 1.00 72.13 C ATOM 752 O ASP A 47 -7.053 -2.258 3.402 1.00 31.11 O ATOM 753 CB ASP A 47 -5.222 -4.231 4.644 1.00 12.31 C ATOM 754 CG ASP A 47 -3.989 -4.996 5.085 1.00 0.34 C ATOM 755 OD1 ASP A 47 -3.512 -5.851 4.315 1.00 41.34 O ATOM 756 OD2 ASP A 47 -3.499 -4.764 6.208 1.00 44.54 O ATOM 0 H ASP A 47 -4.093 -1.968 4.105 1.00 3.30 H new ATOM 0 HA ASP A 47 -4.722 -4.392 2.550 1.00 1.13 H new ATOM 0 HB2 ASP A 47 -5.429 -3.437 5.361 1.00 12.31 H new ATOM 0 HB3 ASP A 47 -6.083 -4.899 4.651 1.00 12.31 H new ATOM 761 N LEU A 48 -6.861 -3.569 1.577 1.00 54.32 N ATOM 762 CA LEU A 48 -8.144 -3.140 1.005 1.00 22.14 C ATOM 763 C LEU A 48 -9.158 -4.294 0.950 1.00 33.14 C ATOM 764 O LEU A 48 -8.850 -5.404 0.508 1.00 10.05 O ATOM 765 CB LEU A 48 -7.946 -2.539 -0.396 1.00 73.50 C ATOM 766 CG LEU A 48 -7.044 -1.290 -0.460 1.00 13.14 C ATOM 767 CD1 LEU A 48 -7.068 -0.677 -1.858 1.00 3.50 C ATOM 768 CD2 LEU A 48 -7.461 -0.255 0.584 1.00 41.45 C ATOM 0 H LEU A 48 -6.354 -4.250 1.012 1.00 54.32 H new ATOM 0 HA LEU A 48 -8.548 -2.371 1.663 1.00 22.14 H new ATOM 0 HB2 LEU A 48 -7.522 -3.306 -1.045 1.00 73.50 H new ATOM 0 HB3 LEU A 48 -8.924 -2.281 -0.803 1.00 73.50 H new ATOM 0 HG LEU A 48 -6.024 -1.604 -0.237 1.00 13.14 H new ATOM 0 HD11 LEU A 48 -6.425 0.203 -1.881 1.00 3.50 H new ATOM 0 HD12 LEU A 48 -6.708 -1.408 -2.582 1.00 3.50 H new ATOM 0 HD13 LEU A 48 -8.088 -0.387 -2.111 1.00 3.50 H new ATOM 0 HD21 LEU A 48 -6.807 0.615 0.515 1.00 41.45 H new ATOM 0 HD22 LEU A 48 -8.491 0.050 0.402 1.00 41.45 H new ATOM 0 HD23 LEU A 48 -7.382 -0.691 1.580 1.00 41.45 H new ATOM 780 N LYS A 49 -10.372 -4.013 1.412 1.00 33.41 N ATOM 781 CA LYS A 49 -11.469 -4.984 1.407 1.00 73.20 C ATOM 782 C LYS A 49 -12.326 -4.847 0.137 1.00 14.33 C ATOM 783 O LYS A 49 -12.428 -3.765 -0.443 1.00 61.21 O ATOM 784 CB LYS A 49 -12.343 -4.782 2.658 1.00 50.42 C ATOM 785 CG LYS A 49 -11.583 -4.934 3.973 1.00 1.11 C ATOM 786 CD LYS A 49 -11.132 -6.377 4.230 1.00 43.10 C ATOM 787 CE LYS A 49 -12.255 -7.254 4.792 1.00 35.43 C ATOM 788 NZ LYS A 49 -13.386 -7.427 3.842 1.00 21.23 N ATOM 0 H LYS A 49 -10.627 -3.105 1.802 1.00 33.41 H new ATOM 0 HA LYS A 49 -11.042 -5.987 1.418 1.00 73.20 H new ATOM 0 HB2 LYS A 49 -12.790 -3.789 2.621 1.00 50.42 H new ATOM 0 HB3 LYS A 49 -13.162 -5.501 2.637 1.00 50.42 H new ATOM 0 HG2 LYS A 49 -10.710 -4.281 3.962 1.00 1.11 H new ATOM 0 HG3 LYS A 49 -12.218 -4.604 4.795 1.00 1.11 H new ATOM 0 HD2 LYS A 49 -10.768 -6.811 3.299 1.00 43.10 H new ATOM 0 HD3 LYS A 49 -10.295 -6.373 4.928 1.00 43.10 H new ATOM 0 HE2 LYS A 49 -11.850 -8.233 5.049 1.00 35.43 H new ATOM 0 HE3 LYS A 49 -12.628 -6.811 5.715 1.00 35.43 H new ATOM 0 HZ1 LYS A 49 -13.846 -8.344 4.013 1.00 21.23 H new ATOM 0 HZ2 LYS A 49 -14.077 -6.662 3.981 1.00 21.23 H new ATOM 0 HZ3 LYS A 49 -13.028 -7.396 2.866 1.00 21.23 H new ATOM 802 N SER A 50 -12.932 -5.949 -0.299 1.00 31.41 N ATOM 803 CA SER A 50 -13.783 -5.946 -1.500 1.00 51.13 C ATOM 804 C SER A 50 -15.243 -6.270 -1.164 1.00 54.31 C ATOM 805 O SER A 50 -15.550 -7.349 -0.650 1.00 41.24 O ATOM 806 CB SER A 50 -13.264 -6.954 -2.532 1.00 70.04 C ATOM 807 OG SER A 50 -11.948 -6.634 -2.963 1.00 21.43 O ATOM 0 H SER A 50 -12.853 -6.858 0.157 1.00 31.41 H new ATOM 0 HA SER A 50 -13.742 -4.940 -1.918 1.00 51.13 H new ATOM 0 HB2 SER A 50 -13.272 -7.955 -2.100 1.00 70.04 H new ATOM 0 HB3 SER A 50 -13.934 -6.973 -3.392 1.00 70.04 H new ATOM 0 HG SER A 50 -11.648 -7.298 -3.619 1.00 21.43 H new ATOM 866 N ARG A 55 -13.612 -11.324 -1.314 1.00 75.22 N ATOM 867 CA ARG A 55 -12.157 -11.421 -1.519 1.00 61.12 C ATOM 868 C ARG A 55 -11.426 -10.234 -0.871 1.00 62.40 C ATOM 869 O ARG A 55 -12.029 -9.202 -0.572 1.00 3.32 O ATOM 870 CB ARG A 55 -11.798 -11.474 -3.018 1.00 33.54 C ATOM 871 CG ARG A 55 -11.907 -12.859 -3.659 1.00 71.43 C ATOM 872 CD ARG A 55 -11.279 -12.869 -5.052 1.00 63.22 C ATOM 873 NE ARG A 55 -11.230 -14.207 -5.641 1.00 54.34 N ATOM 874 CZ ARG A 55 -10.156 -14.742 -6.162 1.00 21.41 C ATOM 875 NH1 ARG A 55 -9.023 -14.116 -6.143 1.00 11.43 N ATOM 876 NH2 ARG A 55 -10.215 -15.913 -6.703 1.00 65.43 N ATOM 0 HA ARG A 55 -11.834 -12.348 -1.045 1.00 61.12 H new ATOM 0 HB2 ARG A 55 -12.451 -10.788 -3.557 1.00 33.54 H new ATOM 0 HB3 ARG A 55 -10.778 -11.110 -3.145 1.00 33.54 H new ATOM 0 HG2 ARG A 55 -11.411 -13.596 -3.027 1.00 71.43 H new ATOM 0 HG3 ARG A 55 -12.955 -13.151 -3.727 1.00 71.43 H new ATOM 0 HD2 ARG A 55 -11.848 -12.209 -5.707 1.00 63.22 H new ATOM 0 HD3 ARG A 55 -10.268 -12.466 -4.993 1.00 63.22 H new ATOM 0 HE ARG A 55 -12.088 -14.758 -5.646 1.00 54.34 H new ATOM 0 HH11 ARG A 55 -8.958 -13.191 -5.717 1.00 11.43 H new ATOM 0 HH12 ARG A 55 -8.195 -14.547 -6.554 1.00 11.43 H new ATOM 0 HH21 ARG A 55 -11.099 -16.421 -6.724 1.00 65.43 H new ATOM 0 HH22 ARG A 55 -9.377 -16.330 -7.109 1.00 65.43 H new ATOM 890 N MET A 56 -10.124 -10.395 -0.665 1.00 65.11 N ATOM 891 CA MET A 56 -9.282 -9.325 -0.124 1.00 44.34 C ATOM 892 C MET A 56 -8.046 -9.102 -1.012 1.00 30.32 C ATOM 893 O MET A 56 -7.545 -10.034 -1.640 1.00 63.54 O ATOM 894 CB MET A 56 -8.846 -9.665 1.309 1.00 43.13 C ATOM 895 CG MET A 56 -7.920 -8.628 1.923 1.00 40.23 C ATOM 896 SD MET A 56 -7.405 -9.050 3.595 1.00 34.10 S ATOM 897 CE MET A 56 -6.184 -7.775 3.892 1.00 4.14 C ATOM 0 H MET A 56 -9.622 -11.260 -0.865 1.00 65.11 H new ATOM 0 HA MET A 56 -9.867 -8.405 -0.108 1.00 44.34 H new ATOM 0 HB2 MET A 56 -9.732 -9.766 1.936 1.00 43.13 H new ATOM 0 HB3 MET A 56 -8.345 -10.633 1.308 1.00 43.13 H new ATOM 0 HG2 MET A 56 -7.037 -8.519 1.293 1.00 40.23 H new ATOM 0 HG3 MET A 56 -8.424 -7.661 1.937 1.00 40.23 H new ATOM 0 HE1 MET A 56 -6.066 -7.627 4.965 1.00 4.14 H new ATOM 0 HE2 MET A 56 -5.230 -8.077 3.461 1.00 4.14 H new ATOM 0 HE3 MET A 56 -6.512 -6.843 3.431 1.00 4.14 H new ATOM 907 N ILE A 57 -7.568 -7.861 -1.065 1.00 23.15 N ATOM 908 CA ILE A 57 -6.381 -7.517 -1.858 1.00 4.23 C ATOM 909 C ILE A 57 -5.427 -6.603 -1.068 1.00 13.41 C ATOM 910 O ILE A 57 -5.860 -5.658 -0.403 1.00 23.23 O ATOM 911 CB ILE A 57 -6.772 -6.817 -3.188 1.00 23.10 C ATOM 912 CG1 ILE A 57 -7.602 -5.549 -2.914 1.00 73.35 C ATOM 913 CG2 ILE A 57 -7.539 -7.779 -4.099 1.00 42.01 C ATOM 914 CD1 ILE A 57 -7.999 -4.793 -4.165 1.00 5.11 C ATOM 0 H ILE A 57 -7.983 -7.072 -0.568 1.00 23.15 H new ATOM 0 HA ILE A 57 -5.872 -8.454 -2.086 1.00 4.23 H new ATOM 0 HB ILE A 57 -5.856 -6.520 -3.699 1.00 23.10 H new ATOM 0 HG12 ILE A 57 -8.503 -5.828 -2.368 1.00 73.35 H new ATOM 0 HG13 ILE A 57 -7.030 -4.885 -2.266 1.00 73.35 H new ATOM 0 HG21 ILE A 57 -7.804 -7.269 -5.025 1.00 42.01 H new ATOM 0 HG22 ILE A 57 -6.913 -8.642 -4.326 1.00 42.01 H new ATOM 0 HG23 ILE A 57 -8.447 -8.111 -3.595 1.00 42.01 H new ATOM 0 HD11 ILE A 57 -8.581 -3.913 -3.889 1.00 5.11 H new ATOM 0 HD12 ILE A 57 -7.103 -4.482 -4.702 1.00 5.11 H new ATOM 0 HD13 ILE A 57 -8.600 -5.439 -4.805 1.00 5.11 H new ATOM 926 N GLN A 58 -4.130 -6.904 -1.123 1.00 1.04 N ATOM 927 CA GLN A 58 -3.119 -6.029 -0.513 1.00 32.34 C ATOM 928 C GLN A 58 -2.487 -5.115 -1.575 1.00 52.41 C ATOM 929 O GLN A 58 -1.677 -5.553 -2.389 1.00 25.33 O ATOM 930 CB GLN A 58 -2.039 -6.860 0.194 1.00 1.24 C ATOM 931 CG GLN A 58 -2.547 -7.605 1.423 1.00 4.44 C ATOM 932 CD GLN A 58 -1.469 -8.448 2.083 1.00 24.35 C ATOM 933 OE1 GLN A 58 -0.733 -7.862 3.006 1.00 50.33 O flip ATOM 934 NE2 GLN A 58 -1.303 -9.617 1.768 1.00 2.04 N flip ATOM 0 H GLN A 58 -3.754 -7.736 -1.577 1.00 1.04 H new ATOM 0 HA GLN A 58 -3.611 -5.404 0.232 1.00 32.34 H new ATOM 0 HB2 GLN A 58 -1.627 -7.581 -0.512 1.00 1.24 H new ATOM 0 HB3 GLN A 58 -1.222 -6.202 0.491 1.00 1.24 H new ATOM 0 HG2 GLN A 58 -2.933 -6.886 2.145 1.00 4.44 H new ATOM 0 HG3 GLN A 58 -3.380 -8.247 1.136 1.00 4.44 H new ATOM 0 HE21 GLN A 58 -1.890 -10.040 1.049 1.00 2.04 H new ATOM 0 HE22 GLN A 58 -0.577 -10.170 2.224 1.00 2.04 H new ATOM 943 N VAL A 59 -2.862 -3.842 -1.555 1.00 73.33 N ATOM 944 CA VAL A 59 -2.421 -2.893 -2.581 1.00 62.01 C ATOM 945 C VAL A 59 -1.171 -2.124 -2.142 1.00 60.24 C ATOM 946 O VAL A 59 -1.124 -1.571 -1.048 1.00 44.33 O ATOM 947 CB VAL A 59 -3.549 -1.895 -2.939 1.00 61.15 C ATOM 948 CG1 VAL A 59 -3.045 -0.805 -3.886 1.00 11.22 C ATOM 949 CG2 VAL A 59 -4.734 -2.641 -3.552 1.00 5.20 C ATOM 0 H VAL A 59 -3.470 -3.439 -0.842 1.00 73.33 H new ATOM 0 HA VAL A 59 -2.171 -3.478 -3.466 1.00 62.01 H new ATOM 0 HB VAL A 59 -3.878 -1.407 -2.022 1.00 61.15 H new ATOM 0 HG11 VAL A 59 -3.860 -0.120 -4.119 1.00 11.22 H new ATOM 0 HG12 VAL A 59 -2.234 -0.255 -3.409 1.00 11.22 H new ATOM 0 HG13 VAL A 59 -2.681 -1.262 -4.806 1.00 11.22 H new ATOM 0 HG21 VAL A 59 -5.522 -1.930 -3.800 1.00 5.20 H new ATOM 0 HG22 VAL A 59 -4.411 -3.156 -4.457 1.00 5.20 H new ATOM 0 HG23 VAL A 59 -5.115 -3.370 -2.836 1.00 5.20 H new ATOM 959 N SER A 60 -0.159 -2.090 -3.004 1.00 12.14 N ATOM 960 CA SER A 60 1.112 -1.425 -2.682 1.00 22.13 C ATOM 961 C SER A 60 1.395 -0.268 -3.647 1.00 35.43 C ATOM 962 O SER A 60 1.109 -0.355 -4.839 1.00 73.55 O ATOM 963 CB SER A 60 2.268 -2.434 -2.731 1.00 73.51 C ATOM 964 OG SER A 60 2.039 -3.527 -1.849 1.00 61.34 O ATOM 0 H SER A 60 -0.188 -2.513 -3.932 1.00 12.14 H new ATOM 0 HA SER A 60 1.028 -1.019 -1.674 1.00 22.13 H new ATOM 0 HB2 SER A 60 2.387 -2.805 -3.749 1.00 73.51 H new ATOM 0 HB3 SER A 60 3.200 -1.936 -2.462 1.00 73.51 H new ATOM 0 HG SER A 60 2.791 -4.154 -1.903 1.00 61.34 H new ATOM 970 N ILE A 61 1.949 0.821 -3.128 1.00 25.32 N ATOM 971 CA ILE A 61 2.316 1.977 -3.956 1.00 44.23 C ATOM 972 C ILE A 61 3.753 2.436 -3.653 1.00 3.22 C ATOM 973 O ILE A 61 4.245 2.254 -2.536 1.00 54.24 O ATOM 974 CB ILE A 61 1.335 3.166 -3.745 1.00 34.15 C ATOM 975 CG1 ILE A 61 1.280 3.569 -2.262 1.00 31.13 C ATOM 976 CG2 ILE A 61 -0.061 2.815 -4.263 1.00 65.43 C ATOM 977 CD1 ILE A 61 0.367 4.745 -1.977 1.00 72.30 C ATOM 0 H ILE A 61 2.157 0.934 -2.136 1.00 25.32 H new ATOM 0 HA ILE A 61 2.254 1.657 -4.996 1.00 44.23 H new ATOM 0 HB ILE A 61 1.705 4.018 -4.316 1.00 34.15 H new ATOM 0 HG12 ILE A 61 0.947 2.713 -1.675 1.00 31.13 H new ATOM 0 HG13 ILE A 61 2.287 3.814 -1.925 1.00 31.13 H new ATOM 0 HG21 ILE A 61 -0.731 3.660 -4.105 1.00 65.43 H new ATOM 0 HG22 ILE A 61 -0.008 2.588 -5.328 1.00 65.43 H new ATOM 0 HG23 ILE A 61 -0.441 1.946 -3.725 1.00 65.43 H new ATOM 0 HD11 ILE A 61 0.383 4.968 -0.910 1.00 72.30 H new ATOM 0 HD12 ILE A 61 0.711 5.616 -2.535 1.00 72.30 H new ATOM 0 HD13 ILE A 61 -0.650 4.498 -2.281 1.00 72.30 H new ATOM 989 N PRO A 62 4.451 3.028 -4.646 1.00 64.11 N ATOM 990 CA PRO A 62 5.834 3.511 -4.464 1.00 65.11 C ATOM 991 C PRO A 62 5.975 4.507 -3.294 1.00 61.04 C ATOM 992 O PRO A 62 5.071 5.304 -3.028 1.00 73.20 O ATOM 993 CB PRO A 62 6.168 4.188 -5.809 1.00 24.24 C ATOM 994 CG PRO A 62 4.856 4.376 -6.502 1.00 45.14 C ATOM 995 CD PRO A 62 3.967 3.263 -6.019 1.00 25.30 C ATOM 0 HA PRO A 62 6.511 2.696 -4.209 1.00 65.11 H new ATOM 0 HB2 PRO A 62 6.669 5.143 -5.653 1.00 24.24 H new ATOM 0 HB3 PRO A 62 6.840 3.569 -6.403 1.00 24.24 H new ATOM 0 HG2 PRO A 62 4.426 5.349 -6.265 1.00 45.14 H new ATOM 0 HG3 PRO A 62 4.978 4.336 -7.584 1.00 45.14 H new ATOM 0 HD2 PRO A 62 2.916 3.550 -6.033 1.00 25.30 H new ATOM 0 HD3 PRO A 62 4.062 2.372 -6.639 1.00 25.30 H new ATOM 1003 N ALA A 63 7.122 4.466 -2.614 1.00 31.31 N ATOM 1004 CA ALA A 63 7.369 5.306 -1.433 1.00 33.41 C ATOM 1005 C ALA A 63 7.197 6.807 -1.726 1.00 31.12 C ATOM 1006 O ALA A 63 6.854 7.591 -0.835 1.00 14.24 O ATOM 1007 CB ALA A 63 8.766 5.037 -0.891 1.00 43.25 C ATOM 0 H ALA A 63 7.902 3.856 -2.861 1.00 31.31 H new ATOM 0 HA ALA A 63 6.622 5.040 -0.686 1.00 33.41 H new ATOM 0 HB1 ALA A 63 8.943 5.662 -0.016 1.00 43.25 H new ATOM 0 HB2 ALA A 63 8.851 3.987 -0.610 1.00 43.25 H new ATOM 0 HB3 ALA A 63 9.505 5.269 -1.658 1.00 43.25 H new ATOM 1013 N SER A 64 7.441 7.202 -2.977 1.00 24.04 N ATOM 1014 CA SER A 64 7.303 8.605 -3.402 1.00 63.41 C ATOM 1015 C SER A 64 5.860 9.114 -3.255 1.00 3.04 C ATOM 1016 O SER A 64 5.632 10.315 -3.088 1.00 20.42 O ATOM 1017 CB SER A 64 7.760 8.772 -4.859 1.00 35.22 C ATOM 1018 OG SER A 64 9.130 8.426 -5.014 1.00 5.13 O ATOM 0 H SER A 64 7.737 6.570 -3.720 1.00 24.04 H new ATOM 0 HA SER A 64 7.939 9.201 -2.747 1.00 63.41 H new ATOM 0 HB2 SER A 64 7.149 8.145 -5.508 1.00 35.22 H new ATOM 0 HB3 SER A 64 7.605 9.804 -5.175 1.00 35.22 H new ATOM 0 HG SER A 64 9.392 8.540 -5.951 1.00 5.13 H new ATOM 1024 N VAL A 65 4.891 8.202 -3.319 1.00 11.24 N ATOM 1025 CA VAL A 65 3.473 8.564 -3.174 1.00 52.00 C ATOM 1026 C VAL A 65 3.103 8.767 -1.689 1.00 42.24 C ATOM 1027 O VAL A 65 3.314 7.873 -0.865 1.00 20.41 O ATOM 1028 CB VAL A 65 2.551 7.479 -3.794 1.00 21.11 C ATOM 1029 CG1 VAL A 65 1.079 7.883 -3.695 1.00 41.04 C ATOM 1030 CG2 VAL A 65 2.941 7.206 -5.245 1.00 43.42 C ATOM 0 H VAL A 65 5.057 7.207 -3.470 1.00 11.24 H new ATOM 0 HA VAL A 65 3.322 9.502 -3.709 1.00 52.00 H new ATOM 0 HB VAL A 65 2.684 6.560 -3.224 1.00 21.11 H new ATOM 0 HG11 VAL A 65 0.457 7.104 -4.137 1.00 41.04 H new ATOM 0 HG12 VAL A 65 0.807 8.013 -2.648 1.00 41.04 H new ATOM 0 HG13 VAL A 65 0.922 8.820 -4.230 1.00 41.04 H new ATOM 0 HG21 VAL A 65 2.283 6.443 -5.661 1.00 43.42 H new ATOM 0 HG22 VAL A 65 2.846 8.123 -5.826 1.00 43.42 H new ATOM 0 HG23 VAL A 65 3.973 6.857 -5.285 1.00 43.42 H new ATOM 1040 N PRO A 66 2.540 9.943 -1.330 1.00 0.53 N ATOM 1041 CA PRO A 66 2.248 10.299 0.078 1.00 24.30 C ATOM 1042 C PRO A 66 1.188 9.404 0.756 1.00 64.45 C ATOM 1043 O PRO A 66 0.394 8.731 0.092 1.00 73.20 O ATOM 1044 CB PRO A 66 1.746 11.751 -0.022 1.00 71.22 C ATOM 1045 CG PRO A 66 1.246 11.888 -1.420 1.00 72.30 C ATOM 1046 CD PRO A 66 2.145 11.023 -2.262 1.00 23.05 C ATOM 0 HA PRO A 66 3.131 10.166 0.702 1.00 24.30 H new ATOM 0 HB2 PRO A 66 0.955 11.946 0.702 1.00 71.22 H new ATOM 0 HB3 PRO A 66 2.547 12.461 0.183 1.00 71.22 H new ATOM 0 HG2 PRO A 66 0.208 11.565 -1.498 1.00 72.30 H new ATOM 0 HG3 PRO A 66 1.282 12.927 -1.749 1.00 72.30 H new ATOM 0 HD2 PRO A 66 1.625 10.631 -3.136 1.00 23.05 H new ATOM 0 HD3 PRO A 66 3.010 11.576 -2.628 1.00 23.05 H new ATOM 1054 N LEU A 67 1.174 9.428 2.094 1.00 51.33 N ATOM 1055 CA LEU A 67 0.247 8.615 2.888 1.00 24.24 C ATOM 1056 C LEU A 67 -1.210 9.088 2.703 1.00 73.04 C ATOM 1057 O LEU A 67 -1.484 10.288 2.675 1.00 4.14 O ATOM 1058 CB LEU A 67 0.654 8.679 4.369 1.00 63.50 C ATOM 1059 CG LEU A 67 -0.158 7.790 5.324 1.00 4.21 C ATOM 1060 CD1 LEU A 67 -0.072 6.323 4.913 1.00 3.11 C ATOM 1061 CD2 LEU A 67 0.325 7.976 6.758 1.00 22.23 C ATOM 0 H LEU A 67 1.800 10.007 2.653 1.00 51.33 H new ATOM 0 HA LEU A 67 0.301 7.583 2.542 1.00 24.24 H new ATOM 0 HB2 LEU A 67 1.705 8.402 4.450 1.00 63.50 H new ATOM 0 HB3 LEU A 67 0.570 9.712 4.705 1.00 63.50 H new ATOM 0 HG LEU A 67 -1.204 8.093 5.266 1.00 4.21 H new ATOM 0 HD11 LEU A 67 -0.655 5.716 5.606 1.00 3.11 H new ATOM 0 HD12 LEU A 67 -0.468 6.204 3.904 1.00 3.11 H new ATOM 0 HD13 LEU A 67 0.969 5.999 4.935 1.00 3.11 H new ATOM 0 HD21 LEU A 67 -0.259 7.340 7.424 1.00 22.23 H new ATOM 0 HD22 LEU A 67 1.378 7.702 6.826 1.00 22.23 H new ATOM 0 HD23 LEU A 67 0.202 9.019 7.051 1.00 22.23 H new ATOM 1073 N LYS A 68 -2.134 8.136 2.577 1.00 0.40 N ATOM 1074 CA LYS A 68 -3.540 8.448 2.259 1.00 70.15 C ATOM 1075 C LYS A 68 -4.364 8.871 3.492 1.00 33.45 C ATOM 1076 O LYS A 68 -5.073 9.876 3.444 1.00 53.44 O ATOM 1077 CB LYS A 68 -4.198 7.251 1.547 1.00 70.01 C ATOM 1078 CG LYS A 68 -3.941 7.215 0.039 1.00 74.42 C ATOM 1079 CD LYS A 68 -2.452 7.266 -0.307 1.00 2.04 C ATOM 1080 CE LYS A 68 -2.216 7.420 -1.805 1.00 72.13 C ATOM 1081 NZ LYS A 68 -2.870 8.637 -2.350 1.00 2.33 N ATOM 0 H LYS A 68 -1.941 7.141 2.689 1.00 0.40 H new ATOM 0 HA LYS A 68 -3.530 9.310 1.592 1.00 70.15 H new ATOM 0 HB2 LYS A 68 -3.828 6.327 1.992 1.00 70.01 H new ATOM 0 HB3 LYS A 68 -5.273 7.281 1.723 1.00 70.01 H new ATOM 0 HG2 LYS A 68 -4.376 6.307 -0.378 1.00 74.42 H new ATOM 0 HG3 LYS A 68 -4.448 8.057 -0.432 1.00 74.42 H new ATOM 0 HD2 LYS A 68 -1.986 8.098 0.220 1.00 2.04 H new ATOM 0 HD3 LYS A 68 -1.967 6.355 0.044 1.00 2.04 H new ATOM 0 HE2 LYS A 68 -1.145 7.466 -2.000 1.00 72.13 H new ATOM 0 HE3 LYS A 68 -2.597 6.541 -2.324 1.00 72.13 H new ATOM 0 HZ1 LYS A 68 -2.450 8.874 -3.271 1.00 2.33 H new ATOM 0 HZ2 LYS A 68 -3.888 8.460 -2.469 1.00 2.33 H new ATOM 0 HZ3 LYS A 68 -2.731 9.430 -1.692 1.00 2.33 H new ATOM 1095 N GLU A 69 -4.286 8.096 4.581 1.00 35.31 N ATOM 1096 CA GLU A 69 -5.000 8.424 5.833 1.00 11.34 C ATOM 1097 C GLU A 69 -6.536 8.408 5.669 1.00 32.20 C ATOM 1098 O GLU A 69 -7.262 8.994 6.477 1.00 71.13 O ATOM 1099 CB GLU A 69 -4.534 9.792 6.363 1.00 4.02 C ATOM 1100 CG GLU A 69 -3.068 9.827 6.789 1.00 70.11 C ATOM 1101 CD GLU A 69 -2.817 9.096 8.099 1.00 50.42 C ATOM 1102 OE1 GLU A 69 -2.858 7.845 8.111 1.00 65.34 O ATOM 1103 OE2 GLU A 69 -2.575 9.771 9.125 1.00 73.13 O ATOM 0 H GLU A 69 -3.738 7.237 4.626 1.00 35.31 H new ATOM 0 HA GLU A 69 -4.753 7.646 6.555 1.00 11.34 H new ATOM 0 HB2 GLU A 69 -4.695 10.544 5.590 1.00 4.02 H new ATOM 0 HB3 GLU A 69 -5.156 10.071 7.214 1.00 4.02 H new ATOM 0 HG2 GLU A 69 -2.456 9.380 6.006 1.00 70.11 H new ATOM 0 HG3 GLU A 69 -2.748 10.864 6.890 1.00 70.11 H new ATOM 1110 N PHE A 70 -7.026 7.707 4.647 1.00 53.13 N ATOM 1111 CA PHE A 70 -8.473 7.606 4.403 1.00 21.53 C ATOM 1112 C PHE A 70 -9.197 6.866 5.544 1.00 10.44 C ATOM 1113 O PHE A 70 -8.580 6.128 6.314 1.00 54.34 O ATOM 1114 CB PHE A 70 -8.752 6.910 3.060 1.00 0.43 C ATOM 1115 CG PHE A 70 -8.266 7.681 1.853 1.00 31.13 C ATOM 1116 CD1 PHE A 70 -8.269 9.070 1.847 1.00 45.23 C ATOM 1117 CD2 PHE A 70 -7.817 7.015 0.720 1.00 51.31 C ATOM 1118 CE1 PHE A 70 -7.834 9.776 0.742 1.00 45.44 C ATOM 1119 CE2 PHE A 70 -7.384 7.716 -0.391 1.00 61.22 C ATOM 1120 CZ PHE A 70 -7.392 9.100 -0.379 1.00 2.40 C ATOM 0 H PHE A 70 -6.449 7.201 3.975 1.00 53.13 H new ATOM 0 HA PHE A 70 -8.864 8.623 4.364 1.00 21.53 H new ATOM 0 HB2 PHE A 70 -8.278 5.929 3.066 1.00 0.43 H new ATOM 0 HB3 PHE A 70 -9.825 6.745 2.964 1.00 0.43 H new ATOM 0 HD1 PHE A 70 -8.616 9.606 2.718 1.00 45.23 H new ATOM 0 HD2 PHE A 70 -7.806 5.935 0.706 1.00 51.31 H new ATOM 0 HE1 PHE A 70 -7.839 10.856 0.754 1.00 45.44 H new ATOM 0 HE2 PHE A 70 -7.040 7.184 -1.266 1.00 61.22 H new ATOM 0 HZ PHE A 70 -7.053 9.651 -1.244 1.00 2.40 H new ATOM 1130 N ASP A 71 -10.507 7.081 5.644 1.00 53.31 N ATOM 1131 CA ASP A 71 -11.322 6.487 6.711 1.00 71.00 C ATOM 1132 C ASP A 71 -11.448 4.958 6.575 1.00 12.13 C ATOM 1133 O ASP A 71 -11.346 4.399 5.479 1.00 11.12 O ATOM 1134 CB ASP A 71 -12.722 7.112 6.701 1.00 42.03 C ATOM 1135 CG ASP A 71 -12.692 8.616 6.891 1.00 72.11 C ATOM 1136 OD1 ASP A 71 -12.402 9.338 5.915 1.00 11.41 O ATOM 1137 OD2 ASP A 71 -12.976 9.084 8.013 1.00 24.30 O ATOM 0 H ASP A 71 -11.034 7.666 4.995 1.00 53.31 H new ATOM 0 HA ASP A 71 -10.817 6.694 7.654 1.00 71.00 H new ATOM 0 HB2 ASP A 71 -13.213 6.879 5.756 1.00 42.03 H new ATOM 0 HB3 ASP A 71 -13.322 6.662 7.492 1.00 42.03 H new ATOM 1142 N TYR A 72 -11.680 4.295 7.705 1.00 13.22 N ATOM 1143 CA TYR A 72 -11.944 2.856 7.725 1.00 63.12 C ATOM 1144 C TYR A 72 -13.264 2.522 7.003 1.00 30.04 C ATOM 1145 O TYR A 72 -14.288 3.174 7.223 1.00 53.10 O ATOM 1146 CB TYR A 72 -11.987 2.363 9.181 1.00 62.20 C ATOM 1147 CG TYR A 72 -12.188 0.865 9.324 1.00 50.40 C ATOM 1148 CD1 TYR A 72 -11.285 -0.031 8.766 1.00 73.04 C ATOM 1149 CD2 TYR A 72 -13.281 0.348 10.014 1.00 51.05 C ATOM 1150 CE1 TYR A 72 -11.461 -1.393 8.885 1.00 31.44 C ATOM 1151 CE2 TYR A 72 -13.463 -1.016 10.140 1.00 44.13 C ATOM 1152 CZ TYR A 72 -12.552 -1.882 9.574 1.00 14.30 C ATOM 1153 OH TYR A 72 -12.730 -3.243 9.687 1.00 13.01 O ATOM 0 H TYR A 72 -11.691 4.734 8.626 1.00 13.22 H new ATOM 0 HA TYR A 72 -11.140 2.346 7.194 1.00 63.12 H new ATOM 0 HB2 TYR A 72 -11.057 2.642 9.675 1.00 62.20 H new ATOM 0 HB3 TYR A 72 -12.793 2.878 9.704 1.00 62.20 H new ATOM 0 HD1 TYR A 72 -10.428 0.347 8.228 1.00 73.04 H new ATOM 0 HD2 TYR A 72 -13.998 1.023 10.458 1.00 51.05 H new ATOM 0 HE1 TYR A 72 -10.749 -2.073 8.442 1.00 31.44 H new ATOM 0 HE2 TYR A 72 -14.315 -1.402 10.680 1.00 44.13 H new ATOM 0 HH TYR A 72 -13.544 -3.425 10.202 1.00 13.01 H new ATOM 1163 N ASN A 73 -13.225 1.505 6.141 1.00 42.52 N ATOM 1164 CA ASN A 73 -14.383 1.092 5.327 1.00 12.04 C ATOM 1165 C ASN A 73 -14.833 2.191 4.340 1.00 45.30 C ATOM 1166 O ASN A 73 -15.960 2.162 3.839 1.00 73.10 O ATOM 1167 CB ASN A 73 -15.567 0.676 6.218 1.00 0.30 C ATOM 1168 CG ASN A 73 -15.269 -0.546 7.068 1.00 40.13 C ATOM 1169 OD1 ASN A 73 -14.461 -1.396 6.704 1.00 60.34 O ATOM 1170 ND2 ASN A 73 -15.933 -0.657 8.203 1.00 63.33 N ATOM 0 H ASN A 73 -12.391 0.940 5.983 1.00 42.52 H new ATOM 0 HA ASN A 73 -14.055 0.233 4.742 1.00 12.04 H new ATOM 0 HB2 ASN A 73 -15.835 1.508 6.869 1.00 0.30 H new ATOM 0 HB3 ASN A 73 -16.434 0.472 5.589 1.00 0.30 H new ATOM 0 HD21 ASN A 73 -15.781 -1.466 8.805 1.00 63.33 H new ATOM 0 HD22 ASN A 73 -16.598 0.066 8.478 1.00 63.33 H new ATOM 1177 N ALA A 74 -13.951 3.145 4.048 1.00 41.12 N ATOM 1178 CA ALA A 74 -14.271 4.225 3.103 1.00 35.42 C ATOM 1179 C ALA A 74 -14.077 3.792 1.640 1.00 12.25 C ATOM 1180 O ALA A 74 -13.277 2.902 1.342 1.00 22.25 O ATOM 1181 CB ALA A 74 -13.423 5.455 3.401 1.00 50.21 C ATOM 0 H ALA A 74 -13.014 3.197 4.447 1.00 41.12 H new ATOM 0 HA ALA A 74 -15.325 4.469 3.235 1.00 35.42 H new ATOM 0 HB1 ALA A 74 -13.670 6.247 2.694 1.00 50.21 H new ATOM 0 HB2 ALA A 74 -13.624 5.799 4.416 1.00 50.21 H new ATOM 0 HB3 ALA A 74 -12.367 5.201 3.307 1.00 50.21 H new ATOM 1187 N ARG A 75 -14.816 4.437 0.738 1.00 2.22 N ATOM 1188 CA ARG A 75 -14.729 4.151 -0.699 1.00 4.43 C ATOM 1189 C ARG A 75 -13.407 4.639 -1.306 1.00 24.41 C ATOM 1190 O ARG A 75 -13.213 5.835 -1.528 1.00 14.43 O ATOM 1191 CB ARG A 75 -15.910 4.797 -1.442 1.00 5.43 C ATOM 1192 CG ARG A 75 -17.196 3.983 -1.392 1.00 3.32 C ATOM 1193 CD ARG A 75 -18.354 4.716 -2.060 1.00 33.21 C ATOM 1194 NE ARG A 75 -19.463 3.821 -2.364 1.00 32.34 N ATOM 1195 CZ ARG A 75 -20.391 3.477 -1.519 1.00 30.43 C ATOM 1196 NH1 ARG A 75 -20.404 3.945 -0.313 1.00 1.34 N ATOM 1197 NH2 ARG A 75 -21.315 2.659 -1.890 1.00 31.10 N ATOM 0 H ARG A 75 -15.487 5.167 0.977 1.00 2.22 H new ATOM 0 HA ARG A 75 -14.769 3.068 -0.815 1.00 4.43 H new ATOM 0 HB2 ARG A 75 -16.099 5.782 -1.015 1.00 5.43 H new ATOM 0 HB3 ARG A 75 -15.630 4.950 -2.484 1.00 5.43 H new ATOM 0 HG2 ARG A 75 -17.039 3.024 -1.886 1.00 3.32 H new ATOM 0 HG3 ARG A 75 -17.451 3.769 -0.354 1.00 3.32 H new ATOM 0 HD2 ARG A 75 -18.702 5.516 -1.406 1.00 33.21 H new ATOM 0 HD3 ARG A 75 -18.004 5.185 -2.980 1.00 33.21 H new ATOM 0 HE ARG A 75 -19.516 3.436 -3.307 1.00 32.34 H new ATOM 0 HH11 ARG A 75 -19.679 4.595 -0.010 1.00 1.34 H new ATOM 0 HH12 ARG A 75 -21.140 3.664 0.335 1.00 1.34 H new ATOM 0 HH21 ARG A 75 -21.315 2.286 -2.840 1.00 31.10 H new ATOM 0 HH22 ARG A 75 -22.046 2.384 -1.234 1.00 31.10 H new ATOM 1211 N VAL A 76 -12.504 3.702 -1.569 1.00 75.13 N ATOM 1212 CA VAL A 76 -11.220 4.004 -2.208 1.00 61.11 C ATOM 1213 C VAL A 76 -11.064 3.241 -3.537 1.00 60.34 C ATOM 1214 O VAL A 76 -11.651 2.174 -3.730 1.00 53.44 O ATOM 1215 CB VAL A 76 -10.030 3.655 -1.271 1.00 42.30 C ATOM 1216 CG1 VAL A 76 -10.119 4.445 0.033 1.00 31.11 C ATOM 1217 CG2 VAL A 76 -9.974 2.156 -0.988 1.00 34.23 C ATOM 0 H VAL A 76 -12.636 2.715 -1.348 1.00 75.13 H new ATOM 0 HA VAL A 76 -11.209 5.075 -2.412 1.00 61.11 H new ATOM 0 HB VAL A 76 -9.109 3.936 -1.782 1.00 42.30 H new ATOM 0 HG11 VAL A 76 -9.276 4.185 0.674 1.00 31.11 H new ATOM 0 HG12 VAL A 76 -10.093 5.512 -0.186 1.00 31.11 H new ATOM 0 HG13 VAL A 76 -11.051 4.202 0.543 1.00 31.11 H new ATOM 0 HG21 VAL A 76 -9.132 1.941 -0.330 1.00 34.23 H new ATOM 0 HG22 VAL A 76 -10.900 1.842 -0.506 1.00 34.23 H new ATOM 0 HG23 VAL A 76 -9.850 1.613 -1.925 1.00 34.23 H new ATOM 1227 N GLU A 77 -10.277 3.793 -4.457 1.00 73.44 N ATOM 1228 CA GLU A 77 -9.999 3.127 -5.732 1.00 4.30 C ATOM 1229 C GLU A 77 -8.571 3.426 -6.211 1.00 41.44 C ATOM 1230 O GLU A 77 -7.858 4.242 -5.621 1.00 50.31 O ATOM 1231 CB GLU A 77 -11.022 3.543 -6.803 1.00 13.21 C ATOM 1232 CG GLU A 77 -10.959 5.013 -7.199 1.00 61.12 C ATOM 1233 CD GLU A 77 -11.796 5.310 -8.434 1.00 44.11 C ATOM 1234 OE1 GLU A 77 -13.032 5.412 -8.308 1.00 25.33 O ATOM 1235 OE2 GLU A 77 -11.219 5.419 -9.539 1.00 53.43 O ATOM 0 H GLU A 77 -9.820 4.698 -4.346 1.00 73.44 H new ATOM 0 HA GLU A 77 -10.087 2.053 -5.571 1.00 4.30 H new ATOM 0 HB2 GLU A 77 -10.866 2.933 -7.693 1.00 13.21 H new ATOM 0 HB3 GLU A 77 -12.024 3.321 -6.436 1.00 13.21 H new ATOM 0 HG2 GLU A 77 -11.308 5.627 -6.369 1.00 61.12 H new ATOM 0 HG3 GLU A 77 -9.923 5.293 -7.388 1.00 61.12 H new ATOM 1242 N LEU A 78 -8.163 2.765 -7.291 1.00 34.34 N ATOM 1243 CA LEU A 78 -6.787 2.866 -7.789 1.00 21.41 C ATOM 1244 C LEU A 78 -6.717 3.589 -9.141 1.00 43.04 C ATOM 1245 O LEU A 78 -7.477 3.288 -10.063 1.00 12.01 O ATOM 1246 CB LEU A 78 -6.176 1.464 -7.902 1.00 10.05 C ATOM 1247 CG LEU A 78 -6.141 0.671 -6.585 1.00 41.33 C ATOM 1248 CD1 LEU A 78 -5.503 -0.698 -6.783 1.00 11.43 C ATOM 1249 CD2 LEU A 78 -5.409 1.460 -5.505 1.00 52.33 C ATOM 0 H LEU A 78 -8.764 2.152 -7.841 1.00 34.34 H new ATOM 0 HA LEU A 78 -6.214 3.459 -7.076 1.00 21.41 H new ATOM 0 HB2 LEU A 78 -6.742 0.894 -8.639 1.00 10.05 H new ATOM 0 HB3 LEU A 78 -5.159 1.555 -8.283 1.00 10.05 H new ATOM 0 HG LEU A 78 -7.169 0.513 -6.259 1.00 41.33 H new ATOM 0 HD11 LEU A 78 -5.492 -1.235 -5.835 1.00 11.43 H new ATOM 0 HD12 LEU A 78 -6.078 -1.265 -7.515 1.00 11.43 H new ATOM 0 HD13 LEU A 78 -4.481 -0.575 -7.142 1.00 11.43 H new ATOM 0 HD21 LEU A 78 -5.394 0.883 -4.580 1.00 52.33 H new ATOM 0 HD22 LEU A 78 -4.386 1.655 -5.827 1.00 52.33 H new ATOM 0 HD23 LEU A 78 -5.923 2.406 -5.334 1.00 52.33 H new ATOM 1261 N ILE A 79 -5.798 4.545 -9.242 1.00 21.01 N ATOM 1262 CA ILE A 79 -5.581 5.297 -10.484 1.00 33.02 C ATOM 1263 C ILE A 79 -5.060 4.382 -11.610 1.00 11.23 C ATOM 1264 O ILE A 79 -5.686 4.257 -12.659 1.00 5.41 O ATOM 1265 CB ILE A 79 -4.594 6.473 -10.248 1.00 32.23 C ATOM 1266 CG1 ILE A 79 -5.153 7.438 -9.185 1.00 64.23 C ATOM 1267 CG2 ILE A 79 -4.310 7.219 -11.553 1.00 34.22 C ATOM 1268 CD1 ILE A 79 -6.469 8.083 -9.571 1.00 44.51 C ATOM 0 H ILE A 79 -5.185 4.822 -8.475 1.00 21.01 H new ATOM 0 HA ILE A 79 -6.543 5.703 -10.796 1.00 33.02 H new ATOM 0 HB ILE A 79 -3.654 6.060 -9.883 1.00 32.23 H new ATOM 0 HG12 ILE A 79 -5.287 6.894 -8.250 1.00 64.23 H new ATOM 0 HG13 ILE A 79 -4.418 8.220 -8.997 1.00 64.23 H new ATOM 0 HG21 ILE A 79 -3.616 8.038 -11.361 1.00 34.22 H new ATOM 0 HG22 ILE A 79 -3.870 6.533 -12.276 1.00 34.22 H new ATOM 0 HG23 ILE A 79 -5.241 7.619 -11.953 1.00 34.22 H new ATOM 0 HD11 ILE A 79 -6.797 8.748 -8.772 1.00 44.51 H new ATOM 0 HD12 ILE A 79 -6.338 8.656 -10.489 1.00 44.51 H new ATOM 0 HD13 ILE A 79 -7.220 7.310 -9.730 1.00 44.51 H new ATOM 1280 N ASN A 80 -3.907 3.749 -11.386 1.00 11.43 N ATOM 1281 CA ASN A 80 -3.368 2.755 -12.332 1.00 63.31 C ATOM 1282 C ASN A 80 -2.968 1.458 -11.600 1.00 64.23 C ATOM 1283 O ASN A 80 -1.831 1.323 -11.148 1.00 75.42 O ATOM 1284 CB ASN A 80 -2.162 3.313 -13.100 1.00 51.35 C ATOM 1285 CG ASN A 80 -2.500 4.543 -13.925 1.00 0.32 C ATOM 1286 OD1 ASN A 80 -2.261 5.718 -13.377 1.00 22.34 O flip ATOM 1287 ND2 ASN A 80 -2.952 4.437 -15.054 1.00 54.35 N flip ATOM 0 H ASN A 80 -3.326 3.902 -10.562 1.00 11.43 H new ATOM 0 HA ASN A 80 -4.158 2.526 -13.048 1.00 63.31 H new ATOM 0 HB2 ASN A 80 -1.372 3.563 -12.392 1.00 51.35 H new ATOM 0 HB3 ASN A 80 -1.767 2.539 -13.758 1.00 51.35 H new ATOM 0 HD21 ASN A 80 -3.126 3.513 -15.449 1.00 54.35 H new ATOM 0 HD22 ASN A 80 -3.156 5.273 -15.602 1.00 54.35 H new ATOM 1294 N PRO A 81 -3.920 0.518 -11.425 1.00 52.34 N ATOM 1295 CA PRO A 81 -3.670 -0.771 -10.747 1.00 50.40 C ATOM 1296 C PRO A 81 -3.038 -1.858 -11.648 1.00 21.21 C ATOM 1297 O PRO A 81 -3.404 -2.002 -12.813 1.00 33.50 O ATOM 1298 CB PRO A 81 -5.080 -1.188 -10.319 1.00 64.22 C ATOM 1299 CG PRO A 81 -5.974 -0.639 -11.383 1.00 4.34 C ATOM 1300 CD PRO A 81 -5.327 0.637 -11.876 1.00 33.21 C ATOM 0 HA PRO A 81 -2.947 -0.662 -9.939 1.00 50.40 H new ATOM 0 HB2 PRO A 81 -5.168 -2.272 -10.247 1.00 64.22 H new ATOM 0 HB3 PRO A 81 -5.333 -0.782 -9.340 1.00 64.22 H new ATOM 0 HG2 PRO A 81 -6.091 -1.354 -12.198 1.00 4.34 H new ATOM 0 HG3 PRO A 81 -6.970 -0.441 -10.988 1.00 4.34 H new ATOM 0 HD2 PRO A 81 -5.393 0.726 -12.960 1.00 33.21 H new ATOM 0 HD3 PRO A 81 -5.809 1.519 -11.454 1.00 33.21 H new ATOM 1308 N ILE A 82 -2.096 -2.630 -11.090 1.00 12.54 N ATOM 1309 CA ILE A 82 -1.528 -3.807 -11.775 1.00 1.22 C ATOM 1310 C ILE A 82 -1.416 -5.002 -10.810 1.00 35.25 C ATOM 1311 O ILE A 82 -1.246 -4.825 -9.604 1.00 33.11 O ATOM 1312 CB ILE A 82 -0.127 -3.517 -12.391 1.00 34.24 C ATOM 1313 CG1 ILE A 82 0.856 -3.050 -11.306 1.00 11.51 C ATOM 1314 CG2 ILE A 82 -0.228 -2.486 -13.518 1.00 54.13 C ATOM 1315 CD1 ILE A 82 2.271 -2.838 -11.801 1.00 10.45 C ATOM 0 H ILE A 82 -1.707 -2.462 -10.162 1.00 12.54 H new ATOM 0 HA ILE A 82 -2.214 -4.050 -12.587 1.00 1.22 H new ATOM 0 HB ILE A 82 0.255 -4.444 -12.819 1.00 34.24 H new ATOM 0 HG12 ILE A 82 0.490 -2.118 -10.877 1.00 11.51 H new ATOM 0 HG13 ILE A 82 0.870 -3.787 -10.503 1.00 11.51 H new ATOM 0 HG21 ILE A 82 0.763 -2.301 -13.932 1.00 54.13 H new ATOM 0 HG22 ILE A 82 -0.883 -2.867 -14.302 1.00 54.13 H new ATOM 0 HG23 ILE A 82 -0.637 -1.555 -13.124 1.00 54.13 H new ATOM 0 HD11 ILE A 82 2.900 -2.509 -10.974 1.00 10.45 H new ATOM 0 HD12 ILE A 82 2.660 -3.773 -12.203 1.00 10.45 H new ATOM 0 HD13 ILE A 82 2.273 -2.078 -12.583 1.00 10.45 H new ATOM 1327 N ALA A 83 -1.533 -6.218 -11.345 1.00 12.34 N ATOM 1328 CA ALA A 83 -1.428 -7.435 -10.528 1.00 61.51 C ATOM 1329 C ALA A 83 0.022 -7.931 -10.460 1.00 34.43 C ATOM 1330 O ALA A 83 0.607 -8.302 -11.481 1.00 64.54 O ATOM 1331 CB ALA A 83 -2.340 -8.521 -11.088 1.00 64.34 C ATOM 0 H ALA A 83 -1.700 -6.390 -12.336 1.00 12.34 H new ATOM 0 HA ALA A 83 -1.746 -7.195 -9.513 1.00 61.51 H new ATOM 0 HB1 ALA A 83 -2.255 -9.419 -10.476 1.00 64.34 H new ATOM 0 HB2 ALA A 83 -3.372 -8.171 -11.077 1.00 64.34 H new ATOM 0 HB3 ALA A 83 -2.046 -8.751 -12.112 1.00 64.34 H new ATOM 1337 N ASP A 84 0.597 -7.952 -9.259 1.00 35.53 N ATOM 1338 CA ASP A 84 2.019 -8.267 -9.094 1.00 21.44 C ATOM 1339 C ASP A 84 2.272 -9.630 -8.438 1.00 4.33 C ATOM 1340 O ASP A 84 1.570 -10.048 -7.516 1.00 33.00 O ATOM 1341 CB ASP A 84 2.704 -7.181 -8.271 1.00 54.54 C ATOM 1342 CG ASP A 84 2.655 -5.836 -8.962 1.00 54.35 C ATOM 1343 OD1 ASP A 84 1.616 -5.157 -8.857 1.00 72.53 O ATOM 1344 OD2 ASP A 84 3.656 -5.465 -9.615 1.00 53.54 O ATOM 0 H ASP A 84 0.104 -7.756 -8.388 1.00 35.53 H new ATOM 0 HA ASP A 84 2.438 -8.312 -10.099 1.00 21.44 H new ATOM 0 HB2 ASP A 84 2.223 -7.106 -7.296 1.00 54.54 H new ATOM 0 HB3 ASP A 84 3.742 -7.461 -8.093 1.00 54.54 H new ATOM 1522 N TRP A 98 -2.668 -12.285 -2.514 1.00 41.41 N ATOM 1523 CA TRP A 98 -1.917 -11.574 -3.562 1.00 22.25 C ATOM 1524 C TRP A 98 -1.865 -10.048 -3.354 1.00 44.13 C ATOM 1525 O TRP A 98 -2.633 -9.466 -2.575 1.00 61.42 O ATOM 1526 CB TRP A 98 -2.519 -11.892 -4.944 1.00 63.03 C ATOM 1527 CG TRP A 98 -3.914 -11.357 -5.163 1.00 44.10 C ATOM 1528 CD1 TRP A 98 -4.967 -11.404 -4.290 1.00 34.21 C ATOM 1529 CD2 TRP A 98 -4.412 -10.718 -6.349 1.00 64.43 C ATOM 1530 NE1 TRP A 98 -6.075 -10.822 -4.852 1.00 3.21 N ATOM 1531 CE2 TRP A 98 -5.763 -10.396 -6.114 1.00 64.33 C ATOM 1532 CE3 TRP A 98 -3.843 -10.384 -7.583 1.00 13.35 C ATOM 1533 CZ2 TRP A 98 -6.554 -9.760 -7.069 1.00 73.21 C ATOM 1534 CZ3 TRP A 98 -4.629 -9.748 -8.527 1.00 2.55 C ATOM 1535 CH2 TRP A 98 -5.971 -9.446 -8.266 1.00 61.21 C ATOM 0 HA TRP A 98 -0.889 -11.931 -3.502 1.00 22.25 H new ATOM 0 HB2 TRP A 98 -1.863 -11.484 -5.713 1.00 63.03 H new ATOM 0 HB3 TRP A 98 -2.534 -12.974 -5.078 1.00 63.03 H new ATOM 0 HD1 TRP A 98 -4.931 -11.837 -3.301 1.00 34.21 H new ATOM 0 HE1 TRP A 98 -6.985 -10.723 -4.401 1.00 3.21 H new ATOM 0 HE3 TRP A 98 -2.810 -10.618 -7.794 1.00 13.35 H new ATOM 0 HZ2 TRP A 98 -7.589 -9.524 -6.871 1.00 73.21 H new ATOM 0 HZ3 TRP A 98 -4.200 -9.480 -9.481 1.00 2.55 H new ATOM 0 HH2 TRP A 98 -6.559 -8.954 -9.027 1.00 61.21 H new ATOM 1546 N TYR A 99 -0.949 -9.410 -4.088 1.00 12.21 N ATOM 1547 CA TYR A 99 -0.727 -7.963 -4.000 1.00 53.31 C ATOM 1548 C TYR A 99 -1.039 -7.260 -5.330 1.00 61.21 C ATOM 1549 O TYR A 99 -0.862 -7.830 -6.409 1.00 23.11 O ATOM 1550 CB TYR A 99 0.731 -7.677 -3.600 1.00 32.12 C ATOM 1551 CG TYR A 99 1.082 -8.106 -2.185 1.00 52.44 C ATOM 1552 CD1 TYR A 99 1.159 -9.452 -1.843 1.00 71.44 C ATOM 1553 CD2 TYR A 99 1.339 -7.164 -1.195 1.00 61.42 C ATOM 1554 CE1 TYR A 99 1.480 -9.844 -0.558 1.00 40.50 C ATOM 1555 CE2 TYR A 99 1.661 -7.550 0.089 1.00 10.53 C ATOM 1556 CZ TYR A 99 1.729 -8.888 0.404 1.00 22.33 C ATOM 1557 OH TYR A 99 2.053 -9.269 1.687 1.00 50.00 O ATOM 0 H TYR A 99 -0.341 -9.880 -4.759 1.00 12.21 H new ATOM 0 HA TYR A 99 -1.404 -7.571 -3.240 1.00 53.31 H new ATOM 0 HB2 TYR A 99 1.395 -8.187 -4.298 1.00 32.12 H new ATOM 0 HB3 TYR A 99 0.922 -6.609 -3.702 1.00 32.12 H new ATOM 0 HD1 TYR A 99 0.965 -10.203 -2.594 1.00 71.44 H new ATOM 0 HD2 TYR A 99 1.286 -6.113 -1.436 1.00 61.42 H new ATOM 0 HE1 TYR A 99 1.536 -10.893 -0.308 1.00 40.50 H new ATOM 0 HE2 TYR A 99 1.859 -6.805 0.845 1.00 10.53 H new ATOM 0 HH TYR A 99 2.198 -8.472 2.238 1.00 50.00 H new ATOM 1567 N ILE A 100 -1.504 -6.016 -5.240 1.00 12.54 N ATOM 1568 CA ILE A 100 -1.789 -5.191 -6.424 1.00 33.43 C ATOM 1569 C ILE A 100 -1.107 -3.822 -6.294 1.00 12.11 C ATOM 1570 O ILE A 100 -1.441 -3.043 -5.402 1.00 33.01 O ATOM 1571 CB ILE A 100 -3.319 -4.975 -6.611 1.00 21.23 C ATOM 1572 CG1 ILE A 100 -4.052 -6.321 -6.728 1.00 25.33 C ATOM 1573 CG2 ILE A 100 -3.605 -4.103 -7.834 1.00 33.40 C ATOM 1574 CD1 ILE A 100 -5.556 -6.188 -6.860 1.00 52.32 C ATOM 0 H ILE A 100 -1.695 -5.549 -4.353 1.00 12.54 H new ATOM 0 HA ILE A 100 -1.399 -5.721 -7.293 1.00 33.43 H new ATOM 0 HB ILE A 100 -3.692 -4.456 -5.728 1.00 21.23 H new ATOM 0 HG12 ILE A 100 -3.667 -6.860 -7.594 1.00 25.33 H new ATOM 0 HG13 ILE A 100 -3.826 -6.925 -5.849 1.00 25.33 H new ATOM 0 HG21 ILE A 100 -4.681 -3.968 -7.941 1.00 33.40 H new ATOM 0 HG22 ILE A 100 -3.128 -3.131 -7.707 1.00 33.40 H new ATOM 0 HG23 ILE A 100 -3.209 -4.587 -8.727 1.00 33.40 H new ATOM 0 HD11 ILE A 100 -6.003 -7.179 -6.938 1.00 52.32 H new ATOM 0 HD12 ILE A 100 -5.954 -5.678 -5.983 1.00 52.32 H new ATOM 0 HD13 ILE A 100 -5.793 -5.612 -7.754 1.00 52.32 H new ATOM 1586 N LYS A 101 -0.150 -3.525 -7.161 1.00 41.22 N ATOM 1587 CA LYS A 101 0.547 -2.238 -7.101 1.00 2.24 C ATOM 1588 C LYS A 101 -0.151 -1.172 -7.953 1.00 64.31 C ATOM 1589 O LYS A 101 -0.560 -1.425 -9.085 1.00 11.30 O ATOM 1590 CB LYS A 101 2.009 -2.394 -7.517 1.00 34.03 C ATOM 1591 CG LYS A 101 2.854 -3.150 -6.493 1.00 61.14 C ATOM 1592 CD LYS A 101 4.274 -3.389 -6.990 1.00 21.22 C ATOM 1593 CE LYS A 101 4.888 -2.123 -7.568 1.00 52.22 C ATOM 1594 NZ LYS A 101 6.347 -2.260 -7.789 1.00 31.31 N ATOM 0 H LYS A 101 0.163 -4.146 -7.908 1.00 41.22 H new ATOM 0 HA LYS A 101 0.517 -1.898 -6.066 1.00 2.24 H new ATOM 0 HB2 LYS A 101 2.053 -2.918 -8.472 1.00 34.03 H new ATOM 0 HB3 LYS A 101 2.441 -1.406 -7.675 1.00 34.03 H new ATOM 0 HG2 LYS A 101 2.886 -2.585 -5.561 1.00 61.14 H new ATOM 0 HG3 LYS A 101 2.382 -4.107 -6.269 1.00 61.14 H new ATOM 0 HD2 LYS A 101 4.891 -3.750 -6.168 1.00 21.22 H new ATOM 0 HD3 LYS A 101 4.267 -4.170 -7.750 1.00 21.22 H new ATOM 0 HE2 LYS A 101 4.400 -1.883 -8.513 1.00 52.22 H new ATOM 0 HE3 LYS A 101 4.701 -1.289 -6.892 1.00 52.22 H new ATOM 0 HZ1 LYS A 101 6.693 -1.446 -8.336 1.00 31.31 H new ATOM 0 HZ2 LYS A 101 6.835 -2.294 -6.871 1.00 31.31 H new ATOM 0 HZ3 LYS A 101 6.538 -3.137 -8.315 1.00 31.31 H new ATOM 1608 N ALA A 102 -0.282 0.029 -7.402 1.00 71.43 N ATOM 1609 CA ALA A 102 -0.999 1.112 -8.077 1.00 3.11 C ATOM 1610 C ALA A 102 -0.139 2.373 -8.216 1.00 52.15 C ATOM 1611 O ALA A 102 0.788 2.605 -7.439 1.00 71.10 O ATOM 1612 CB ALA A 102 -2.290 1.429 -7.328 1.00 33.12 C ATOM 0 H ALA A 102 0.098 0.281 -6.489 1.00 71.43 H new ATOM 0 HA ALA A 102 -1.239 0.772 -9.085 1.00 3.11 H new ATOM 0 HB1 ALA A 102 -2.817 2.236 -7.837 1.00 33.12 H new ATOM 0 HB2 ALA A 102 -2.923 0.542 -7.302 1.00 33.12 H new ATOM 0 HB3 ALA A 102 -2.054 1.736 -6.309 1.00 33.12 H new ATOM 1618 N ASP A 103 -0.437 3.172 -9.233 1.00 33.34 N ATOM 1619 CA ASP A 103 0.198 4.481 -9.412 1.00 61.45 C ATOM 1620 C ASP A 103 -0.155 5.430 -8.251 1.00 53.13 C ATOM 1621 O ASP A 103 0.689 6.182 -7.759 1.00 43.44 O ATOM 1622 CB ASP A 103 -0.259 5.084 -10.740 1.00 3.31 C ATOM 1623 CG ASP A 103 0.426 6.395 -11.059 1.00 72.14 C ATOM 1624 OD1 ASP A 103 1.672 6.441 -11.032 1.00 3.25 O ATOM 1625 OD2 ASP A 103 -0.278 7.387 -11.320 1.00 22.12 O ATOM 0 H ASP A 103 -1.119 2.938 -9.954 1.00 33.34 H new ATOM 0 HA ASP A 103 1.280 4.349 -9.420 1.00 61.45 H new ATOM 0 HB2 ASP A 103 -0.063 4.373 -11.543 1.00 3.31 H new ATOM 0 HB3 ASP A 103 -1.337 5.241 -10.710 1.00 3.31 H new ATOM 1630 N ASP A 104 -1.420 5.381 -7.826 1.00 13.01 N ATOM 1631 CA ASP A 104 -1.914 6.209 -6.719 1.00 72.53 C ATOM 1632 C ASP A 104 -3.274 5.697 -6.207 1.00 63.11 C ATOM 1633 O ASP A 104 -3.993 4.990 -6.924 1.00 53.23 O ATOM 1634 CB ASP A 104 -2.027 7.674 -7.163 1.00 13.21 C ATOM 1635 CG ASP A 104 -2.532 8.586 -6.057 1.00 33.42 C ATOM 1636 OD1 ASP A 104 -1.979 8.530 -4.941 1.00 2.21 O ATOM 1637 OD2 ASP A 104 -3.480 9.358 -6.294 1.00 63.43 O ATOM 0 H ASP A 104 -2.128 4.771 -8.235 1.00 13.01 H new ATOM 0 HA ASP A 104 -1.199 6.142 -5.899 1.00 72.53 H new ATOM 0 HB2 ASP A 104 -1.051 8.024 -7.499 1.00 13.21 H new ATOM 0 HB3 ASP A 104 -2.700 7.739 -8.018 1.00 13.21 H new ATOM 1642 N ILE A 105 -3.609 6.058 -4.966 1.00 24.10 N ATOM 1643 CA ILE A 105 -4.874 5.646 -4.335 1.00 34.12 C ATOM 1644 C ILE A 105 -5.739 6.867 -3.969 1.00 33.30 C ATOM 1645 O ILE A 105 -5.297 7.746 -3.223 1.00 2.34 O ATOM 1646 CB ILE A 105 -4.617 4.821 -3.045 1.00 4.11 C ATOM 1647 CG1 ILE A 105 -3.648 3.661 -3.326 1.00 4.00 C ATOM 1648 CG2 ILE A 105 -5.937 4.300 -2.469 1.00 51.22 C ATOM 1649 CD1 ILE A 105 -3.345 2.805 -2.112 1.00 53.14 C ATOM 0 H ILE A 105 -3.019 6.639 -4.371 1.00 24.10 H new ATOM 0 HA ILE A 105 -5.401 5.030 -5.063 1.00 34.12 H new ATOM 0 HB ILE A 105 -4.156 5.475 -2.305 1.00 4.11 H new ATOM 0 HG12 ILE A 105 -4.070 3.029 -4.107 1.00 4.00 H new ATOM 0 HG13 ILE A 105 -2.714 4.067 -3.714 1.00 4.00 H new ATOM 0 HG21 ILE A 105 -5.738 3.724 -1.565 1.00 51.22 H new ATOM 0 HG22 ILE A 105 -6.586 5.142 -2.227 1.00 51.22 H new ATOM 0 HG23 ILE A 105 -6.428 3.663 -3.204 1.00 51.22 H new ATOM 0 HD11 ILE A 105 -2.655 2.009 -2.391 1.00 53.14 H new ATOM 0 HD12 ILE A 105 -2.892 3.422 -1.336 1.00 53.14 H new ATOM 0 HD13 ILE A 105 -4.270 2.368 -1.735 1.00 53.14 H new ATOM 1661 N VAL A 106 -6.973 6.910 -4.482 1.00 45.14 N ATOM 1662 CA VAL A 106 -7.895 8.035 -4.228 1.00 24.33 C ATOM 1663 C VAL A 106 -9.261 7.548 -3.718 1.00 32.52 C ATOM 1664 O VAL A 106 -9.481 6.349 -3.555 1.00 41.20 O ATOM 1665 CB VAL A 106 -8.109 8.892 -5.505 1.00 54.40 C ATOM 1666 CG1 VAL A 106 -6.798 9.526 -5.961 1.00 64.13 C ATOM 1667 CG2 VAL A 106 -8.729 8.051 -6.622 1.00 54.35 C ATOM 0 H VAL A 106 -7.362 6.179 -5.078 1.00 45.14 H new ATOM 0 HA VAL A 106 -7.427 8.648 -3.457 1.00 24.33 H new ATOM 0 HB VAL A 106 -8.803 9.697 -5.263 1.00 54.40 H new ATOM 0 HG11 VAL A 106 -6.974 10.121 -6.857 1.00 64.13 H new ATOM 0 HG12 VAL A 106 -6.409 10.167 -5.170 1.00 64.13 H new ATOM 0 HG13 VAL A 106 -6.073 8.743 -6.182 1.00 64.13 H new ATOM 0 HG21 VAL A 106 -8.871 8.670 -7.508 1.00 54.35 H new ATOM 0 HG22 VAL A 106 -8.066 7.220 -6.863 1.00 54.35 H new ATOM 0 HG23 VAL A 106 -9.693 7.663 -6.293 1.00 54.35 H new ATOM 1677 N LEU A 107 -10.174 8.486 -3.460 1.00 24.13 N ATOM 1678 CA LEU A 107 -11.532 8.151 -3.011 1.00 73.41 C ATOM 1679 C LEU A 107 -12.497 8.010 -4.198 1.00 21.24 C ATOM 1680 O LEU A 107 -12.468 8.802 -5.140 1.00 72.10 O ATOM 1681 CB LEU A 107 -12.057 9.214 -2.031 1.00 2.45 C ATOM 1682 CG LEU A 107 -11.328 9.274 -0.677 1.00 41.30 C ATOM 1683 CD1 LEU A 107 -11.895 10.387 0.201 1.00 4.42 C ATOM 1684 CD2 LEU A 107 -11.418 7.927 0.043 1.00 72.04 C ATOM 0 H LEU A 107 -10.000 9.487 -3.554 1.00 24.13 H new ATOM 0 HA LEU A 107 -11.480 7.190 -2.499 1.00 73.41 H new ATOM 0 HB2 LEU A 107 -11.985 10.192 -2.508 1.00 2.45 H new ATOM 0 HB3 LEU A 107 -13.115 9.025 -1.848 1.00 2.45 H new ATOM 0 HG LEU A 107 -10.278 9.495 -0.870 1.00 41.30 H new ATOM 0 HD11 LEU A 107 -11.362 10.408 1.152 1.00 4.42 H new ATOM 0 HD12 LEU A 107 -11.774 11.346 -0.303 1.00 4.42 H new ATOM 0 HD13 LEU A 107 -12.954 10.203 0.382 1.00 4.42 H new ATOM 0 HD21 LEU A 107 -10.897 7.989 0.998 1.00 72.04 H new ATOM 0 HD22 LEU A 107 -12.465 7.676 0.216 1.00 72.04 H new ATOM 0 HD23 LEU A 107 -10.957 7.154 -0.572 1.00 72.04 H new ATOM 1696 N THR A 108 -13.352 6.996 -4.137 1.00 53.24 N ATOM 1697 CA THR A 108 -14.320 6.717 -5.208 1.00 12.10 C ATOM 1698 C THR A 108 -15.496 7.707 -5.175 1.00 31.22 C ATOM 1699 O THR A 108 -15.825 8.258 -4.124 1.00 50.24 O ATOM 1700 CB THR A 108 -14.873 5.272 -5.089 1.00 1.12 C ATOM 1701 OG1 THR A 108 -13.800 4.353 -4.859 1.00 20.04 O ATOM 1702 CG2 THR A 108 -15.625 4.848 -6.349 1.00 5.32 C ATOM 0 H THR A 108 -13.400 6.345 -3.353 1.00 53.24 H new ATOM 0 HA THR A 108 -13.790 6.829 -6.154 1.00 12.10 H new ATOM 0 HB THR A 108 -15.568 5.259 -4.250 1.00 1.12 H new ATOM 0 HG1 THR A 108 -14.158 3.444 -4.784 1.00 20.04 H new ATOM 0 HG21 THR A 108 -15.996 3.831 -6.226 1.00 5.32 H new ATOM 0 HG22 THR A 108 -16.464 5.523 -6.516 1.00 5.32 H new ATOM 0 HG23 THR A 108 -14.952 4.887 -7.205 1.00 5.32 H new