USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 19 LYS NZ :NH3+ -161:sc= 1.78 (180deg=0.783) USER MOD Set 1.2: A 43 THR OG1 : rot -179:sc= 0.417 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0349 F(o=-1.3,f=-0.035) USER MOD Single : A 35 THR OG1 : rot -125:sc= -0.156 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= -0.0327 (180deg=-0.348) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.529 K(o=-0.53,f=-3.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -59:sc= 1.68 USER MOD Single : A 58 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 59 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.579 K(o=0.58,f=-3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0314 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -9.113 -9.164 -0.305 1.00 1.30 N ATOM 274 CA ARG A 18 -8.359 -9.265 0.950 1.00 25.42 C ATOM 275 C ARG A 18 -7.854 -7.889 1.401 1.00 43.03 C ATOM 276 O ARG A 18 -7.436 -7.066 0.578 1.00 33.31 O ATOM 277 CB ARG A 18 -7.168 -10.230 0.798 1.00 11.33 C ATOM 278 CG ARG A 18 -6.012 -9.674 -0.037 1.00 22.33 C ATOM 279 CD ARG A 18 -6.320 -9.636 -1.538 1.00 25.00 C ATOM 280 NE ARG A 18 -5.791 -10.808 -2.236 1.00 31.45 N ATOM 281 CZ ARG A 18 -4.965 -10.743 -3.245 1.00 22.41 C ATOM 282 NH1 ARG A 18 -4.634 -9.603 -3.752 1.00 62.23 N ATOM 283 NH2 ARG A 18 -4.479 -11.822 -3.759 1.00 73.54 N ATOM 0 HA ARG A 18 -9.036 -9.656 1.709 1.00 25.42 H new ATOM 0 HB2 ARG A 18 -6.794 -10.487 1.789 1.00 11.33 H new ATOM 0 HB3 ARG A 18 -7.520 -11.154 0.340 1.00 11.33 H new ATOM 0 HG2 ARG A 18 -5.776 -8.666 0.305 1.00 22.33 H new ATOM 0 HG3 ARG A 18 -5.124 -10.284 0.131 1.00 22.33 H new ATOM 0 HD2 ARG A 18 -7.399 -9.582 -1.685 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -5.894 -8.732 -1.973 1.00 25.00 H new ATOM 0 HE ARG A 18 -6.085 -11.731 -1.915 1.00 31.45 H new ATOM 0 HH11 ARG A 18 -5.019 -8.741 -3.364 1.00 62.23 H new ATOM 0 HH12 ARG A 18 -3.988 -9.564 -4.540 1.00 62.23 H new ATOM 0 HH21 ARG A 18 -4.740 -12.731 -3.377 1.00 73.54 H new ATOM 0 HH22 ARG A 18 -3.834 -11.766 -4.547 1.00 73.54 H new ATOM 297 N LYS A 19 -7.895 -7.636 2.701 1.00 2.44 N ATOM 298 CA LYS A 19 -7.342 -6.401 3.261 1.00 45.12 C ATOM 299 C LYS A 19 -6.173 -6.694 4.215 1.00 74.15 C ATOM 300 O LYS A 19 -6.193 -7.671 4.965 1.00 20.51 O ATOM 301 CB LYS A 19 -8.432 -5.585 3.976 1.00 73.21 C ATOM 302 CG LYS A 19 -9.218 -4.653 3.051 1.00 44.13 C ATOM 303 CD LYS A 19 -10.161 -3.733 3.828 1.00 25.24 C ATOM 304 CE LYS A 19 -10.749 -2.630 2.945 1.00 22.12 C ATOM 305 NZ LYS A 19 -9.687 -1.757 2.369 1.00 51.33 N ATOM 0 H LYS A 19 -8.304 -8.266 3.391 1.00 2.44 H new ATOM 0 HA LYS A 19 -6.958 -5.807 2.432 1.00 45.12 H new ATOM 0 HB2 LYS A 19 -9.127 -6.271 4.460 1.00 73.21 H new ATOM 0 HB3 LYS A 19 -7.969 -4.992 4.765 1.00 73.21 H new ATOM 0 HG2 LYS A 19 -8.522 -4.050 2.468 1.00 44.13 H new ATOM 0 HG3 LYS A 19 -9.795 -5.248 2.343 1.00 44.13 H new ATOM 0 HD2 LYS A 19 -10.971 -4.324 4.257 1.00 25.24 H new ATOM 0 HD3 LYS A 19 -9.621 -3.281 4.660 1.00 25.24 H new ATOM 0 HE2 LYS A 19 -11.327 -3.080 2.138 1.00 22.12 H new ATOM 0 HE3 LYS A 19 -11.439 -2.024 3.532 1.00 22.12 H new ATOM 0 HZ1 LYS A 19 -10.108 -0.859 2.056 1.00 51.33 H new ATOM 0 HZ2 LYS A 19 -8.964 -1.567 3.092 1.00 51.33 H new ATOM 0 HZ3 LYS A 19 -9.247 -2.235 1.557 1.00 51.33 H new ATOM 319 N VAL A 20 -5.160 -5.834 4.174 1.00 34.30 N ATOM 320 CA VAL A 20 -3.958 -5.988 4.997 1.00 53.44 C ATOM 321 C VAL A 20 -3.728 -4.733 5.852 1.00 32.01 C ATOM 322 O VAL A 20 -4.279 -3.669 5.563 1.00 20.12 O ATOM 323 CB VAL A 20 -2.707 -6.235 4.111 1.00 32.33 C ATOM 324 CG1 VAL A 20 -2.902 -7.468 3.225 1.00 71.22 C ATOM 325 CG2 VAL A 20 -2.387 -5.002 3.264 1.00 31.12 C ATOM 0 H VAL A 20 -5.146 -5.011 3.572 1.00 34.30 H new ATOM 0 HA VAL A 20 -4.110 -6.850 5.647 1.00 53.44 H new ATOM 0 HB VAL A 20 -1.859 -6.422 4.769 1.00 32.33 H new ATOM 0 HG11 VAL A 20 -2.013 -7.621 2.613 1.00 71.22 H new ATOM 0 HG12 VAL A 20 -3.066 -8.344 3.852 1.00 71.22 H new ATOM 0 HG13 VAL A 20 -3.766 -7.318 2.578 1.00 71.22 H new ATOM 0 HG21 VAL A 20 -1.507 -5.199 2.652 1.00 31.12 H new ATOM 0 HG22 VAL A 20 -3.235 -4.775 2.618 1.00 31.12 H new ATOM 0 HG23 VAL A 20 -2.191 -4.152 3.918 1.00 31.12 H new ATOM 335 N ARG A 21 -2.917 -4.850 6.898 1.00 22.35 N ATOM 336 CA ARG A 21 -2.651 -3.716 7.789 1.00 33.00 C ATOM 337 C ARG A 21 -1.235 -3.158 7.589 1.00 52.42 C ATOM 338 O ARG A 21 -0.255 -3.905 7.559 1.00 20.13 O ATOM 339 CB ARG A 21 -2.858 -4.128 9.253 1.00 73.12 C ATOM 340 CG ARG A 21 -2.537 -3.021 10.253 1.00 12.24 C ATOM 341 CD ARG A 21 -2.876 -3.422 11.682 1.00 21.33 C ATOM 342 NE ARG A 21 -2.397 -2.434 12.644 1.00 61.24 N ATOM 343 CZ ARG A 21 -2.938 -2.212 13.808 1.00 31.42 C ATOM 344 NH1 ARG A 21 -4.021 -2.830 14.171 1.00 41.31 N ATOM 345 NH2 ARG A 21 -2.398 -1.359 14.612 1.00 61.43 N ATOM 0 H ARG A 21 -2.433 -5.711 7.152 1.00 22.35 H new ATOM 0 HA ARG A 21 -3.358 -2.925 7.537 1.00 33.00 H new ATOM 0 HB2 ARG A 21 -3.893 -4.441 9.390 1.00 73.12 H new ATOM 0 HB3 ARG A 21 -2.232 -4.994 9.470 1.00 73.12 H new ATOM 0 HG2 ARG A 21 -1.478 -2.771 10.189 1.00 12.24 H new ATOM 0 HG3 ARG A 21 -3.093 -2.122 9.988 1.00 12.24 H new ATOM 0 HD2 ARG A 21 -3.955 -3.535 11.783 1.00 21.33 H new ATOM 0 HD3 ARG A 21 -2.431 -4.392 11.904 1.00 21.33 H new ATOM 0 HE ARG A 21 -1.581 -1.878 12.387 1.00 61.24 H new ATOM 0 HH11 ARG A 21 -4.461 -3.501 13.541 1.00 41.31 H new ATOM 0 HH12 ARG A 21 -4.432 -2.645 15.086 1.00 41.31 H new ATOM 0 HH21 ARG A 21 -1.551 -0.862 14.335 1.00 61.43 H new ATOM 0 HH22 ARG A 21 -2.818 -1.182 15.525 1.00 61.43 H new ATOM 359 N ALA A 22 -1.137 -1.839 7.451 1.00 13.43 N ATOM 360 CA ALA A 22 0.158 -1.170 7.299 1.00 53.10 C ATOM 361 C ALA A 22 0.879 -1.029 8.646 1.00 33.12 C ATOM 362 O ALA A 22 0.278 -0.608 9.633 1.00 61.31 O ATOM 363 CB ALA A 22 -0.034 0.204 6.672 1.00 53.02 C ATOM 0 H ALA A 22 -1.939 -1.208 7.441 1.00 13.43 H new ATOM 0 HA ALA A 22 0.776 -1.786 6.646 1.00 53.10 H new ATOM 0 HB1 ALA A 22 0.934 0.693 6.563 1.00 53.02 H new ATOM 0 HB2 ALA A 22 -0.498 0.095 5.692 1.00 53.02 H new ATOM 0 HB3 ALA A 22 -0.676 0.809 7.312 1.00 53.02 H new ATOM 369 N ILE A 23 2.166 -1.375 8.685 1.00 75.52 N ATOM 370 CA ILE A 23 2.960 -1.249 9.919 1.00 21.12 C ATOM 371 C ILE A 23 3.907 -0.035 9.887 1.00 23.21 C ATOM 372 O ILE A 23 4.328 0.455 10.934 1.00 61.35 O ATOM 373 CB ILE A 23 3.779 -2.538 10.206 1.00 64.54 C ATOM 374 CG1 ILE A 23 4.704 -2.880 9.026 1.00 11.34 C ATOM 375 CG2 ILE A 23 2.845 -3.706 10.512 1.00 3.23 C ATOM 376 CD1 ILE A 23 5.550 -4.125 9.237 1.00 24.24 C ATOM 0 H ILE A 23 2.683 -1.742 7.886 1.00 75.52 H new ATOM 0 HA ILE A 23 2.240 -1.098 10.724 1.00 21.12 H new ATOM 0 HB ILE A 23 4.404 -2.354 11.080 1.00 64.54 H new ATOM 0 HG12 ILE A 23 4.097 -3.014 8.131 1.00 11.34 H new ATOM 0 HG13 ILE A 23 5.364 -2.033 8.839 1.00 11.34 H new ATOM 0 HG21 ILE A 23 3.435 -4.601 10.711 1.00 3.23 H new ATOM 0 HG22 ILE A 23 2.240 -3.468 11.387 1.00 3.23 H new ATOM 0 HG23 ILE A 23 2.193 -3.884 9.657 1.00 3.23 H new ATOM 0 HD11 ILE A 23 6.173 -4.295 8.359 1.00 24.24 H new ATOM 0 HD12 ILE A 23 6.186 -3.989 10.112 1.00 24.24 H new ATOM 0 HD13 ILE A 23 4.899 -4.985 9.392 1.00 24.24 H new ATOM 388 N TYR A 24 4.248 0.448 8.692 1.00 71.42 N ATOM 389 CA TYR A 24 5.113 1.630 8.551 1.00 42.34 C ATOM 390 C TYR A 24 4.449 2.712 7.679 1.00 75.35 C ATOM 391 O TYR A 24 3.937 2.423 6.598 1.00 51.21 O ATOM 392 CB TYR A 24 6.467 1.247 7.934 1.00 11.42 C ATOM 393 CG TYR A 24 7.272 0.241 8.742 1.00 61.23 C ATOM 394 CD1 TYR A 24 7.581 0.478 10.079 1.00 3.41 C ATOM 395 CD2 TYR A 24 7.730 -0.939 8.165 1.00 32.33 C ATOM 396 CE1 TYR A 24 8.321 -0.432 10.811 1.00 24.33 C ATOM 397 CE2 TYR A 24 8.470 -1.850 8.892 1.00 53.12 C ATOM 398 CZ TYR A 24 8.764 -1.594 10.213 1.00 40.12 C ATOM 399 OH TYR A 24 9.499 -2.504 10.940 1.00 72.30 O ATOM 0 H TYR A 24 3.942 0.044 7.807 1.00 71.42 H new ATOM 0 HA TYR A 24 5.271 2.032 9.552 1.00 42.34 H new ATOM 0 HB2 TYR A 24 6.295 0.838 6.938 1.00 11.42 H new ATOM 0 HB3 TYR A 24 7.062 2.151 7.808 1.00 11.42 H new ATOM 0 HD1 TYR A 24 7.237 1.386 10.551 1.00 3.41 H new ATOM 0 HD2 TYR A 24 7.503 -1.146 7.130 1.00 32.33 H new ATOM 0 HE1 TYR A 24 8.552 -0.234 11.847 1.00 24.33 H new ATOM 0 HE2 TYR A 24 8.817 -2.760 8.426 1.00 53.12 H new ATOM 0 HH TYR A 24 9.731 -3.267 10.370 1.00 72.30 H new ATOM 409 N ASP A 25 4.473 3.960 8.156 1.00 14.25 N ATOM 410 CA ASP A 25 3.924 5.097 7.406 1.00 13.12 C ATOM 411 C ASP A 25 4.748 5.386 6.143 1.00 14.45 C ATOM 412 O ASP A 25 5.981 5.297 6.164 1.00 34.31 O ATOM 413 CB ASP A 25 3.920 6.344 8.295 1.00 54.05 C ATOM 414 CG ASP A 25 3.242 6.103 9.625 1.00 72.54 C ATOM 415 OD1 ASP A 25 3.903 5.584 10.545 1.00 14.04 O ATOM 416 OD2 ASP A 25 2.046 6.430 9.756 1.00 74.34 O ATOM 0 H ASP A 25 4.868 4.211 9.062 1.00 14.25 H new ATOM 0 HA ASP A 25 2.908 4.842 7.105 1.00 13.12 H new ATOM 0 HB2 ASP A 25 4.947 6.667 8.467 1.00 54.05 H new ATOM 0 HB3 ASP A 25 3.413 7.156 7.774 1.00 54.05 H new ATOM 421 N PHE A 26 4.075 5.733 5.047 1.00 11.54 N ATOM 422 CA PHE A 26 4.770 6.118 3.818 1.00 64.00 C ATOM 423 C PHE A 26 3.883 6.985 2.907 1.00 14.24 C ATOM 424 O PHE A 26 2.800 6.576 2.485 1.00 31.01 O ATOM 425 CB PHE A 26 5.256 4.877 3.062 1.00 31.42 C ATOM 426 CG PHE A 26 6.144 5.193 1.886 1.00 51.03 C ATOM 427 CD1 PHE A 26 7.483 5.506 2.077 1.00 42.53 C ATOM 428 CD2 PHE A 26 5.640 5.179 0.592 1.00 5.03 C ATOM 429 CE1 PHE A 26 8.298 5.799 1.002 1.00 45.55 C ATOM 430 CE2 PHE A 26 6.455 5.471 -0.482 1.00 51.03 C ATOM 431 CZ PHE A 26 7.785 5.781 -0.279 1.00 75.54 C ATOM 0 H PHE A 26 3.057 5.756 4.984 1.00 11.54 H new ATOM 0 HA PHE A 26 5.633 6.717 4.107 1.00 64.00 H new ATOM 0 HB2 PHE A 26 5.799 4.231 3.752 1.00 31.42 H new ATOM 0 HB3 PHE A 26 4.391 4.314 2.712 1.00 31.42 H new ATOM 0 HD1 PHE A 26 7.891 5.520 3.077 1.00 42.53 H new ATOM 0 HD2 PHE A 26 4.601 4.937 0.425 1.00 5.03 H new ATOM 0 HE1 PHE A 26 9.338 6.042 1.164 1.00 45.55 H new ATOM 0 HE2 PHE A 26 6.052 5.457 -1.484 1.00 51.03 H new ATOM 0 HZ PHE A 26 8.422 6.009 -1.121 1.00 75.54 H new ATOM 441 N GLU A 27 4.358 8.191 2.620 1.00 51.53 N ATOM 442 CA GLU A 27 3.661 9.115 1.728 1.00 62.25 C ATOM 443 C GLU A 27 4.295 9.086 0.325 1.00 24.02 C ATOM 444 O GLU A 27 5.496 9.320 0.172 1.00 71.12 O ATOM 445 CB GLU A 27 3.705 10.528 2.327 1.00 34.32 C ATOM 446 CG GLU A 27 2.889 11.564 1.565 1.00 52.24 C ATOM 447 CD GLU A 27 2.790 12.885 2.311 1.00 21.32 C ATOM 448 OE1 GLU A 27 1.874 13.028 3.148 1.00 42.14 O ATOM 449 OE2 GLU A 27 3.629 13.778 2.073 1.00 14.11 O ATOM 0 H GLU A 27 5.233 8.557 2.996 1.00 51.53 H new ATOM 0 HA GLU A 27 2.620 8.809 1.626 1.00 62.25 H new ATOM 0 HB2 GLU A 27 3.344 10.484 3.355 1.00 34.32 H new ATOM 0 HB3 GLU A 27 4.743 10.860 2.367 1.00 34.32 H new ATOM 0 HG2 GLU A 27 3.343 11.734 0.589 1.00 52.24 H new ATOM 0 HG3 GLU A 27 1.887 11.174 1.387 1.00 52.24 H new ATOM 456 N ALA A 28 3.486 8.795 -0.690 1.00 34.21 N ATOM 457 CA ALA A 28 3.988 8.584 -2.051 1.00 73.42 C ATOM 458 C ALA A 28 4.689 9.819 -2.630 1.00 21.50 C ATOM 459 O ALA A 28 4.191 10.945 -2.536 1.00 63.12 O ATOM 460 CB ALA A 28 2.852 8.161 -2.969 1.00 33.33 C ATOM 0 H ALA A 28 2.475 8.699 -0.598 1.00 34.21 H new ATOM 0 HA ALA A 28 4.734 7.792 -1.989 1.00 73.42 H new ATOM 0 HB1 ALA A 28 3.237 8.007 -3.977 1.00 33.33 H new ATOM 0 HB2 ALA A 28 2.414 7.233 -2.602 1.00 33.33 H new ATOM 0 HB3 ALA A 28 2.089 8.940 -2.987 1.00 33.33 H new ATOM 466 N ALA A 29 5.849 9.588 -3.231 1.00 65.31 N ATOM 467 CA ALA A 29 6.586 10.630 -3.947 1.00 65.52 C ATOM 468 C ALA A 29 6.128 10.729 -5.411 1.00 62.31 C ATOM 469 O ALA A 29 6.457 11.689 -6.114 1.00 3.51 O ATOM 470 CB ALA A 29 8.079 10.337 -3.884 1.00 75.41 C ATOM 0 H ALA A 29 6.307 8.677 -3.238 1.00 65.31 H new ATOM 0 HA ALA A 29 6.382 11.587 -3.467 1.00 65.52 H new ATOM 0 HB1 ALA A 29 8.625 11.115 -4.418 1.00 75.41 H new ATOM 0 HB2 ALA A 29 8.402 10.316 -2.843 1.00 75.41 H new ATOM 0 HB3 ALA A 29 8.280 9.370 -4.346 1.00 75.41 H new ATOM 476 N GLU A 30 5.379 9.722 -5.863 1.00 74.12 N ATOM 477 CA GLU A 30 4.908 9.652 -7.253 1.00 51.13 C ATOM 478 C GLU A 30 3.391 9.395 -7.337 1.00 45.51 C ATOM 479 O GLU A 30 2.771 8.929 -6.381 1.00 63.34 O ATOM 480 CB GLU A 30 5.637 8.522 -7.995 1.00 23.35 C ATOM 481 CG GLU A 30 7.154 8.670 -8.033 1.00 73.23 C ATOM 482 CD GLU A 30 7.841 7.465 -8.655 1.00 61.04 C ATOM 483 OE1 GLU A 30 7.760 7.302 -9.893 1.00 12.13 O ATOM 484 OE2 GLU A 30 8.445 6.666 -7.907 1.00 63.30 O ATOM 0 H GLU A 30 5.082 8.937 -5.284 1.00 74.12 H new ATOM 0 HA GLU A 30 5.122 10.616 -7.714 1.00 51.13 H new ATOM 0 HB2 GLU A 30 5.388 7.573 -7.521 1.00 23.35 H new ATOM 0 HB3 GLU A 30 5.263 8.475 -9.018 1.00 23.35 H new ATOM 0 HG2 GLU A 30 7.414 9.565 -8.598 1.00 73.23 H new ATOM 0 HG3 GLU A 30 7.527 8.814 -7.019 1.00 73.23 H new ATOM 491 N ASP A 31 2.811 9.697 -8.497 1.00 1.22 N ATOM 492 CA ASP A 31 1.405 9.376 -8.786 1.00 33.30 C ATOM 493 C ASP A 31 1.187 7.850 -8.819 1.00 43.44 C ATOM 494 O ASP A 31 0.198 7.331 -8.296 1.00 4.41 O ATOM 495 CB ASP A 31 1.013 10.004 -10.135 1.00 24.13 C ATOM 496 CG ASP A 31 -0.428 9.727 -10.531 1.00 2.11 C ATOM 497 OD1 ASP A 31 -0.696 8.655 -11.110 1.00 35.54 O ATOM 498 OD2 ASP A 31 -1.297 10.589 -10.285 1.00 31.00 O ATOM 0 H ASP A 31 3.294 10.168 -9.262 1.00 1.22 H new ATOM 0 HA ASP A 31 0.775 9.785 -7.996 1.00 33.30 H new ATOM 0 HB2 ASP A 31 1.168 11.082 -10.085 1.00 24.13 H new ATOM 0 HB3 ASP A 31 1.676 9.622 -10.912 1.00 24.13 H new ATOM 503 N ASN A 32 2.138 7.150 -9.436 1.00 14.23 N ATOM 504 CA ASN A 32 2.104 5.686 -9.562 1.00 35.43 C ATOM 505 C ASN A 32 2.328 4.984 -8.207 1.00 23.35 C ATOM 506 O ASN A 32 2.082 3.785 -8.063 1.00 63.32 O ATOM 507 CB ASN A 32 3.174 5.262 -10.580 1.00 72.11 C ATOM 508 CG ASN A 32 3.253 3.760 -10.789 1.00 51.33 C ATOM 509 OD1 ASN A 32 4.232 3.122 -10.183 1.00 2.15 O flip ATOM 510 ND2 ASN A 32 2.466 3.186 -11.532 1.00 33.43 N flip ATOM 0 H ASN A 32 2.958 7.579 -9.865 1.00 14.23 H new ATOM 0 HA ASN A 32 1.115 5.383 -9.907 1.00 35.43 H new ATOM 0 HB2 ASN A 32 2.965 5.743 -11.536 1.00 72.11 H new ATOM 0 HB3 ASN A 32 4.146 5.626 -10.246 1.00 72.11 H new ATOM 0 HD21 ASN A 32 1.718 3.710 -11.986 1.00 33.43 H new ATOM 0 HD22 ASN A 32 2.558 2.184 -11.696 1.00 33.43 H new ATOM 517 N GLU A 33 2.779 5.746 -7.217 1.00 3.14 N ATOM 518 CA GLU A 33 3.092 5.208 -5.889 1.00 5.32 C ATOM 519 C GLU A 33 1.913 5.446 -4.915 1.00 21.03 C ATOM 520 O GLU A 33 1.064 6.304 -5.161 1.00 34.34 O ATOM 521 CB GLU A 33 4.383 5.876 -5.395 1.00 14.44 C ATOM 522 CG GLU A 33 5.029 5.222 -4.182 1.00 41.24 C ATOM 523 CD GLU A 33 6.452 5.714 -3.968 1.00 15.23 C ATOM 524 OE1 GLU A 33 6.625 6.863 -3.510 1.00 60.10 O ATOM 525 OE2 GLU A 33 7.404 4.968 -4.291 1.00 2.33 O ATOM 0 H GLU A 33 2.939 6.749 -7.307 1.00 3.14 H new ATOM 0 HA GLU A 33 3.243 4.130 -5.940 1.00 5.32 H new ATOM 0 HB2 GLU A 33 5.105 5.883 -6.212 1.00 14.44 H new ATOM 0 HB3 GLU A 33 4.165 6.916 -5.154 1.00 14.44 H new ATOM 0 HG2 GLU A 33 4.433 5.434 -3.294 1.00 41.24 H new ATOM 0 HG3 GLU A 33 5.034 4.140 -4.312 1.00 41.24 H new ATOM 532 N LEU A 34 1.857 4.696 -3.809 1.00 63.35 N ATOM 533 CA LEU A 34 0.696 4.747 -2.896 1.00 23.30 C ATOM 534 C LEU A 34 0.994 5.541 -1.603 1.00 33.22 C ATOM 535 O LEU A 34 2.040 5.369 -0.980 1.00 50.43 O ATOM 536 CB LEU A 34 0.253 3.314 -2.535 1.00 34.43 C ATOM 537 CG LEU A 34 -1.268 3.051 -2.537 1.00 2.22 C ATOM 538 CD1 LEU A 34 -1.570 1.656 -1.995 1.00 73.12 C ATOM 539 CD2 LEU A 34 -2.026 4.115 -1.746 1.00 33.30 C ATOM 0 H LEU A 34 2.592 4.050 -3.521 1.00 63.35 H new ATOM 0 HA LEU A 34 -0.105 5.268 -3.420 1.00 23.30 H new ATOM 0 HB2 LEU A 34 0.721 2.624 -3.237 1.00 34.43 H new ATOM 0 HB3 LEU A 34 0.641 3.074 -1.545 1.00 34.43 H new ATOM 0 HG LEU A 34 -1.612 3.106 -3.570 1.00 2.22 H new ATOM 0 HD11 LEU A 34 -2.647 1.488 -2.004 1.00 73.12 H new ATOM 0 HD12 LEU A 34 -1.081 0.909 -2.620 1.00 73.12 H new ATOM 0 HD13 LEU A 34 -1.198 1.574 -0.974 1.00 73.12 H new ATOM 0 HD21 LEU A 34 -3.093 3.895 -1.771 1.00 33.30 H new ATOM 0 HD22 LEU A 34 -1.680 4.116 -0.713 1.00 33.30 H new ATOM 0 HD23 LEU A 34 -1.847 5.094 -2.189 1.00 33.30 H new ATOM 551 N THR A 35 0.055 6.406 -1.215 1.00 13.11 N ATOM 552 CA THR A 35 0.162 7.203 0.021 1.00 41.51 C ATOM 553 C THR A 35 -0.783 6.681 1.113 1.00 31.40 C ATOM 554 O THR A 35 -1.998 6.637 0.915 1.00 55.33 O ATOM 555 CB THR A 35 -0.190 8.692 -0.242 1.00 51.43 C ATOM 556 OG1 THR A 35 0.721 9.258 -1.192 1.00 71.03 O ATOM 557 CG2 THR A 35 -0.156 9.514 1.045 1.00 51.34 C ATOM 0 H THR A 35 -0.801 6.578 -1.743 1.00 13.11 H new ATOM 0 HA THR A 35 1.195 7.114 0.356 1.00 41.51 H new ATOM 0 HB THR A 35 -1.204 8.722 -0.642 1.00 51.43 H new ATOM 0 HG1 THR A 35 1.134 10.061 -0.811 1.00 71.03 H new ATOM 0 HG21 THR A 35 -0.408 10.551 0.821 1.00 51.34 H new ATOM 0 HG22 THR A 35 -0.879 9.110 1.754 1.00 51.34 H new ATOM 0 HG23 THR A 35 0.843 9.469 1.479 1.00 51.34 H new ATOM 565 N PHE A 36 -0.224 6.284 2.261 1.00 42.23 N ATOM 566 CA PHE A 36 -1.044 5.905 3.425 1.00 42.53 C ATOM 567 C PHE A 36 -0.220 5.806 4.723 1.00 63.31 C ATOM 568 O PHE A 36 1.011 5.721 4.701 1.00 33.51 O ATOM 569 CB PHE A 36 -1.817 4.597 3.168 1.00 12.14 C ATOM 570 CG PHE A 36 -0.964 3.411 2.776 1.00 65.51 C ATOM 571 CD1 PHE A 36 -0.483 3.282 1.479 1.00 35.11 C ATOM 572 CD2 PHE A 36 -0.665 2.414 3.693 1.00 35.45 C ATOM 573 CE1 PHE A 36 0.275 2.190 1.107 1.00 2.22 C ATOM 574 CE2 PHE A 36 0.092 1.318 3.322 1.00 11.52 C ATOM 575 CZ PHE A 36 0.561 1.206 2.028 1.00 65.21 C ATOM 0 H PHE A 36 0.782 6.216 2.412 1.00 42.23 H new ATOM 0 HA PHE A 36 -1.767 6.709 3.565 1.00 42.53 H new ATOM 0 HB2 PHE A 36 -2.375 4.341 4.068 1.00 12.14 H new ATOM 0 HB3 PHE A 36 -2.548 4.775 2.379 1.00 12.14 H new ATOM 0 HD1 PHE A 36 -0.706 4.048 0.751 1.00 35.11 H new ATOM 0 HD2 PHE A 36 -1.027 2.495 4.707 1.00 35.45 H new ATOM 0 HE1 PHE A 36 0.643 2.107 0.095 1.00 2.22 H new ATOM 0 HE2 PHE A 36 0.317 0.548 4.045 1.00 11.52 H new ATOM 0 HZ PHE A 36 1.151 0.349 1.739 1.00 65.21 H new ATOM 585 N LYS A 37 -0.922 5.823 5.859 1.00 40.12 N ATOM 586 CA LYS A 37 -0.284 5.815 7.186 1.00 74.33 C ATOM 587 C LYS A 37 -0.303 4.412 7.828 1.00 70.43 C ATOM 588 O LYS A 37 -0.870 3.466 7.279 1.00 13.33 O ATOM 589 CB LYS A 37 -1.003 6.820 8.107 1.00 24.35 C ATOM 590 CG LYS A 37 -1.031 8.247 7.561 1.00 34.33 C ATOM 591 CD LYS A 37 0.350 8.913 7.576 1.00 34.20 C ATOM 592 CE LYS A 37 0.656 9.599 8.911 1.00 43.21 C ATOM 593 NZ LYS A 37 0.534 8.679 10.074 1.00 70.24 N ATOM 0 H LYS A 37 -1.941 5.843 5.890 1.00 40.12 H new ATOM 0 HA LYS A 37 0.759 6.103 7.057 1.00 74.33 H new ATOM 0 HB2 LYS A 37 -2.027 6.483 8.268 1.00 24.35 H new ATOM 0 HB3 LYS A 37 -0.511 6.823 9.080 1.00 24.35 H new ATOM 0 HG2 LYS A 37 -1.412 8.234 6.540 1.00 34.33 H new ATOM 0 HG3 LYS A 37 -1.725 8.845 8.153 1.00 34.33 H new ATOM 0 HD2 LYS A 37 1.114 8.162 7.373 1.00 34.20 H new ATOM 0 HD3 LYS A 37 0.404 9.648 6.773 1.00 34.20 H new ATOM 0 HE2 LYS A 37 1.666 10.007 8.881 1.00 43.21 H new ATOM 0 HE3 LYS A 37 -0.024 10.440 9.046 1.00 43.21 H new ATOM 0 HZ1 LYS A 37 0.943 9.129 10.917 1.00 70.24 H new ATOM 0 HZ2 LYS A 37 -0.470 8.468 10.246 1.00 70.24 H new ATOM 0 HZ3 LYS A 37 1.043 7.795 9.872 1.00 70.24 H new ATOM 607 N ALA A 38 0.324 4.293 8.999 1.00 34.25 N ATOM 608 CA ALA A 38 0.336 3.036 9.755 1.00 42.31 C ATOM 609 C ALA A 38 -1.023 2.769 10.423 1.00 41.32 C ATOM 610 O ALA A 38 -1.725 3.699 10.836 1.00 72.10 O ATOM 611 CB ALA A 38 1.445 3.055 10.801 1.00 53.22 C ATOM 0 H ALA A 38 0.833 5.055 9.448 1.00 34.25 H new ATOM 0 HA ALA A 38 0.528 2.226 9.051 1.00 42.31 H new ATOM 0 HB1 ALA A 38 1.440 2.115 11.353 1.00 53.22 H new ATOM 0 HB2 ALA A 38 2.409 3.181 10.307 1.00 53.22 H new ATOM 0 HB3 ALA A 38 1.280 3.882 11.491 1.00 53.22 H new ATOM 617 N GLY A 39 -1.390 1.497 10.528 1.00 52.13 N ATOM 618 CA GLY A 39 -2.681 1.131 11.104 1.00 71.54 C ATOM 619 C GLY A 39 -3.805 1.097 10.074 1.00 41.45 C ATOM 620 O GLY A 39 -4.899 0.603 10.354 1.00 22.31 O ATOM 0 H GLY A 39 -0.819 0.708 10.225 1.00 52.13 H new ATOM 0 HA2 GLY A 39 -2.598 0.152 11.575 1.00 71.54 H new ATOM 0 HA3 GLY A 39 -2.937 1.842 11.890 1.00 71.54 H new ATOM 624 N GLU A 40 -3.538 1.635 8.886 1.00 43.32 N ATOM 625 CA GLU A 40 -4.511 1.614 7.792 1.00 61.22 C ATOM 626 C GLU A 40 -4.772 0.184 7.305 1.00 54.54 C ATOM 627 O GLU A 40 -3.886 -0.673 7.351 1.00 21.45 O ATOM 628 CB GLU A 40 -4.022 2.474 6.621 1.00 41.00 C ATOM 629 CG GLU A 40 -3.967 3.967 6.929 1.00 23.44 C ATOM 630 CD GLU A 40 -5.323 4.539 7.308 1.00 3.43 C ATOM 631 OE1 GLU A 40 -6.256 4.477 6.478 1.00 75.41 O ATOM 632 OE2 GLU A 40 -5.464 5.063 8.434 1.00 52.23 O ATOM 0 H GLU A 40 -2.656 2.092 8.655 1.00 43.32 H new ATOM 0 HA GLU A 40 -5.445 2.024 8.176 1.00 61.22 H new ATOM 0 HB2 GLU A 40 -3.028 2.137 6.326 1.00 41.00 H new ATOM 0 HB3 GLU A 40 -4.679 2.314 5.766 1.00 41.00 H new ATOM 0 HG2 GLU A 40 -3.264 4.140 7.744 1.00 23.44 H new ATOM 0 HG3 GLU A 40 -3.583 4.499 6.059 1.00 23.44 H new ATOM 639 N ILE A 41 -5.991 -0.063 6.838 1.00 42.44 N ATOM 640 CA ILE A 41 -6.376 -1.380 6.331 1.00 74.42 C ATOM 641 C ILE A 41 -6.552 -1.342 4.798 1.00 52.23 C ATOM 642 O ILE A 41 -7.620 -0.995 4.282 1.00 62.01 O ATOM 643 CB ILE A 41 -7.679 -1.874 7.014 1.00 41.13 C ATOM 644 CG1 ILE A 41 -7.575 -1.735 8.548 1.00 32.21 C ATOM 645 CG2 ILE A 41 -7.971 -3.322 6.635 1.00 71.32 C ATOM 646 CD1 ILE A 41 -6.425 -2.515 9.158 1.00 23.21 C ATOM 0 H ILE A 41 -6.735 0.634 6.799 1.00 42.44 H new ATOM 0 HA ILE A 41 -5.577 -2.082 6.570 1.00 74.42 H new ATOM 0 HB ILE A 41 -8.502 -1.251 6.663 1.00 41.13 H new ATOM 0 HG12 ILE A 41 -7.461 -0.681 8.801 1.00 32.21 H new ATOM 0 HG13 ILE A 41 -8.509 -2.072 8.998 1.00 32.21 H new ATOM 0 HG21 ILE A 41 -8.889 -3.648 7.125 1.00 71.32 H new ATOM 0 HG22 ILE A 41 -8.089 -3.398 5.554 1.00 71.32 H new ATOM 0 HG23 ILE A 41 -7.144 -3.956 6.955 1.00 71.32 H new ATOM 0 HD11 ILE A 41 -6.418 -2.367 10.238 1.00 23.21 H new ATOM 0 HD12 ILE A 41 -6.547 -3.575 8.937 1.00 23.21 H new ATOM 0 HD13 ILE A 41 -5.483 -2.163 8.737 1.00 23.21 H new ATOM 658 N ILE A 42 -5.485 -1.707 4.084 1.00 30.33 N ATOM 659 CA ILE A 42 -5.407 -1.541 2.622 1.00 1.04 C ATOM 660 C ILE A 42 -5.888 -2.793 1.870 1.00 31.10 C ATOM 661 O ILE A 42 -5.558 -3.916 2.243 1.00 22.44 O ATOM 662 CB ILE A 42 -3.946 -1.239 2.168 1.00 23.42 C ATOM 663 CG1 ILE A 42 -3.362 -0.021 2.910 1.00 73.43 C ATOM 664 CG2 ILE A 42 -3.878 -1.022 0.656 1.00 41.13 C ATOM 665 CD1 ILE A 42 -2.884 -0.321 4.317 1.00 13.11 C ATOM 0 H ILE A 42 -4.651 -2.125 4.496 1.00 30.33 H new ATOM 0 HA ILE A 42 -6.060 -0.703 2.380 1.00 1.04 H new ATOM 0 HB ILE A 42 -3.341 -2.109 2.423 1.00 23.42 H new ATOM 0 HG12 ILE A 42 -2.528 0.377 2.332 1.00 73.43 H new ATOM 0 HG13 ILE A 42 -4.120 0.761 2.955 1.00 73.43 H new ATOM 0 HG21 ILE A 42 -2.849 -0.813 0.364 1.00 41.13 H new ATOM 0 HG22 ILE A 42 -4.225 -1.919 0.144 1.00 41.13 H new ATOM 0 HG23 ILE A 42 -4.511 -0.179 0.381 1.00 41.13 H new ATOM 0 HD11 ILE A 42 -2.488 0.589 4.768 1.00 13.11 H new ATOM 0 HD12 ILE A 42 -3.718 -0.689 4.914 1.00 13.11 H new ATOM 0 HD13 ILE A 42 -2.101 -1.079 4.282 1.00 13.11 H new ATOM 677 N THR A 43 -6.657 -2.604 0.798 1.00 3.45 N ATOM 678 CA THR A 43 -7.051 -3.732 -0.061 1.00 32.40 C ATOM 679 C THR A 43 -6.040 -3.914 -1.198 1.00 53.11 C ATOM 680 O THR A 43 -5.999 -3.110 -2.129 1.00 20.00 O ATOM 681 CB THR A 43 -8.450 -3.528 -0.702 1.00 42.34 C ATOM 682 OG1 THR A 43 -9.407 -3.128 0.283 1.00 52.24 O ATOM 683 CG2 THR A 43 -8.936 -4.807 -1.379 1.00 62.13 C ATOM 0 H THR A 43 -7.018 -1.697 0.502 1.00 3.45 H new ATOM 0 HA THR A 43 -7.081 -4.611 0.583 1.00 32.40 H new ATOM 0 HB THR A 43 -8.352 -2.743 -1.451 1.00 42.34 H new ATOM 0 HG1 THR A 43 -10.285 -3.019 -0.139 1.00 52.24 H new ATOM 0 HG21 THR A 43 -9.918 -4.635 -1.819 1.00 62.13 H new ATOM 0 HG22 THR A 43 -8.233 -5.094 -2.161 1.00 62.13 H new ATOM 0 HG23 THR A 43 -9.004 -5.606 -0.641 1.00 62.13 H new ATOM 691 N VAL A 44 -5.222 -4.961 -1.138 1.00 52.21 N ATOM 692 CA VAL A 44 -4.272 -5.225 -2.220 1.00 11.32 C ATOM 693 C VAL A 44 -4.989 -5.862 -3.424 1.00 30.44 C ATOM 694 O VAL A 44 -5.316 -7.049 -3.425 1.00 3.21 O ATOM 695 CB VAL A 44 -3.069 -6.093 -1.749 1.00 11.41 C ATOM 696 CG1 VAL A 44 -3.531 -7.389 -1.082 1.00 61.45 C ATOM 697 CG2 VAL A 44 -2.120 -6.378 -2.914 1.00 42.35 C ATOM 0 H VAL A 44 -5.195 -5.630 -0.369 1.00 52.21 H new ATOM 0 HA VAL A 44 -3.858 -4.267 -2.534 1.00 11.32 H new ATOM 0 HB VAL A 44 -2.524 -5.523 -0.997 1.00 11.41 H new ATOM 0 HG11 VAL A 44 -2.662 -7.966 -0.768 1.00 61.45 H new ATOM 0 HG12 VAL A 44 -4.143 -7.152 -0.212 1.00 61.45 H new ATOM 0 HG13 VAL A 44 -4.118 -7.974 -1.790 1.00 61.45 H new ATOM 0 HG21 VAL A 44 -1.286 -6.986 -2.564 1.00 42.35 H new ATOM 0 HG22 VAL A 44 -2.656 -6.914 -3.697 1.00 42.35 H new ATOM 0 HG23 VAL A 44 -1.741 -5.437 -3.313 1.00 42.35 H new ATOM 707 N LEU A 45 -5.254 -5.042 -4.439 1.00 12.34 N ATOM 708 CA LEU A 45 -6.035 -5.468 -5.606 1.00 54.42 C ATOM 709 C LEU A 45 -5.203 -6.357 -6.538 1.00 1.13 C ATOM 710 O LEU A 45 -5.702 -7.342 -7.086 1.00 25.44 O ATOM 711 CB LEU A 45 -6.542 -4.238 -6.374 1.00 75.53 C ATOM 712 CG LEU A 45 -7.398 -3.252 -5.555 1.00 14.24 C ATOM 713 CD1 LEU A 45 -7.737 -2.014 -6.384 1.00 60.02 C ATOM 714 CD2 LEU A 45 -8.668 -3.934 -5.047 1.00 51.40 C ATOM 0 H LEU A 45 -4.939 -4.073 -4.480 1.00 12.34 H new ATOM 0 HA LEU A 45 -6.884 -6.051 -5.250 1.00 54.42 H new ATOM 0 HB2 LEU A 45 -5.682 -3.701 -6.773 1.00 75.53 H new ATOM 0 HB3 LEU A 45 -7.128 -4.580 -7.227 1.00 75.53 H new ATOM 0 HG LEU A 45 -6.818 -2.930 -4.690 1.00 14.24 H new ATOM 0 HD11 LEU A 45 -8.342 -1.331 -5.787 1.00 60.02 H new ATOM 0 HD12 LEU A 45 -6.816 -1.515 -6.685 1.00 60.02 H new ATOM 0 HD13 LEU A 45 -8.295 -2.312 -7.271 1.00 60.02 H new ATOM 0 HD21 LEU A 45 -9.258 -3.221 -4.471 1.00 51.40 H new ATOM 0 HD22 LEU A 45 -9.254 -4.290 -5.895 1.00 51.40 H new ATOM 0 HD23 LEU A 45 -8.399 -4.778 -4.412 1.00 51.40 H new ATOM 726 N ASP A 46 -3.929 -6.006 -6.703 1.00 74.21 N ATOM 727 CA ASP A 46 -3.019 -6.773 -7.553 1.00 63.44 C ATOM 728 C ASP A 46 -1.710 -7.072 -6.812 1.00 53.21 C ATOM 729 O ASP A 46 -1.033 -6.162 -6.337 1.00 34.32 O ATOM 730 CB ASP A 46 -2.735 -6.009 -8.849 1.00 14.31 C ATOM 731 CG ASP A 46 -1.985 -6.860 -9.856 1.00 53.03 C ATOM 732 OD1 ASP A 46 -2.606 -7.772 -10.440 1.00 43.33 O ATOM 733 OD2 ASP A 46 -0.778 -6.632 -10.065 1.00 33.43 O ATOM 0 H ASP A 46 -3.502 -5.193 -6.258 1.00 74.21 H new ATOM 0 HA ASP A 46 -3.496 -7.721 -7.802 1.00 63.44 H new ATOM 0 HB2 ASP A 46 -3.676 -5.674 -9.286 1.00 14.31 H new ATOM 0 HB3 ASP A 46 -2.152 -5.116 -8.623 1.00 14.31 H new ATOM 738 N ASP A 47 -1.370 -8.350 -6.712 1.00 42.13 N ATOM 739 CA ASP A 47 -0.169 -8.782 -5.995 1.00 14.12 C ATOM 740 C ASP A 47 0.603 -9.840 -6.800 1.00 10.24 C ATOM 741 O ASP A 47 1.211 -10.749 -6.231 1.00 25.42 O ATOM 742 CB ASP A 47 -0.571 -9.331 -4.617 1.00 21.34 C ATOM 743 CG ASP A 47 -1.467 -10.555 -4.713 1.00 2.31 C ATOM 744 OD1 ASP A 47 -2.575 -10.448 -5.285 1.00 32.11 O ATOM 745 OD2 ASP A 47 -1.072 -11.630 -4.215 1.00 55.54 O ATOM 0 H ASP A 47 -1.910 -9.113 -7.120 1.00 42.13 H new ATOM 0 HA ASP A 47 0.492 -7.926 -5.862 1.00 14.12 H new ATOM 0 HB2 ASP A 47 0.328 -9.587 -4.056 1.00 21.34 H new ATOM 0 HB3 ASP A 47 -1.086 -8.551 -4.056 1.00 21.34 H new ATOM 750 N SER A 48 0.597 -9.693 -8.131 1.00 62.32 N ATOM 751 CA SER A 48 1.250 -10.659 -9.036 1.00 42.12 C ATOM 752 C SER A 48 2.677 -10.991 -8.578 1.00 60.14 C ATOM 753 O SER A 48 3.057 -12.162 -8.498 1.00 51.30 O ATOM 754 CB SER A 48 1.284 -10.120 -10.477 1.00 23.42 C ATOM 755 OG SER A 48 1.873 -11.058 -11.367 1.00 4.23 O ATOM 0 H SER A 48 0.147 -8.913 -8.610 1.00 62.32 H new ATOM 0 HA SER A 48 0.659 -11.574 -9.007 1.00 42.12 H new ATOM 0 HB2 SER A 48 0.270 -9.891 -10.806 1.00 23.42 H new ATOM 0 HB3 SER A 48 1.846 -9.187 -10.505 1.00 23.42 H new ATOM 0 HG SER A 48 1.879 -10.688 -12.275 1.00 4.23 H new ATOM 761 N ASP A 49 3.459 -9.960 -8.268 1.00 22.40 N ATOM 762 CA ASP A 49 4.821 -10.141 -7.759 1.00 4.03 C ATOM 763 C ASP A 49 4.947 -9.589 -6.326 1.00 34.54 C ATOM 764 O ASP A 49 4.406 -8.531 -6.015 1.00 42.25 O ATOM 765 CB ASP A 49 5.827 -9.459 -8.694 1.00 43.13 C ATOM 766 CG ASP A 49 5.762 -10.027 -10.101 1.00 10.10 C ATOM 767 OD1 ASP A 49 6.223 -11.169 -10.307 1.00 61.33 O ATOM 768 OD2 ASP A 49 5.256 -9.335 -11.010 1.00 50.41 O ATOM 0 H ASP A 49 3.173 -8.985 -8.360 1.00 22.40 H new ATOM 0 HA ASP A 49 5.042 -11.208 -7.728 1.00 4.03 H new ATOM 0 HB2 ASP A 49 5.627 -8.388 -8.725 1.00 43.13 H new ATOM 0 HB3 ASP A 49 6.835 -9.584 -8.298 1.00 43.13 H new ATOM 773 N PRO A 50 5.680 -10.298 -5.437 1.00 23.42 N ATOM 774 CA PRO A 50 5.754 -9.957 -3.998 1.00 35.40 C ATOM 775 C PRO A 50 6.267 -8.530 -3.710 1.00 20.31 C ATOM 776 O PRO A 50 5.894 -7.921 -2.708 1.00 74.42 O ATOM 777 CB PRO A 50 6.729 -11.004 -3.427 1.00 55.33 C ATOM 778 CG PRO A 50 7.470 -11.530 -4.611 1.00 64.32 C ATOM 779 CD PRO A 50 6.498 -11.482 -5.756 1.00 71.34 C ATOM 0 HA PRO A 50 4.761 -9.973 -3.548 1.00 35.40 H new ATOM 0 HB2 PRO A 50 7.410 -10.556 -2.703 1.00 55.33 H new ATOM 0 HB3 PRO A 50 6.194 -11.801 -2.911 1.00 55.33 H new ATOM 0 HG2 PRO A 50 8.352 -10.925 -4.821 1.00 64.32 H new ATOM 0 HG3 PRO A 50 7.817 -12.548 -4.435 1.00 64.32 H new ATOM 0 HD2 PRO A 50 7.006 -11.377 -6.714 1.00 71.34 H new ATOM 0 HD3 PRO A 50 5.894 -12.388 -5.813 1.00 71.34 H new ATOM 787 N ASN A 51 7.120 -8.002 -4.584 1.00 34.53 N ATOM 788 CA ASN A 51 7.725 -6.678 -4.374 1.00 3.24 C ATOM 789 C ASN A 51 6.936 -5.560 -5.078 1.00 73.33 C ATOM 790 O ASN A 51 7.290 -4.385 -4.980 1.00 71.23 O ATOM 791 CB ASN A 51 9.181 -6.683 -4.859 1.00 62.13 C ATOM 792 CG ASN A 51 10.029 -7.712 -4.128 1.00 55.31 C ATOM 793 OD1 ASN A 51 9.554 -8.778 -3.751 1.00 34.53 O ATOM 794 ND2 ASN A 51 11.288 -7.401 -3.915 1.00 42.34 N ATOM 0 H ASN A 51 7.411 -8.465 -5.445 1.00 34.53 H new ATOM 0 HA ASN A 51 7.696 -6.471 -3.304 1.00 3.24 H new ATOM 0 HB2 ASN A 51 9.205 -6.890 -5.929 1.00 62.13 H new ATOM 0 HB3 ASN A 51 9.613 -5.692 -4.716 1.00 62.13 H new ATOM 0 HD21 ASN A 51 11.899 -8.054 -3.424 1.00 42.34 H new ATOM 0 HD22 ASN A 51 11.654 -6.507 -4.241 1.00 42.34 H new ATOM 801 N TRP A 52 5.864 -5.925 -5.780 1.00 25.54 N ATOM 802 CA TRP A 52 5.040 -4.945 -6.505 1.00 34.24 C ATOM 803 C TRP A 52 3.543 -5.185 -6.271 1.00 75.42 C ATOM 804 O TRP A 52 2.881 -5.888 -7.033 1.00 42.32 O ATOM 805 CB TRP A 52 5.359 -4.972 -8.007 1.00 41.23 C ATOM 806 CG TRP A 52 6.752 -4.511 -8.321 1.00 64.21 C ATOM 807 CD1 TRP A 52 7.853 -5.294 -8.531 1.00 60.25 C ATOM 808 CD2 TRP A 52 7.196 -3.153 -8.444 1.00 12.41 C ATOM 809 NE1 TRP A 52 8.950 -4.506 -8.780 1.00 30.23 N ATOM 810 CE2 TRP A 52 8.572 -3.190 -8.734 1.00 43.24 C ATOM 811 CE3 TRP A 52 6.562 -1.911 -8.341 1.00 61.01 C ATOM 812 CZ2 TRP A 52 9.326 -2.035 -8.917 1.00 31.45 C ATOM 813 CZ3 TRP A 52 7.312 -0.764 -8.526 1.00 5.11 C ATOM 814 CH2 TRP A 52 8.680 -0.833 -8.812 1.00 71.12 C ATOM 0 H TRP A 52 5.542 -6.889 -5.865 1.00 25.54 H new ATOM 0 HA TRP A 52 5.285 -3.957 -6.114 1.00 34.24 H new ATOM 0 HB2 TRP A 52 5.225 -5.986 -8.383 1.00 41.23 H new ATOM 0 HB3 TRP A 52 4.646 -4.340 -8.535 1.00 41.23 H new ATOM 0 HD1 TRP A 52 7.859 -6.374 -8.505 1.00 60.25 H new ATOM 0 HE1 TRP A 52 9.893 -4.846 -8.969 1.00 30.23 H new ATOM 0 HE3 TRP A 52 5.506 -1.849 -8.121 1.00 61.01 H new ATOM 0 HZ2 TRP A 52 10.383 -2.085 -9.134 1.00 31.45 H new ATOM 0 HZ3 TRP A 52 6.834 0.201 -8.448 1.00 5.11 H new ATOM 0 HH2 TRP A 52 9.238 0.081 -8.953 1.00 71.12 H new ATOM 825 N TRP A 53 3.030 -4.609 -5.188 1.00 61.33 N ATOM 826 CA TRP A 53 1.613 -4.724 -4.828 1.00 30.13 C ATOM 827 C TRP A 53 0.858 -3.411 -5.081 1.00 53.42 C ATOM 828 O TRP A 53 1.332 -2.330 -4.722 1.00 71.34 O ATOM 829 CB TRP A 53 1.466 -5.113 -3.348 1.00 31.05 C ATOM 830 CG TRP A 53 1.873 -6.524 -3.025 1.00 70.54 C ATOM 831 CD1 TRP A 53 2.441 -7.436 -3.868 1.00 55.05 C ATOM 832 CD2 TRP A 53 1.730 -7.186 -1.759 1.00 71.12 C ATOM 833 NE1 TRP A 53 2.655 -8.622 -3.208 1.00 63.04 N ATOM 834 CE2 TRP A 53 2.226 -8.493 -1.912 1.00 32.15 C ATOM 835 CE3 TRP A 53 1.224 -6.798 -0.511 1.00 43.42 C ATOM 836 CZ2 TRP A 53 2.240 -9.414 -0.864 1.00 32.33 C ATOM 837 CZ3 TRP A 53 1.236 -7.715 0.526 1.00 63.52 C ATOM 838 CH2 TRP A 53 1.738 -9.009 0.343 1.00 64.21 C ATOM 0 H TRP A 53 3.579 -4.050 -4.535 1.00 61.33 H new ATOM 0 HA TRP A 53 1.180 -5.501 -5.459 1.00 30.13 H new ATOM 0 HB2 TRP A 53 2.065 -4.430 -2.746 1.00 31.05 H new ATOM 0 HB3 TRP A 53 0.427 -4.972 -3.051 1.00 31.05 H new ATOM 0 HD1 TRP A 53 2.686 -7.252 -4.903 1.00 55.05 H new ATOM 0 HE1 TRP A 53 3.066 -9.462 -3.616 1.00 63.04 H new ATOM 0 HE3 TRP A 53 0.832 -5.803 -0.361 1.00 43.42 H new ATOM 0 HZ2 TRP A 53 2.633 -10.411 -1.000 1.00 32.33 H new ATOM 0 HZ3 TRP A 53 0.851 -7.427 1.493 1.00 63.52 H new ATOM 0 HH2 TRP A 53 1.729 -9.702 1.171 1.00 64.21 H new ATOM 849 N LYS A 54 -0.316 -3.512 -5.705 1.00 35.42 N ATOM 850 CA LYS A 54 -1.198 -2.357 -5.901 1.00 20.42 C ATOM 851 C LYS A 54 -2.326 -2.368 -4.863 1.00 42.15 C ATOM 852 O LYS A 54 -3.179 -3.263 -4.861 1.00 15.21 O ATOM 853 CB LYS A 54 -1.792 -2.360 -7.318 1.00 22.45 C ATOM 854 CG LYS A 54 -2.616 -1.114 -7.647 1.00 72.12 C ATOM 855 CD LYS A 54 -3.253 -1.209 -9.034 1.00 34.04 C ATOM 856 CE LYS A 54 -4.286 -2.327 -9.106 1.00 41.33 C ATOM 857 NZ LYS A 54 -4.726 -2.586 -10.498 1.00 23.30 N ATOM 0 H LYS A 54 -0.681 -4.385 -6.086 1.00 35.42 H new ATOM 0 HA LYS A 54 -0.606 -1.451 -5.774 1.00 20.42 H new ATOM 0 HB2 LYS A 54 -0.981 -2.449 -8.041 1.00 22.45 H new ATOM 0 HB3 LYS A 54 -2.422 -3.242 -7.435 1.00 22.45 H new ATOM 0 HG2 LYS A 54 -3.396 -0.984 -6.896 1.00 72.12 H new ATOM 0 HG3 LYS A 54 -1.977 -0.232 -7.599 1.00 72.12 H new ATOM 0 HD2 LYS A 54 -3.727 -0.259 -9.282 1.00 34.04 H new ATOM 0 HD3 LYS A 54 -2.477 -1.382 -9.779 1.00 34.04 H new ATOM 0 HE2 LYS A 54 -3.864 -3.239 -8.683 1.00 41.33 H new ATOM 0 HE3 LYS A 54 -5.150 -2.063 -8.496 1.00 41.33 H new ATOM 0 HZ1 LYS A 54 -5.428 -3.353 -10.503 1.00 23.30 H new ATOM 0 HZ2 LYS A 54 -5.152 -1.724 -10.893 1.00 23.30 H new ATOM 0 HZ3 LYS A 54 -3.906 -2.863 -11.075 1.00 23.30 H new ATOM 871 N GLY A 55 -2.339 -1.365 -3.992 1.00 55.13 N ATOM 872 CA GLY A 55 -3.294 -1.342 -2.894 1.00 73.22 C ATOM 873 C GLY A 55 -4.365 -0.266 -3.023 1.00 71.52 C ATOM 874 O GLY A 55 -4.189 0.727 -3.729 1.00 74.22 O ATOM 0 H GLY A 55 -1.706 -0.566 -4.025 1.00 55.13 H new ATOM 0 HA2 GLY A 55 -3.779 -2.316 -2.828 1.00 73.22 H new ATOM 0 HA3 GLY A 55 -2.753 -1.191 -1.960 1.00 73.22 H new ATOM 878 N GLU A 56 -5.475 -0.483 -2.326 1.00 61.21 N ATOM 879 CA GLU A 56 -6.582 0.474 -2.267 1.00 4.34 C ATOM 880 C GLU A 56 -6.676 1.111 -0.875 1.00 63.12 C ATOM 881 O GLU A 56 -6.730 0.407 0.140 1.00 11.52 O ATOM 882 CB GLU A 56 -7.902 -0.234 -2.633 1.00 50.32 C ATOM 883 CG GLU A 56 -9.178 0.481 -2.159 1.00 64.11 C ATOM 884 CD GLU A 56 -9.905 -0.277 -1.046 1.00 71.21 C ATOM 885 OE1 GLU A 56 -9.599 -0.056 0.146 1.00 72.35 O ATOM 886 OE2 GLU A 56 -10.780 -1.114 -1.364 1.00 35.15 O ATOM 0 H GLU A 56 -5.636 -1.331 -1.782 1.00 61.21 H new ATOM 0 HA GLU A 56 -6.397 1.271 -2.987 1.00 4.34 H new ATOM 0 HB2 GLU A 56 -7.948 -0.346 -3.716 1.00 50.32 H new ATOM 0 HB3 GLU A 56 -7.888 -1.238 -2.209 1.00 50.32 H new ATOM 0 HG2 GLU A 56 -8.919 1.478 -1.804 1.00 64.11 H new ATOM 0 HG3 GLU A 56 -9.853 0.609 -3.005 1.00 64.11 H new ATOM 893 N THR A 57 -6.679 2.444 -0.829 1.00 12.44 N ATOM 894 CA THR A 57 -6.837 3.183 0.433 1.00 23.10 C ATOM 895 C THR A 57 -7.845 4.329 0.273 1.00 12.35 C ATOM 896 O THR A 57 -8.295 4.633 -0.837 1.00 63.04 O ATOM 897 CB THR A 57 -5.499 3.798 0.933 1.00 31.13 C ATOM 898 OG1 THR A 57 -5.162 4.960 0.158 1.00 70.55 O ATOM 899 CG2 THR A 57 -4.356 2.792 0.857 1.00 63.21 C ATOM 0 H THR A 57 -6.574 3.039 -1.651 1.00 12.44 H new ATOM 0 HA THR A 57 -7.191 2.455 1.162 1.00 23.10 H new ATOM 0 HB THR A 57 -5.641 4.080 1.976 1.00 31.13 H new ATOM 0 HG1 THR A 57 -5.080 4.711 -0.786 1.00 70.55 H new ATOM 0 HG21 THR A 57 -3.437 3.257 1.214 1.00 63.21 H new ATOM 0 HG22 THR A 57 -4.590 1.927 1.478 1.00 63.21 H new ATOM 0 HG23 THR A 57 -4.222 2.471 -0.176 1.00 63.21 H new ATOM 907 N HIS A 58 -8.179 4.979 1.386 1.00 34.32 N ATOM 908 CA HIS A 58 -9.053 6.155 1.363 1.00 51.44 C ATOM 909 C HIS A 58 -8.277 7.398 0.889 1.00 12.52 C ATOM 910 O HIS A 58 -8.858 8.458 0.641 1.00 71.04 O ATOM 911 CB HIS A 58 -9.642 6.395 2.760 1.00 14.32 C ATOM 912 CG HIS A 58 -10.588 7.556 2.837 1.00 51.22 C ATOM 913 ND1 HIS A 58 -10.329 8.687 3.577 1.00 30.50 N ATOM 914 CD2 HIS A 58 -11.799 7.751 2.271 1.00 54.20 C ATOM 915 CE1 HIS A 58 -11.338 9.522 3.465 1.00 33.41 C ATOM 916 NE2 HIS A 58 -12.241 8.981 2.680 1.00 25.24 N ATOM 0 H HIS A 58 -7.858 4.713 2.317 1.00 34.32 H new ATOM 0 HA HIS A 58 -9.867 5.972 0.661 1.00 51.44 H new ATOM 0 HB2 HIS A 58 -10.164 5.494 3.082 1.00 14.32 H new ATOM 0 HB3 HIS A 58 -8.825 6.559 3.463 1.00 14.32 H new ATOM 0 HD2 HIS A 58 -12.320 7.066 1.619 1.00 54.20 H new ATOM 0 HE1 HIS A 58 -11.412 10.490 3.939 1.00 33.41 H new ATOM 0 HE2 HIS A 58 -13.129 9.408 2.417 1.00 25.24 H new ATOM 925 N GLN A 59 -6.961 7.252 0.771 1.00 74.13 N ATOM 926 CA GLN A 59 -6.081 8.347 0.355 1.00 44.32 C ATOM 927 C GLN A 59 -5.664 8.217 -1.123 1.00 3.24 C ATOM 928 O GLN A 59 -5.285 9.203 -1.755 1.00 20.13 O ATOM 929 CB GLN A 59 -4.841 8.377 1.260 1.00 33.32 C ATOM 930 CG GLN A 59 -5.164 8.679 2.724 1.00 5.21 C ATOM 931 CD GLN A 59 -3.954 8.563 3.636 1.00 22.43 C ATOM 932 OE1 GLN A 59 -3.685 7.507 4.201 1.00 1.41 O ATOM 933 NE2 GLN A 59 -3.220 9.644 3.789 1.00 73.10 N ATOM 0 H GLN A 59 -6.473 6.376 0.959 1.00 74.13 H new ATOM 0 HA GLN A 59 -6.631 9.283 0.454 1.00 44.32 H new ATOM 0 HB2 GLN A 59 -4.333 7.415 1.199 1.00 33.32 H new ATOM 0 HB3 GLN A 59 -4.146 9.129 0.886 1.00 33.32 H new ATOM 0 HG2 GLN A 59 -5.574 9.686 2.799 1.00 5.21 H new ATOM 0 HG3 GLN A 59 -5.938 7.993 3.068 1.00 5.21 H new ATOM 0 HE21 GLN A 59 -3.473 10.505 3.304 1.00 73.10 H new ATOM 0 HE22 GLN A 59 -2.398 9.621 4.393 1.00 73.10 H new ATOM 942 N GLY A 60 -5.738 6.998 -1.666 1.00 63.33 N ATOM 943 CA GLY A 60 -5.402 6.778 -3.072 1.00 71.41 C ATOM 944 C GLY A 60 -5.173 5.309 -3.426 1.00 15.15 C ATOM 945 O GLY A 60 -5.312 4.425 -2.580 1.00 43.43 O ATOM 0 H GLY A 60 -6.024 6.160 -1.160 1.00 63.33 H new ATOM 0 HA2 GLY A 60 -6.206 7.172 -3.694 1.00 71.41 H new ATOM 0 HA3 GLY A 60 -4.504 7.345 -3.315 1.00 71.41 H new ATOM 949 N ILE A 61 -4.832 5.048 -4.690 1.00 13.13 N ATOM 950 CA ILE A 61 -4.532 3.689 -5.168 1.00 71.05 C ATOM 951 C ILE A 61 -3.231 3.681 -5.989 1.00 44.12 C ATOM 952 O ILE A 61 -3.057 4.492 -6.899 1.00 4.25 O ATOM 953 CB ILE A 61 -5.686 3.117 -6.041 1.00 33.21 C ATOM 954 CG1 ILE A 61 -6.995 3.059 -5.234 1.00 70.14 C ATOM 955 CG2 ILE A 61 -5.322 1.734 -6.589 1.00 54.11 C ATOM 956 CD1 ILE A 61 -8.181 2.530 -6.017 1.00 43.20 C ATOM 0 H ILE A 61 -4.755 5.766 -5.411 1.00 13.13 H new ATOM 0 HA ILE A 61 -4.418 3.058 -4.286 1.00 71.05 H new ATOM 0 HB ILE A 61 -5.836 3.785 -6.889 1.00 33.21 H new ATOM 0 HG12 ILE A 61 -6.842 2.429 -4.358 1.00 70.14 H new ATOM 0 HG13 ILE A 61 -7.230 4.059 -4.871 1.00 70.14 H new ATOM 0 HG21 ILE A 61 -6.144 1.355 -7.196 1.00 54.11 H new ATOM 0 HG22 ILE A 61 -4.424 1.810 -7.202 1.00 54.11 H new ATOM 0 HG23 ILE A 61 -5.138 1.051 -5.760 1.00 54.11 H new ATOM 0 HD11 ILE A 61 -9.064 2.521 -5.378 1.00 43.20 H new ATOM 0 HD12 ILE A 61 -8.364 3.172 -6.879 1.00 43.20 H new ATOM 0 HD13 ILE A 61 -7.969 1.517 -6.358 1.00 43.20 H new ATOM 968 N GLY A 62 -2.319 2.764 -5.667 1.00 44.21 N ATOM 969 CA GLY A 62 -1.041 2.698 -6.373 1.00 61.23 C ATOM 970 C GLY A 62 -0.124 1.594 -5.857 1.00 13.24 C ATOM 971 O GLY A 62 -0.561 0.706 -5.119 1.00 72.54 O ATOM 0 H GLY A 62 -2.439 2.066 -4.933 1.00 44.21 H new ATOM 0 HA2 GLY A 62 -1.228 2.539 -7.435 1.00 61.23 H new ATOM 0 HA3 GLY A 62 -0.532 3.657 -6.279 1.00 61.23 H new ATOM 975 N LEU A 63 1.152 1.659 -6.240 1.00 12.14 N ATOM 976 CA LEU A 63 2.146 0.649 -5.850 1.00 12.21 C ATOM 977 C LEU A 63 2.996 1.110 -4.652 1.00 23.24 C ATOM 978 O LEU A 63 3.186 2.307 -4.429 1.00 14.54 O ATOM 979 CB LEU A 63 3.073 0.338 -7.040 1.00 24.44 C ATOM 980 CG LEU A 63 2.378 -0.200 -8.305 1.00 75.54 C ATOM 981 CD1 LEU A 63 3.381 -0.381 -9.443 1.00 62.43 C ATOM 982 CD2 LEU A 63 1.671 -1.518 -8.010 1.00 24.12 C ATOM 0 H LEU A 63 1.527 2.406 -6.825 1.00 12.14 H new ATOM 0 HA LEU A 63 1.601 -0.247 -5.553 1.00 12.21 H new ATOM 0 HB2 LEU A 63 3.613 1.247 -7.303 1.00 24.44 H new ATOM 0 HB3 LEU A 63 3.816 -0.392 -6.717 1.00 24.44 H new ATOM 0 HG LEU A 63 1.634 0.533 -8.617 1.00 75.54 H new ATOM 0 HD11 LEU A 63 2.866 -0.762 -10.325 1.00 62.43 H new ATOM 0 HD12 LEU A 63 3.842 0.578 -9.678 1.00 62.43 H new ATOM 0 HD13 LEU A 63 4.152 -1.089 -9.139 1.00 62.43 H new ATOM 0 HD21 LEU A 63 1.186 -1.882 -8.916 1.00 24.12 H new ATOM 0 HD22 LEU A 63 2.400 -2.253 -7.668 1.00 24.12 H new ATOM 0 HD23 LEU A 63 0.921 -1.363 -7.234 1.00 24.12 H new ATOM 994 N PHE A 64 3.499 0.147 -3.879 1.00 21.35 N ATOM 995 CA PHE A 64 4.437 0.436 -2.781 1.00 54.12 C ATOM 996 C PHE A 64 5.581 -0.601 -2.741 1.00 74.32 C ATOM 997 O PHE A 64 5.499 -1.617 -2.047 1.00 21.02 O ATOM 998 CB PHE A 64 3.698 0.527 -1.428 1.00 32.10 C ATOM 999 CG PHE A 64 2.730 -0.602 -1.151 1.00 71.13 C ATOM 1000 CD1 PHE A 64 1.472 -0.614 -1.740 1.00 71.10 C ATOM 1001 CD2 PHE A 64 3.068 -1.636 -0.288 1.00 43.13 C ATOM 1002 CE1 PHE A 64 0.576 -1.632 -1.474 1.00 24.23 C ATOM 1003 CE2 PHE A 64 2.175 -2.655 -0.024 1.00 75.12 C ATOM 1004 CZ PHE A 64 0.929 -2.654 -0.616 1.00 52.11 C ATOM 0 H PHE A 64 3.276 -0.842 -3.989 1.00 21.35 H new ATOM 0 HA PHE A 64 4.888 1.410 -2.969 1.00 54.12 H new ATOM 0 HB2 PHE A 64 4.438 0.556 -0.628 1.00 32.10 H new ATOM 0 HB3 PHE A 64 3.153 1.470 -1.392 1.00 32.10 H new ATOM 0 HD1 PHE A 64 1.191 0.182 -2.414 1.00 71.10 H new ATOM 0 HD2 PHE A 64 4.040 -1.643 0.182 1.00 43.13 H new ATOM 0 HE1 PHE A 64 -0.400 -1.628 -1.937 1.00 24.23 H new ATOM 0 HE2 PHE A 64 2.452 -3.454 0.647 1.00 75.12 H new ATOM 0 HZ PHE A 64 0.231 -3.451 -0.409 1.00 52.11 H new ATOM 1014 N PRO A 65 6.668 -0.345 -3.505 1.00 32.01 N ATOM 1015 CA PRO A 65 7.783 -1.305 -3.701 1.00 22.31 C ATOM 1016 C PRO A 65 8.415 -1.845 -2.400 1.00 22.31 C ATOM 1017 O PRO A 65 8.815 -3.011 -2.336 1.00 43.03 O ATOM 1018 CB PRO A 65 8.818 -0.485 -4.489 1.00 41.35 C ATOM 1019 CG PRO A 65 8.019 0.560 -5.191 1.00 25.23 C ATOM 1020 CD PRO A 65 6.895 0.912 -4.256 1.00 64.24 C ATOM 0 HA PRO A 65 7.424 -2.204 -4.202 1.00 22.31 H new ATOM 0 HB2 PRO A 65 9.558 -0.038 -3.825 1.00 41.35 H new ATOM 0 HB3 PRO A 65 9.362 -1.110 -5.197 1.00 41.35 H new ATOM 0 HG2 PRO A 65 8.630 1.435 -5.415 1.00 25.23 H new ATOM 0 HG3 PRO A 65 7.636 0.187 -6.141 1.00 25.23 H new ATOM 0 HD2 PRO A 65 7.166 1.733 -3.593 1.00 64.24 H new ATOM 0 HD3 PRO A 65 6.002 1.223 -4.799 1.00 64.24 H new ATOM 1028 N SER A 66 8.527 -1.002 -1.373 1.00 33.02 N ATOM 1029 CA SER A 66 9.134 -1.422 -0.095 1.00 24.50 C ATOM 1030 C SER A 66 8.365 -2.579 0.566 1.00 74.44 C ATOM 1031 O SER A 66 8.948 -3.378 1.297 1.00 20.11 O ATOM 1032 CB SER A 66 9.215 -0.247 0.896 1.00 31.32 C ATOM 1033 OG SER A 66 10.079 0.780 0.430 1.00 62.50 O ATOM 0 H SER A 66 8.211 -0.032 -1.393 1.00 33.02 H new ATOM 0 HA SER A 66 10.139 -1.768 -0.338 1.00 24.50 H new ATOM 0 HB2 SER A 66 8.218 0.162 1.056 1.00 31.32 H new ATOM 0 HB3 SER A 66 9.569 -0.610 1.861 1.00 31.32 H new ATOM 0 HG SER A 66 10.103 1.509 1.084 1.00 62.50 H new ATOM 1039 N ASN A 67 7.057 -2.659 0.295 1.00 5.21 N ATOM 1040 CA ASN A 67 6.175 -3.657 0.920 1.00 1.54 C ATOM 1041 C ASN A 67 6.292 -3.616 2.458 1.00 40.33 C ATOM 1042 O ASN A 67 6.954 -4.450 3.080 1.00 72.15 O ATOM 1043 CB ASN A 67 6.468 -5.067 0.377 1.00 64.31 C ATOM 1044 CG ASN A 67 5.377 -6.076 0.723 1.00 2.33 C ATOM 1045 OD1 ASN A 67 4.710 -5.972 1.746 1.00 10.11 O ATOM 1046 ND2 ASN A 67 5.176 -7.052 -0.138 1.00 64.21 N ATOM 0 H ASN A 67 6.580 -2.039 -0.359 1.00 5.21 H new ATOM 0 HA ASN A 67 5.147 -3.406 0.660 1.00 1.54 H new ATOM 0 HB2 ASN A 67 6.580 -5.018 -0.706 1.00 64.31 H new ATOM 0 HB3 ASN A 67 7.419 -5.415 0.780 1.00 64.31 H new ATOM 0 HD21 ASN A 67 4.450 -7.746 0.038 1.00 64.21 H new ATOM 0 HD22 ASN A 67 5.746 -7.114 -0.981 1.00 64.21 H new ATOM 1053 N PHE A 68 5.657 -2.612 3.054 1.00 44.33 N ATOM 1054 CA PHE A 68 5.713 -2.380 4.505 1.00 54.20 C ATOM 1055 C PHE A 68 4.358 -2.683 5.171 1.00 54.42 C ATOM 1056 O PHE A 68 3.974 -2.047 6.158 1.00 73.13 O ATOM 1057 CB PHE A 68 6.135 -0.924 4.764 1.00 32.01 C ATOM 1058 CG PHE A 68 5.470 0.058 3.830 1.00 23.32 C ATOM 1059 CD1 PHE A 68 4.159 0.447 4.030 1.00 35.00 C ATOM 1060 CD2 PHE A 68 6.158 0.569 2.737 1.00 53.44 C ATOM 1061 CE1 PHE A 68 3.548 1.325 3.164 1.00 21.14 C ATOM 1062 CE2 PHE A 68 5.549 1.453 1.868 1.00 72.15 C ATOM 1063 CZ PHE A 68 4.240 1.830 2.082 1.00 41.51 C ATOM 0 H PHE A 68 5.087 -1.932 2.550 1.00 44.33 H new ATOM 0 HA PHE A 68 6.447 -3.055 4.945 1.00 54.20 H new ATOM 0 HB2 PHE A 68 5.893 -0.659 5.793 1.00 32.01 H new ATOM 0 HB3 PHE A 68 7.217 -0.841 4.659 1.00 32.01 H new ATOM 0 HD1 PHE A 68 3.609 0.058 4.874 1.00 35.00 H new ATOM 0 HD2 PHE A 68 7.182 0.271 2.565 1.00 53.44 H new ATOM 0 HE1 PHE A 68 2.523 1.620 3.332 1.00 21.14 H new ATOM 0 HE2 PHE A 68 6.096 1.847 1.024 1.00 72.15 H new ATOM 0 HZ PHE A 68 3.757 2.519 1.404 1.00 41.51 H new ATOM 1073 N VAL A 69 3.645 -3.664 4.628 1.00 73.42 N ATOM 1074 CA VAL A 69 2.337 -4.071 5.154 1.00 13.53 C ATOM 1075 C VAL A 69 2.317 -5.574 5.479 1.00 44.31 C ATOM 1076 O VAL A 69 3.124 -6.343 4.953 1.00 70.20 O ATOM 1077 CB VAL A 69 1.201 -3.746 4.148 1.00 51.55 C ATOM 1078 CG1 VAL A 69 1.116 -2.241 3.891 1.00 2.40 C ATOM 1079 CG2 VAL A 69 1.404 -4.505 2.838 1.00 31.34 C ATOM 0 H VAL A 69 3.951 -4.200 3.816 1.00 73.42 H new ATOM 0 HA VAL A 69 2.168 -3.506 6.071 1.00 13.53 H new ATOM 0 HB VAL A 69 0.258 -4.070 4.588 1.00 51.55 H new ATOM 0 HG11 VAL A 69 0.313 -2.038 3.183 1.00 2.40 H new ATOM 0 HG12 VAL A 69 0.913 -1.723 4.828 1.00 2.40 H new ATOM 0 HG13 VAL A 69 2.061 -1.888 3.478 1.00 2.40 H new ATOM 0 HG21 VAL A 69 0.596 -4.262 2.148 1.00 31.34 H new ATOM 0 HG22 VAL A 69 2.358 -4.218 2.395 1.00 31.34 H new ATOM 0 HG23 VAL A 69 1.403 -5.577 3.035 1.00 31.34 H new ATOM 1089 N THR A 70 1.394 -5.989 6.342 1.00 35.13 N ATOM 1090 CA THR A 70 1.295 -7.402 6.740 1.00 23.14 C ATOM 1091 C THR A 70 -0.159 -7.890 6.753 1.00 44.22 C ATOM 1092 O THR A 70 -1.094 -7.095 6.881 1.00 1.13 O ATOM 1093 CB THR A 70 1.921 -7.647 8.136 1.00 4.33 C ATOM 1094 OG1 THR A 70 1.887 -9.048 8.454 1.00 64.21 O ATOM 1095 CG2 THR A 70 1.192 -6.858 9.222 1.00 32.13 C ATOM 0 H THR A 70 0.706 -5.377 6.780 1.00 35.13 H new ATOM 0 HA THR A 70 1.852 -7.968 5.993 1.00 23.14 H new ATOM 0 HB THR A 70 2.955 -7.304 8.100 1.00 4.33 H new ATOM 0 HG1 THR A 70 2.286 -9.193 9.337 1.00 64.21 H new ATOM 0 HG21 THR A 70 1.657 -7.053 10.188 1.00 32.13 H new ATOM 0 HG22 THR A 70 1.251 -5.793 9.000 1.00 32.13 H new ATOM 0 HG23 THR A 70 0.146 -7.164 9.254 1.00 32.13 H new ATOM 1103 N ALA A 71 -0.343 -9.203 6.626 1.00 33.05 N ATOM 1104 CA ALA A 71 -1.682 -9.802 6.581 1.00 22.34 C ATOM 1105 C ALA A 71 -1.841 -10.917 7.627 1.00 3.14 C ATOM 1106 O ALA A 71 -1.303 -12.014 7.468 1.00 45.11 O ATOM 1107 CB ALA A 71 -1.961 -10.352 5.183 1.00 24.41 C ATOM 0 H ALA A 71 0.419 -9.877 6.552 1.00 33.05 H new ATOM 0 HA ALA A 71 -2.405 -9.021 6.816 1.00 22.34 H new ATOM 0 HB1 ALA A 71 -2.957 -10.795 5.158 1.00 24.41 H new ATOM 0 HB2 ALA A 71 -1.906 -9.542 4.456 1.00 24.41 H new ATOM 0 HB3 ALA A 71 -1.220 -11.112 4.936 1.00 24.41 H new