USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=7 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 Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= 0.743 USER MOD Single : A 58 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.0051) USER MOD Single : A 59 GLN : amide:sc= -0.247 K(o=-0.25,f=-3.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.219 X(o=0.22,f=0.093) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -7.335 -9.413 -1.005 1.00 25.30 N ATOM 274 CA ARG A 18 -6.838 -9.579 0.365 1.00 4.14 C ATOM 275 C ARG A 18 -6.442 -8.232 0.999 1.00 20.22 C ATOM 276 O ARG A 18 -5.837 -7.373 0.354 1.00 13.42 O ATOM 277 CB ARG A 18 -5.656 -10.564 0.373 1.00 61.43 C ATOM 278 CG ARG A 18 -4.360 -10.000 -0.212 1.00 74.40 C ATOM 279 CD ARG A 18 -3.534 -11.066 -0.929 1.00 22.35 C ATOM 280 NE ARG A 18 -4.091 -11.386 -2.244 1.00 40.02 N ATOM 281 CZ ARG A 18 -3.992 -12.550 -2.828 1.00 74.22 C ATOM 282 NH1 ARG A 18 -3.405 -13.540 -2.242 1.00 11.23 N ATOM 283 NH2 ARG A 18 -4.480 -12.716 -4.013 1.00 50.22 N ATOM 0 HA ARG A 18 -7.645 -9.987 0.973 1.00 4.14 H new ATOM 0 HB2 ARG A 18 -5.470 -10.881 1.399 1.00 61.43 H new ATOM 0 HB3 ARG A 18 -5.937 -11.454 -0.189 1.00 61.43 H new ATOM 0 HG2 ARG A 18 -4.598 -9.198 -0.911 1.00 74.40 H new ATOM 0 HG3 ARG A 18 -3.765 -9.560 0.588 1.00 74.40 H new ATOM 0 HD2 ARG A 18 -2.508 -10.716 -1.043 1.00 22.35 H new ATOM 0 HD3 ARG A 18 -3.497 -11.969 -0.320 1.00 22.35 H new ATOM 0 HE ARG A 18 -4.592 -10.648 -2.739 1.00 40.02 H new ATOM 0 HH11 ARG A 18 -3.010 -13.419 -1.309 1.00 11.23 H new ATOM 0 HH12 ARG A 18 -3.336 -14.443 -2.712 1.00 11.23 H new ATOM 0 HH21 ARG A 18 -4.940 -11.940 -4.488 1.00 50.22 H new ATOM 0 HH22 ARG A 18 -4.405 -13.623 -4.473 1.00 50.22 H new ATOM 297 N LYS A 19 -6.801 -8.055 2.267 1.00 12.30 N ATOM 298 CA LYS A 19 -6.521 -6.810 2.990 1.00 22.33 C ATOM 299 C LYS A 19 -5.311 -6.962 3.927 1.00 50.24 C ATOM 300 O LYS A 19 -5.177 -7.966 4.628 1.00 15.22 O ATOM 301 CB LYS A 19 -7.755 -6.383 3.795 1.00 51.14 C ATOM 302 CG LYS A 19 -8.974 -6.063 2.932 1.00 3.41 C ATOM 303 CD LYS A 19 -10.178 -5.650 3.776 1.00 52.24 C ATOM 304 CE LYS A 19 -10.710 -6.807 4.616 1.00 11.52 C ATOM 305 NZ LYS A 19 -11.807 -6.377 5.524 1.00 41.40 N ATOM 0 H LYS A 19 -7.289 -8.759 2.821 1.00 12.30 H new ATOM 0 HA LYS A 19 -6.282 -6.042 2.254 1.00 22.33 H new ATOM 0 HB2 LYS A 19 -8.015 -7.179 4.493 1.00 51.14 H new ATOM 0 HB3 LYS A 19 -7.503 -5.506 4.391 1.00 51.14 H new ATOM 0 HG2 LYS A 19 -8.726 -5.261 2.237 1.00 3.41 H new ATOM 0 HG3 LYS A 19 -9.233 -6.936 2.332 1.00 3.41 H new ATOM 0 HD2 LYS A 19 -9.896 -4.826 4.431 1.00 52.24 H new ATOM 0 HD3 LYS A 19 -10.969 -5.282 3.123 1.00 52.24 H new ATOM 0 HE2 LYS A 19 -11.073 -7.596 3.958 1.00 11.52 H new ATOM 0 HE3 LYS A 19 -9.897 -7.231 5.205 1.00 11.52 H new ATOM 0 HZ1 LYS A 19 -12.140 -7.193 6.077 1.00 41.40 H new ATOM 0 HZ2 LYS A 19 -11.455 -5.642 6.170 1.00 41.40 H new ATOM 0 HZ3 LYS A 19 -12.594 -5.996 4.961 1.00 41.40 H new ATOM 319 N VAL A 20 -4.443 -5.951 3.942 1.00 73.33 N ATOM 320 CA VAL A 20 -3.230 -5.969 4.769 1.00 32.23 C ATOM 321 C VAL A 20 -3.153 -4.742 5.701 1.00 41.44 C ATOM 322 O VAL A 20 -3.591 -3.646 5.350 1.00 33.01 O ATOM 323 CB VAL A 20 -1.949 -6.025 3.891 1.00 34.55 C ATOM 324 CG1 VAL A 20 -1.881 -7.337 3.107 1.00 62.33 C ATOM 325 CG2 VAL A 20 -1.887 -4.827 2.942 1.00 1.53 C ATOM 0 H VAL A 20 -4.556 -5.102 3.388 1.00 73.33 H new ATOM 0 HA VAL A 20 -3.286 -6.869 5.381 1.00 32.23 H new ATOM 0 HB VAL A 20 -1.085 -5.980 4.554 1.00 34.55 H new ATOM 0 HG11 VAL A 20 -0.976 -7.352 2.500 1.00 62.33 H new ATOM 0 HG12 VAL A 20 -1.866 -8.176 3.803 1.00 62.33 H new ATOM 0 HG13 VAL A 20 -2.753 -7.419 2.459 1.00 62.33 H new ATOM 0 HG21 VAL A 20 -0.982 -4.888 2.338 1.00 1.53 H new ATOM 0 HG22 VAL A 20 -2.760 -4.834 2.289 1.00 1.53 H new ATOM 0 HG23 VAL A 20 -1.875 -3.904 3.522 1.00 1.53 H new ATOM 335 N ARG A 21 -2.597 -4.946 6.892 1.00 62.24 N ATOM 336 CA ARG A 21 -2.449 -3.878 7.889 1.00 22.14 C ATOM 337 C ARG A 21 -1.086 -3.175 7.760 1.00 2.45 C ATOM 338 O ARG A 21 -0.036 -3.814 7.836 1.00 2.20 O ATOM 339 CB ARG A 21 -2.605 -4.473 9.297 1.00 21.14 C ATOM 340 CG ARG A 21 -2.369 -3.480 10.432 1.00 62.44 C ATOM 341 CD ARG A 21 -2.538 -4.132 11.805 1.00 51.31 C ATOM 342 NE ARG A 21 -1.627 -5.262 12.007 1.00 65.52 N ATOM 343 CZ ARG A 21 -1.013 -5.519 13.133 1.00 61.14 C ATOM 344 NH1 ARG A 21 -1.200 -4.777 14.176 1.00 70.54 N ATOM 345 NH2 ARG A 21 -0.227 -6.541 13.222 1.00 32.54 N ATOM 0 H ARG A 21 -2.236 -5.850 7.197 1.00 62.24 H new ATOM 0 HA ARG A 21 -3.224 -3.132 7.715 1.00 22.14 H new ATOM 0 HB2 ARG A 21 -3.609 -4.885 9.395 1.00 21.14 H new ATOM 0 HB3 ARG A 21 -1.907 -5.303 9.406 1.00 21.14 H new ATOM 0 HG2 ARG A 21 -1.364 -3.065 10.348 1.00 62.44 H new ATOM 0 HG3 ARG A 21 -3.066 -2.648 10.337 1.00 62.44 H new ATOM 0 HD2 ARG A 21 -2.364 -3.387 12.581 1.00 51.31 H new ATOM 0 HD3 ARG A 21 -3.567 -4.475 11.916 1.00 51.31 H new ATOM 0 HE ARG A 21 -1.461 -5.888 11.219 1.00 65.52 H new ATOM 0 HH11 ARG A 21 -1.833 -3.979 14.127 1.00 70.54 H new ATOM 0 HH12 ARG A 21 -0.714 -4.990 15.047 1.00 70.54 H new ATOM 0 HH21 ARG A 21 -0.085 -7.147 12.414 1.00 32.54 H new ATOM 0 HH22 ARG A 21 0.252 -6.741 14.100 1.00 32.54 H new ATOM 359 N ALA A 22 -1.104 -1.859 7.567 1.00 1.31 N ATOM 360 CA ALA A 22 0.136 -1.080 7.441 1.00 13.32 C ATOM 361 C ALA A 22 0.830 -0.883 8.800 1.00 43.50 C ATOM 362 O ALA A 22 0.244 -0.339 9.736 1.00 74.42 O ATOM 363 CB ALA A 22 -0.158 0.272 6.804 1.00 62.14 C ATOM 0 H ALA A 22 -1.958 -1.306 7.494 1.00 1.31 H new ATOM 0 HA ALA A 22 0.816 -1.644 6.802 1.00 13.32 H new ATOM 0 HB1 ALA A 22 0.767 0.841 6.715 1.00 62.14 H new ATOM 0 HB2 ALA A 22 -0.588 0.122 5.814 1.00 62.14 H new ATOM 0 HB3 ALA A 22 -0.864 0.822 7.427 1.00 62.14 H new ATOM 369 N ILE A 23 2.083 -1.326 8.902 1.00 54.55 N ATOM 370 CA ILE A 23 2.872 -1.149 10.133 1.00 34.53 C ATOM 371 C ILE A 23 3.766 0.101 10.059 1.00 10.53 C ATOM 372 O ILE A 23 4.050 0.732 11.079 1.00 73.42 O ATOM 373 CB ILE A 23 3.744 -2.396 10.441 1.00 50.31 C ATOM 374 CG1 ILE A 23 4.570 -2.800 9.205 1.00 33.03 C ATOM 375 CG2 ILE A 23 2.873 -3.554 10.919 1.00 42.20 C ATOM 376 CD1 ILE A 23 5.433 -4.028 9.414 1.00 53.23 C ATOM 0 H ILE A 23 2.577 -1.810 8.152 1.00 54.55 H new ATOM 0 HA ILE A 23 2.155 -1.018 10.943 1.00 34.53 H new ATOM 0 HB ILE A 23 4.439 -2.142 11.242 1.00 50.31 H new ATOM 0 HG12 ILE A 23 3.892 -2.983 8.372 1.00 33.03 H new ATOM 0 HG13 ILE A 23 5.209 -1.964 8.919 1.00 33.03 H new ATOM 0 HG21 ILE A 23 3.502 -4.419 11.130 1.00 42.20 H new ATOM 0 HG22 ILE A 23 2.343 -3.261 11.825 1.00 42.20 H new ATOM 0 HG23 ILE A 23 2.151 -3.810 10.144 1.00 42.20 H new ATOM 0 HD11 ILE A 23 5.982 -4.247 8.498 1.00 53.23 H new ATOM 0 HD12 ILE A 23 6.138 -3.844 10.225 1.00 53.23 H new ATOM 0 HD13 ILE A 23 4.800 -4.878 9.669 1.00 53.23 H new ATOM 388 N TYR A 24 4.209 0.453 8.853 1.00 62.32 N ATOM 389 CA TYR A 24 5.014 1.666 8.647 1.00 52.05 C ATOM 390 C TYR A 24 4.318 2.624 7.670 1.00 73.30 C ATOM 391 O TYR A 24 3.837 2.209 6.615 1.00 31.42 O ATOM 392 CB TYR A 24 6.414 1.312 8.122 1.00 11.44 C ATOM 393 CG TYR A 24 7.195 0.383 9.036 1.00 43.14 C ATOM 394 CD1 TYR A 24 7.533 0.770 10.329 1.00 32.14 C ATOM 395 CD2 TYR A 24 7.587 -0.881 8.607 1.00 14.54 C ATOM 396 CE1 TYR A 24 8.239 -0.076 11.164 1.00 22.22 C ATOM 397 CE2 TYR A 24 8.292 -1.730 9.438 1.00 63.22 C ATOM 398 CZ TYR A 24 8.615 -1.323 10.715 1.00 32.40 C ATOM 399 OH TYR A 24 9.317 -2.169 11.548 1.00 15.32 O ATOM 0 H TYR A 24 4.027 -0.080 8.003 1.00 62.32 H new ATOM 0 HA TYR A 24 5.117 2.163 9.612 1.00 52.05 H new ATOM 0 HB2 TYR A 24 6.317 0.845 7.142 1.00 11.44 H new ATOM 0 HB3 TYR A 24 6.983 2.231 7.982 1.00 11.44 H new ATOM 0 HD1 TYR A 24 7.239 1.746 10.686 1.00 32.14 H new ATOM 0 HD2 TYR A 24 7.336 -1.204 7.607 1.00 14.54 H new ATOM 0 HE1 TYR A 24 8.495 0.240 12.165 1.00 22.22 H new ATOM 0 HE2 TYR A 24 8.589 -2.708 9.089 1.00 63.22 H new ATOM 0 HH TYR A 24 9.504 -3.009 11.079 1.00 15.32 H new ATOM 409 N ASP A 25 4.269 3.901 8.032 1.00 55.12 N ATOM 410 CA ASP A 25 3.617 4.918 7.202 1.00 23.22 C ATOM 411 C ASP A 25 4.487 5.317 5.997 1.00 65.12 C ATOM 412 O ASP A 25 5.714 5.205 6.039 1.00 70.35 O ATOM 413 CB ASP A 25 3.292 6.148 8.051 1.00 33.05 C ATOM 414 CG ASP A 25 4.527 6.761 8.688 1.00 14.42 C ATOM 415 OD1 ASP A 25 4.987 6.245 9.731 1.00 21.20 O ATOM 416 OD2 ASP A 25 5.044 7.765 8.151 1.00 30.50 O ATOM 0 H ASP A 25 4.673 4.261 8.896 1.00 55.12 H new ATOM 0 HA ASP A 25 2.694 4.490 6.811 1.00 23.22 H new ATOM 0 HB2 ASP A 25 2.800 6.895 7.428 1.00 33.05 H new ATOM 0 HB3 ASP A 25 2.585 5.869 8.832 1.00 33.05 H new ATOM 421 N PHE A 26 3.848 5.798 4.927 1.00 74.05 N ATOM 422 CA PHE A 26 4.577 6.194 3.717 1.00 31.30 C ATOM 423 C PHE A 26 3.758 7.151 2.837 1.00 31.24 C ATOM 424 O PHE A 26 2.576 6.922 2.563 1.00 4.13 O ATOM 425 CB PHE A 26 4.976 4.950 2.911 1.00 24.41 C ATOM 426 CG PHE A 26 5.720 5.253 1.629 1.00 24.43 C ATOM 427 CD1 PHE A 26 7.084 5.518 1.639 1.00 4.12 C ATOM 428 CD2 PHE A 26 5.052 5.270 0.413 1.00 11.34 C ATOM 429 CE1 PHE A 26 7.762 5.789 0.465 1.00 61.20 C ATOM 430 CE2 PHE A 26 5.726 5.540 -0.762 1.00 71.43 C ATOM 431 CZ PHE A 26 7.080 5.800 -0.738 1.00 22.00 C ATOM 0 H PHE A 26 2.837 5.922 4.873 1.00 74.05 H new ATOM 0 HA PHE A 26 5.473 6.727 4.035 1.00 31.30 H new ATOM 0 HB2 PHE A 26 5.599 4.310 3.536 1.00 24.41 H new ATOM 0 HB3 PHE A 26 4.077 4.383 2.670 1.00 24.41 H new ATOM 0 HD1 PHE A 26 7.621 5.512 2.576 1.00 4.12 H new ATOM 0 HD2 PHE A 26 3.991 5.069 0.385 1.00 11.34 H new ATOM 0 HE1 PHE A 26 8.823 5.992 0.487 1.00 61.20 H new ATOM 0 HE2 PHE A 26 5.192 5.547 -1.701 1.00 71.43 H new ATOM 0 HZ PHE A 26 7.607 6.012 -1.657 1.00 22.00 H new ATOM 441 N GLU A 27 4.397 8.230 2.402 1.00 51.32 N ATOM 442 CA GLU A 27 3.798 9.162 1.446 1.00 53.12 C ATOM 443 C GLU A 27 4.451 8.990 0.066 1.00 51.43 C ATOM 444 O GLU A 27 5.675 9.051 -0.065 1.00 65.44 O ATOM 445 CB GLU A 27 3.913 10.621 1.933 1.00 62.42 C ATOM 446 CG GLU A 27 5.332 11.083 2.285 1.00 2.20 C ATOM 447 CD GLU A 27 5.831 10.522 3.610 1.00 1.33 C ATOM 448 OE1 GLU A 27 5.421 11.037 4.673 1.00 61.32 O ATOM 449 OE2 GLU A 27 6.626 9.561 3.598 1.00 72.24 O ATOM 0 H GLU A 27 5.339 8.485 2.698 1.00 51.32 H new ATOM 0 HA GLU A 27 2.736 8.932 1.363 1.00 53.12 H new ATOM 0 HB2 GLU A 27 3.516 11.278 1.159 1.00 62.42 H new ATOM 0 HB3 GLU A 27 3.280 10.745 2.811 1.00 62.42 H new ATOM 0 HG2 GLU A 27 6.014 10.781 1.490 1.00 2.20 H new ATOM 0 HG3 GLU A 27 5.353 12.172 2.327 1.00 2.20 H new ATOM 456 N ALA A 28 3.624 8.764 -0.954 1.00 2.14 N ATOM 457 CA ALA A 28 4.107 8.460 -2.305 1.00 40.11 C ATOM 458 C ALA A 28 5.026 9.554 -2.869 1.00 23.40 C ATOM 459 O ALA A 28 4.663 10.736 -2.896 1.00 13.43 O ATOM 460 CB ALA A 28 2.926 8.238 -3.244 1.00 44.23 C ATOM 0 H ALA A 28 2.608 8.786 -0.871 1.00 2.14 H new ATOM 0 HA ALA A 28 4.702 7.549 -2.232 1.00 40.11 H new ATOM 0 HB1 ALA A 28 3.294 8.013 -4.245 1.00 44.23 H new ATOM 0 HB2 ALA A 28 2.325 7.404 -2.882 1.00 44.23 H new ATOM 0 HB3 ALA A 28 2.313 9.139 -3.277 1.00 44.23 H new ATOM 466 N ALA A 29 6.215 9.148 -3.315 1.00 74.44 N ATOM 467 CA ALA A 29 7.153 10.054 -3.986 1.00 13.31 C ATOM 468 C ALA A 29 6.927 10.035 -5.503 1.00 11.30 C ATOM 469 O ALA A 29 7.187 11.018 -6.203 1.00 53.32 O ATOM 470 CB ALA A 29 8.589 9.669 -3.650 1.00 75.12 C ATOM 0 H ALA A 29 6.555 8.191 -3.224 1.00 74.44 H new ATOM 0 HA ALA A 29 6.975 11.068 -3.629 1.00 13.31 H new ATOM 0 HB1 ALA A 29 9.276 10.349 -4.154 1.00 75.12 H new ATOM 0 HB2 ALA A 29 8.740 9.733 -2.572 1.00 75.12 H new ATOM 0 HB3 ALA A 29 8.779 8.649 -3.983 1.00 75.12 H new ATOM 476 N GLU A 30 6.456 8.892 -6.000 1.00 65.24 N ATOM 477 CA GLU A 30 6.064 8.735 -7.404 1.00 2.43 C ATOM 478 C GLU A 30 4.537 8.726 -7.558 1.00 61.24 C ATOM 479 O GLU A 30 3.809 8.319 -6.650 1.00 73.30 O ATOM 480 CB GLU A 30 6.652 7.437 -7.981 1.00 4.23 C ATOM 481 CG GLU A 30 8.151 7.495 -8.248 1.00 1.43 C ATOM 482 CD GLU A 30 8.525 8.574 -9.254 1.00 71.43 C ATOM 483 OE1 GLU A 30 7.892 8.634 -10.336 1.00 21.51 O ATOM 484 OE2 GLU A 30 9.460 9.358 -8.977 1.00 54.40 O ATOM 0 H GLU A 30 6.335 8.047 -5.442 1.00 65.24 H new ATOM 0 HA GLU A 30 6.460 9.587 -7.957 1.00 2.43 H new ATOM 0 HB2 GLU A 30 6.449 6.620 -7.288 1.00 4.23 H new ATOM 0 HB3 GLU A 30 6.137 7.201 -8.912 1.00 4.23 H new ATOM 0 HG2 GLU A 30 8.676 7.679 -7.311 1.00 1.43 H new ATOM 0 HG3 GLU A 30 8.488 6.527 -8.617 1.00 1.43 H new ATOM 491 N ASP A 31 4.062 9.146 -8.727 1.00 55.44 N ATOM 492 CA ASP A 31 2.626 9.193 -9.019 1.00 22.33 C ATOM 493 C ASP A 31 2.016 7.781 -9.014 1.00 13.54 C ATOM 494 O ASP A 31 0.822 7.598 -8.769 1.00 70.11 O ATOM 495 CB ASP A 31 2.402 9.841 -10.389 1.00 74.13 C ATOM 496 CG ASP A 31 3.209 11.112 -10.573 1.00 11.51 C ATOM 497 OD1 ASP A 31 4.395 11.012 -10.957 1.00 64.44 O ATOM 498 OD2 ASP A 31 2.669 12.211 -10.341 1.00 25.24 O ATOM 0 H ASP A 31 4.653 9.462 -9.496 1.00 55.44 H new ATOM 0 HA ASP A 31 2.137 9.783 -8.244 1.00 22.33 H new ATOM 0 HB2 ASP A 31 2.668 9.130 -11.171 1.00 74.13 H new ATOM 0 HB3 ASP A 31 1.343 10.067 -10.511 1.00 74.13 H new ATOM 503 N ASN A 32 2.856 6.789 -9.299 1.00 4.12 N ATOM 504 CA ASN A 32 2.429 5.389 -9.376 1.00 10.22 C ATOM 505 C ASN A 32 2.335 4.734 -7.979 1.00 32.14 C ATOM 506 O ASN A 32 1.770 3.650 -7.830 1.00 0.32 O ATOM 507 CB ASN A 32 3.413 4.617 -10.269 1.00 71.43 C ATOM 508 CG ASN A 32 2.962 3.203 -10.600 1.00 75.11 C ATOM 509 OD1 ASN A 32 3.783 2.314 -10.793 1.00 51.32 O ATOM 510 ND2 ASN A 32 1.667 2.984 -10.698 1.00 55.12 N ATOM 0 H ASN A 32 3.849 6.929 -9.483 1.00 4.12 H new ATOM 0 HA ASN A 32 1.428 5.356 -9.807 1.00 10.22 H new ATOM 0 HB2 ASN A 32 3.556 5.169 -11.198 1.00 71.43 H new ATOM 0 HB3 ASN A 32 4.382 4.572 -9.772 1.00 71.43 H new ATOM 0 HD21 ASN A 32 1.324 2.055 -10.940 1.00 55.12 H new ATOM 0 HD22 ASN A 32 1.007 3.744 -10.532 1.00 55.12 H new ATOM 517 N GLU A 33 2.875 5.406 -6.961 1.00 34.21 N ATOM 518 CA GLU A 33 2.894 4.867 -5.590 1.00 30.03 C ATOM 519 C GLU A 33 1.630 5.246 -4.793 1.00 40.01 C ATOM 520 O GLU A 33 0.867 6.135 -5.183 1.00 52.12 O ATOM 521 CB GLU A 33 4.146 5.348 -4.839 1.00 71.11 C ATOM 522 CG GLU A 33 5.455 4.876 -5.455 1.00 2.12 C ATOM 523 CD GLU A 33 6.661 5.246 -4.607 1.00 34.15 C ATOM 524 OE1 GLU A 33 7.056 6.434 -4.613 1.00 12.42 O ATOM 525 OE2 GLU A 33 7.211 4.355 -3.928 1.00 32.25 O ATOM 0 H GLU A 33 3.307 6.325 -7.055 1.00 34.21 H new ATOM 0 HA GLU A 33 2.916 3.781 -5.678 1.00 30.03 H new ATOM 0 HB2 GLU A 33 4.143 6.438 -4.808 1.00 71.11 H new ATOM 0 HB3 GLU A 33 4.095 5.000 -3.807 1.00 71.11 H new ATOM 0 HG2 GLU A 33 5.423 3.794 -5.584 1.00 2.12 H new ATOM 0 HG3 GLU A 33 5.565 5.313 -6.448 1.00 2.12 H new ATOM 532 N LEU A 34 1.415 4.553 -3.674 1.00 53.41 N ATOM 533 CA LEU A 34 0.238 4.776 -2.825 1.00 74.24 C ATOM 534 C LEU A 34 0.616 5.572 -1.559 1.00 44.52 C ATOM 535 O LEU A 34 1.592 5.254 -0.879 1.00 2.23 O ATOM 536 CB LEU A 34 -0.381 3.422 -2.419 1.00 13.12 C ATOM 537 CG LEU A 34 -1.921 3.368 -2.344 1.00 24.14 C ATOM 538 CD1 LEU A 34 -2.375 2.036 -1.753 1.00 73.25 C ATOM 539 CD2 LEU A 34 -2.496 4.539 -1.544 1.00 44.14 C ATOM 0 H LEU A 34 2.044 3.827 -3.331 1.00 53.41 H new ATOM 0 HA LEU A 34 -0.489 5.354 -3.395 1.00 74.24 H new ATOM 0 HB2 LEU A 34 -0.047 2.666 -3.130 1.00 13.12 H new ATOM 0 HB3 LEU A 34 0.019 3.142 -1.444 1.00 13.12 H new ATOM 0 HG LEU A 34 -2.305 3.454 -3.361 1.00 24.14 H new ATOM 0 HD11 LEU A 34 -3.464 2.011 -1.706 1.00 73.25 H new ATOM 0 HD12 LEU A 34 -2.020 1.219 -2.382 1.00 73.25 H new ATOM 0 HD13 LEU A 34 -1.966 1.925 -0.749 1.00 73.25 H new ATOM 0 HD21 LEU A 34 -3.583 4.462 -1.516 1.00 44.14 H new ATOM 0 HD22 LEU A 34 -2.104 4.512 -0.527 1.00 44.14 H new ATOM 0 HD23 LEU A 34 -2.211 5.478 -2.018 1.00 44.14 H new ATOM 551 N THR A 35 -0.165 6.608 -1.250 1.00 14.40 N ATOM 552 CA THR A 35 0.052 7.430 -0.048 1.00 14.22 C ATOM 553 C THR A 35 -0.905 7.038 1.090 1.00 2.25 C ATOM 554 O THR A 35 -2.125 7.060 0.915 1.00 53.04 O ATOM 555 CB THR A 35 -0.152 8.932 -0.365 1.00 5.10 C ATOM 556 OG1 THR A 35 0.736 9.343 -1.419 1.00 52.51 O ATOM 557 CG2 THR A 35 0.087 9.801 0.865 1.00 33.32 C ATOM 0 H THR A 35 -0.960 6.903 -1.817 1.00 14.40 H new ATOM 0 HA THR A 35 1.079 7.252 0.272 1.00 14.22 H new ATOM 0 HB THR A 35 -1.186 9.062 -0.683 1.00 5.10 H new ATOM 0 HG1 THR A 35 0.597 10.294 -1.612 1.00 52.51 H new ATOM 0 HG21 THR A 35 -0.065 10.849 0.605 1.00 33.32 H new ATOM 0 HG22 THR A 35 -0.611 9.517 1.652 1.00 33.32 H new ATOM 0 HG23 THR A 35 1.109 9.659 1.218 1.00 33.32 H new ATOM 565 N PHE A 36 -0.350 6.678 2.252 1.00 55.44 N ATOM 566 CA PHE A 36 -1.163 6.353 3.438 1.00 72.42 C ATOM 567 C PHE A 36 -0.318 6.299 4.726 1.00 33.30 C ATOM 568 O PHE A 36 0.910 6.377 4.687 1.00 63.24 O ATOM 569 CB PHE A 36 -1.915 5.024 3.240 1.00 34.22 C ATOM 570 CG PHE A 36 -1.022 3.841 2.941 1.00 61.20 C ATOM 571 CD1 PHE A 36 -0.676 3.528 1.632 1.00 3.23 C ATOM 572 CD2 PHE A 36 -0.536 3.038 3.963 1.00 61.31 C ATOM 573 CE1 PHE A 36 0.132 2.442 1.352 1.00 51.15 C ATOM 574 CE2 PHE A 36 0.272 1.950 3.686 1.00 23.31 C ATOM 575 CZ PHE A 36 0.605 1.653 2.380 1.00 35.03 C ATOM 0 H PHE A 36 0.656 6.603 2.401 1.00 55.44 H new ATOM 0 HA PHE A 36 -1.889 7.158 3.554 1.00 72.42 H new ATOM 0 HB2 PHE A 36 -2.493 4.810 4.139 1.00 34.22 H new ATOM 0 HB3 PHE A 36 -2.628 5.142 2.424 1.00 34.22 H new ATOM 0 HD1 PHE A 36 -1.043 4.141 0.823 1.00 3.23 H new ATOM 0 HD2 PHE A 36 -0.792 3.265 4.987 1.00 61.31 H new ATOM 0 HE1 PHE A 36 0.393 2.211 0.330 1.00 51.15 H new ATOM 0 HE2 PHE A 36 0.642 1.333 4.491 1.00 23.31 H new ATOM 0 HZ PHE A 36 1.235 0.803 2.163 1.00 35.03 H new ATOM 585 N LYS A 37 -0.998 6.163 5.865 1.00 62.13 N ATOM 586 CA LYS A 37 -0.339 6.110 7.178 1.00 55.45 C ATOM 587 C LYS A 37 -0.484 4.723 7.831 1.00 3.45 C ATOM 588 O LYS A 37 -1.220 3.864 7.340 1.00 44.34 O ATOM 589 CB LYS A 37 -0.925 7.193 8.101 1.00 43.30 C ATOM 590 CG LYS A 37 -0.472 8.618 7.764 1.00 74.50 C ATOM 591 CD LYS A 37 0.990 8.852 8.153 1.00 72.11 C ATOM 592 CE LYS A 37 1.443 10.286 7.885 1.00 4.42 C ATOM 593 NZ LYS A 37 1.525 10.587 6.432 1.00 42.23 N ATOM 0 H LYS A 37 -2.014 6.087 5.908 1.00 62.13 H new ATOM 0 HA LYS A 37 0.725 6.295 7.027 1.00 55.45 H new ATOM 0 HB2 LYS A 37 -2.013 7.148 8.050 1.00 43.30 H new ATOM 0 HB3 LYS A 37 -0.644 6.968 9.130 1.00 43.30 H new ATOM 0 HG2 LYS A 37 -0.598 8.797 6.696 1.00 74.50 H new ATOM 0 HG3 LYS A 37 -1.107 9.335 8.285 1.00 74.50 H new ATOM 0 HD2 LYS A 37 1.122 8.624 9.211 1.00 72.11 H new ATOM 0 HD3 LYS A 37 1.626 8.163 7.596 1.00 72.11 H new ATOM 0 HE2 LYS A 37 0.748 10.979 8.359 1.00 4.42 H new ATOM 0 HE3 LYS A 37 2.418 10.449 8.344 1.00 4.42 H new ATOM 0 HZ1 LYS A 37 1.836 11.570 6.298 1.00 42.23 H new ATOM 0 HZ2 LYS A 37 2.207 9.944 5.982 1.00 42.23 H new ATOM 0 HZ3 LYS A 37 0.589 10.458 5.997 1.00 42.23 H new ATOM 607 N ALA A 38 0.212 4.520 8.949 1.00 2.45 N ATOM 608 CA ALA A 38 0.187 3.235 9.662 1.00 43.21 C ATOM 609 C ALA A 38 -1.167 2.994 10.352 1.00 70.53 C ATOM 610 O ALA A 38 -1.828 3.931 10.802 1.00 71.40 O ATOM 611 CB ALA A 38 1.327 3.164 10.674 1.00 35.15 C ATOM 0 H ALA A 38 0.803 5.228 9.385 1.00 2.45 H new ATOM 0 HA ALA A 38 0.324 2.444 8.924 1.00 43.21 H new ATOM 0 HB1 ALA A 38 1.294 2.206 11.193 1.00 35.15 H new ATOM 0 HB2 ALA A 38 2.281 3.263 10.155 1.00 35.15 H new ATOM 0 HB3 ALA A 38 1.222 3.972 11.398 1.00 35.15 H new ATOM 617 N GLY A 39 -1.577 1.730 10.420 1.00 34.20 N ATOM 618 CA GLY A 39 -2.877 1.383 10.988 1.00 60.10 C ATOM 619 C GLY A 39 -3.942 1.154 9.919 1.00 62.53 C ATOM 620 O GLY A 39 -4.899 0.404 10.130 1.00 71.31 O ATOM 0 H GLY A 39 -1.032 0.933 10.091 1.00 34.20 H new ATOM 0 HA2 GLY A 39 -2.776 0.483 11.594 1.00 60.10 H new ATOM 0 HA3 GLY A 39 -3.203 2.181 11.655 1.00 60.10 H new ATOM 624 N GLU A 40 -3.766 1.801 8.765 1.00 72.01 N ATOM 625 CA GLU A 40 -4.701 1.671 7.639 1.00 50.11 C ATOM 626 C GLU A 40 -4.830 0.216 7.163 1.00 21.32 C ATOM 627 O GLU A 40 -3.863 -0.553 7.194 1.00 54.10 O ATOM 628 CB GLU A 40 -4.248 2.548 6.458 1.00 0.12 C ATOM 629 CG GLU A 40 -4.392 4.048 6.692 1.00 74.31 C ATOM 630 CD GLU A 40 -5.837 4.470 6.910 1.00 3.04 C ATOM 631 OE1 GLU A 40 -6.677 4.226 6.013 1.00 2.13 O ATOM 632 OE2 GLU A 40 -6.144 5.041 7.974 1.00 11.55 O ATOM 0 H GLU A 40 -2.980 2.425 8.583 1.00 72.01 H new ATOM 0 HA GLU A 40 -5.675 2.003 7.997 1.00 50.11 H new ATOM 0 HB2 GLU A 40 -3.204 2.326 6.237 1.00 0.12 H new ATOM 0 HB3 GLU A 40 -4.826 2.274 5.576 1.00 0.12 H new ATOM 0 HG2 GLU A 40 -3.799 4.335 7.560 1.00 74.31 H new ATOM 0 HG3 GLU A 40 -3.985 4.586 5.836 1.00 74.31 H new ATOM 639 N ILE A 41 -6.032 -0.150 6.725 1.00 75.12 N ATOM 640 CA ILE A 41 -6.281 -1.467 6.135 1.00 34.42 C ATOM 641 C ILE A 41 -6.269 -1.369 4.601 1.00 31.40 C ATOM 642 O ILE A 41 -7.259 -0.969 3.983 1.00 73.32 O ATOM 643 CB ILE A 41 -7.635 -2.056 6.609 1.00 64.23 C ATOM 644 CG1 ILE A 41 -7.685 -2.127 8.144 1.00 11.21 C ATOM 645 CG2 ILE A 41 -7.875 -3.434 5.997 1.00 51.13 C ATOM 646 CD1 ILE A 41 -6.606 -2.995 8.762 1.00 63.03 C ATOM 0 H ILE A 41 -6.856 0.450 6.767 1.00 75.12 H new ATOM 0 HA ILE A 41 -5.485 -2.134 6.466 1.00 34.42 H new ATOM 0 HB ILE A 41 -8.431 -1.393 6.269 1.00 64.23 H new ATOM 0 HG12 ILE A 41 -7.598 -1.118 8.546 1.00 11.21 H new ATOM 0 HG13 ILE A 41 -8.660 -2.508 8.447 1.00 11.21 H new ATOM 0 HG21 ILE A 41 -8.831 -3.825 6.345 1.00 51.13 H new ATOM 0 HG22 ILE A 41 -7.891 -3.352 4.910 1.00 51.13 H new ATOM 0 HG23 ILE A 41 -7.075 -4.110 6.298 1.00 51.13 H new ATOM 0 HD11 ILE A 41 -6.713 -2.991 9.847 1.00 63.03 H new ATOM 0 HD12 ILE A 41 -6.704 -4.016 8.392 1.00 63.03 H new ATOM 0 HD13 ILE A 41 -5.625 -2.603 8.492 1.00 63.03 H new ATOM 658 N ILE A 42 -5.135 -1.712 3.997 1.00 42.20 N ATOM 659 CA ILE A 42 -4.956 -1.586 2.546 1.00 24.33 C ATOM 660 C ILE A 42 -5.445 -2.842 1.811 1.00 54.35 C ATOM 661 O ILE A 42 -4.882 -3.928 1.968 1.00 21.21 O ATOM 662 CB ILE A 42 -3.468 -1.329 2.154 1.00 74.13 C ATOM 663 CG1 ILE A 42 -2.925 -0.037 2.795 1.00 41.13 C ATOM 664 CG2 ILE A 42 -3.311 -1.264 0.632 1.00 41.24 C ATOM 665 CD1 ILE A 42 -2.649 -0.149 4.279 1.00 44.30 C ATOM 0 H ILE A 42 -4.321 -2.081 4.488 1.00 42.20 H new ATOM 0 HA ILE A 42 -5.553 -0.726 2.245 1.00 24.33 H new ATOM 0 HB ILE A 42 -2.884 -2.167 2.536 1.00 74.13 H new ATOM 0 HG12 ILE A 42 -2.004 0.248 2.286 1.00 41.13 H new ATOM 0 HG13 ILE A 42 -3.643 0.767 2.630 1.00 41.13 H new ATOM 0 HG21 ILE A 42 -2.266 -1.084 0.381 1.00 41.24 H new ATOM 0 HG22 ILE A 42 -3.632 -2.208 0.192 1.00 41.24 H new ATOM 0 HG23 ILE A 42 -3.923 -0.453 0.237 1.00 41.24 H new ATOM 0 HD11 ILE A 42 -2.270 0.803 4.651 1.00 44.30 H new ATOM 0 HD12 ILE A 42 -3.571 -0.402 4.802 1.00 44.30 H new ATOM 0 HD13 ILE A 42 -1.907 -0.928 4.453 1.00 44.30 H new ATOM 677 N THR A 43 -6.490 -2.691 1.009 1.00 23.24 N ATOM 678 CA THR A 43 -6.973 -3.787 0.169 1.00 41.31 C ATOM 679 C THR A 43 -6.135 -3.875 -1.113 1.00 64.54 C ATOM 680 O THR A 43 -6.253 -3.025 -1.997 1.00 73.51 O ATOM 681 CB THR A 43 -8.462 -3.595 -0.221 1.00 11.15 C ATOM 682 OG1 THR A 43 -9.265 -3.363 0.950 1.00 34.55 O ATOM 683 CG2 THR A 43 -8.993 -4.815 -0.967 1.00 63.40 C ATOM 0 H THR A 43 -7.021 -1.824 0.920 1.00 23.24 H new ATOM 0 HA THR A 43 -6.879 -4.706 0.747 1.00 41.31 H new ATOM 0 HB THR A 43 -8.523 -2.727 -0.877 1.00 11.15 H new ATOM 0 HG1 THR A 43 -10.201 -3.242 0.686 1.00 34.55 H new ATOM 0 HG21 THR A 43 -10.039 -4.655 -1.229 1.00 63.40 H new ATOM 0 HG22 THR A 43 -8.411 -4.968 -1.876 1.00 63.40 H new ATOM 0 HG23 THR A 43 -8.909 -5.696 -0.330 1.00 63.40 H new ATOM 691 N VAL A 44 -5.285 -4.896 -1.220 1.00 5.21 N ATOM 692 CA VAL A 44 -4.441 -5.055 -2.410 1.00 22.41 C ATOM 693 C VAL A 44 -5.205 -5.774 -3.535 1.00 62.31 C ATOM 694 O VAL A 44 -5.415 -6.990 -3.504 1.00 13.30 O ATOM 695 CB VAL A 44 -3.090 -5.765 -2.099 1.00 21.54 C ATOM 696 CG1 VAL A 44 -3.298 -7.079 -1.357 1.00 35.15 C ATOM 697 CG2 VAL A 44 -2.282 -5.985 -3.383 1.00 60.03 C ATOM 0 H VAL A 44 -5.161 -5.617 -0.510 1.00 5.21 H new ATOM 0 HA VAL A 44 -4.189 -4.052 -2.754 1.00 22.41 H new ATOM 0 HB VAL A 44 -2.520 -5.108 -1.442 1.00 21.54 H new ATOM 0 HG11 VAL A 44 -2.331 -7.542 -1.159 1.00 35.15 H new ATOM 0 HG12 VAL A 44 -3.808 -6.887 -0.413 1.00 35.15 H new ATOM 0 HG13 VAL A 44 -3.904 -7.749 -1.967 1.00 35.15 H new ATOM 0 HG21 VAL A 44 -1.343 -6.482 -3.141 1.00 60.03 H new ATOM 0 HG22 VAL A 44 -2.855 -6.606 -4.071 1.00 60.03 H new ATOM 0 HG23 VAL A 44 -2.073 -5.023 -3.851 1.00 60.03 H new ATOM 707 N LEU A 45 -5.621 -4.991 -4.530 1.00 53.32 N ATOM 708 CA LEU A 45 -6.471 -5.480 -5.620 1.00 64.24 C ATOM 709 C LEU A 45 -5.674 -6.317 -6.630 1.00 65.55 C ATOM 710 O LEU A 45 -6.197 -7.269 -7.215 1.00 21.34 O ATOM 711 CB LEU A 45 -7.122 -4.290 -6.341 1.00 32.01 C ATOM 712 CG LEU A 45 -7.925 -3.329 -5.443 1.00 44.20 C ATOM 713 CD1 LEU A 45 -8.441 -2.135 -6.245 1.00 70.12 C ATOM 714 CD2 LEU A 45 -9.082 -4.056 -4.763 1.00 20.10 C ATOM 0 H LEU A 45 -5.380 -4.003 -4.605 1.00 53.32 H new ATOM 0 HA LEU A 45 -7.238 -6.120 -5.184 1.00 64.24 H new ATOM 0 HB2 LEU A 45 -6.341 -3.721 -6.845 1.00 32.01 H new ATOM 0 HB3 LEU A 45 -7.785 -4.675 -7.115 1.00 32.01 H new ATOM 0 HG LEU A 45 -7.253 -2.957 -4.669 1.00 44.20 H new ATOM 0 HD11 LEU A 45 -9.004 -1.472 -5.589 1.00 70.12 H new ATOM 0 HD12 LEU A 45 -7.598 -1.592 -6.672 1.00 70.12 H new ATOM 0 HD13 LEU A 45 -9.089 -2.488 -7.047 1.00 70.12 H new ATOM 0 HD21 LEU A 45 -9.633 -3.356 -4.135 1.00 20.10 H new ATOM 0 HD22 LEU A 45 -9.749 -4.466 -5.521 1.00 20.10 H new ATOM 0 HD23 LEU A 45 -8.691 -4.866 -4.147 1.00 20.10 H new ATOM 726 N ASP A 46 -4.409 -5.955 -6.833 1.00 24.54 N ATOM 727 CA ASP A 46 -3.545 -6.664 -7.775 1.00 24.31 C ATOM 728 C ASP A 46 -2.218 -7.068 -7.106 1.00 53.01 C ATOM 729 O ASP A 46 -1.384 -6.222 -6.776 1.00 63.53 O ATOM 730 CB ASP A 46 -3.293 -5.791 -9.009 1.00 14.43 C ATOM 731 CG ASP A 46 -2.595 -6.554 -10.121 1.00 23.03 C ATOM 732 OD1 ASP A 46 -3.220 -7.462 -10.704 1.00 4.34 O ATOM 733 OD2 ASP A 46 -1.424 -6.246 -10.425 1.00 35.22 O ATOM 0 H ASP A 46 -3.959 -5.173 -6.357 1.00 24.54 H new ATOM 0 HA ASP A 46 -4.047 -7.579 -8.091 1.00 24.31 H new ATOM 0 HB2 ASP A 46 -4.243 -5.404 -9.378 1.00 14.43 H new ATOM 0 HB3 ASP A 46 -2.687 -4.931 -8.725 1.00 14.43 H new ATOM 738 N ASP A 47 -2.047 -8.370 -6.899 1.00 32.11 N ATOM 739 CA ASP A 47 -0.861 -8.919 -6.231 1.00 50.31 C ATOM 740 C ASP A 47 0.098 -9.590 -7.232 1.00 51.12 C ATOM 741 O ASP A 47 0.914 -10.436 -6.857 1.00 14.03 O ATOM 742 CB ASP A 47 -1.309 -9.928 -5.160 1.00 2.53 C ATOM 743 CG ASP A 47 -2.176 -11.035 -5.743 1.00 10.33 C ATOM 744 OD1 ASP A 47 -3.317 -10.740 -6.165 1.00 14.21 O ATOM 745 OD2 ASP A 47 -1.726 -12.200 -5.789 1.00 1.15 O ATOM 0 H ASP A 47 -2.723 -9.077 -7.187 1.00 32.11 H new ATOM 0 HA ASP A 47 -0.316 -8.099 -5.764 1.00 50.31 H new ATOM 0 HB2 ASP A 47 -0.431 -10.367 -4.687 1.00 2.53 H new ATOM 0 HB3 ASP A 47 -1.864 -9.406 -4.380 1.00 2.53 H new ATOM 750 N SER A 48 0.007 -9.179 -8.501 1.00 51.53 N ATOM 751 CA SER A 48 0.801 -9.779 -9.591 1.00 24.03 C ATOM 752 C SER A 48 2.296 -9.880 -9.252 1.00 61.42 C ATOM 753 O SER A 48 2.940 -10.888 -9.553 1.00 12.53 O ATOM 754 CB SER A 48 0.622 -8.980 -10.891 1.00 55.14 C ATOM 755 OG SER A 48 -0.731 -9.002 -11.324 1.00 31.43 O ATOM 0 H SER A 48 -0.612 -8.428 -8.805 1.00 51.53 H new ATOM 0 HA SER A 48 0.425 -10.794 -9.724 1.00 24.03 H new ATOM 0 HB2 SER A 48 0.940 -7.949 -10.734 1.00 55.14 H new ATOM 0 HB3 SER A 48 1.262 -9.397 -11.668 1.00 55.14 H new ATOM 0 HG SER A 48 -0.818 -8.485 -12.152 1.00 31.43 H new ATOM 761 N ASP A 49 2.850 -8.838 -8.637 1.00 3.24 N ATOM 762 CA ASP A 49 4.258 -8.842 -8.223 1.00 64.05 C ATOM 763 C ASP A 49 4.401 -8.626 -6.708 1.00 11.44 C ATOM 764 O ASP A 49 4.062 -7.562 -6.203 1.00 3.02 O ATOM 765 CB ASP A 49 5.035 -7.747 -8.962 1.00 13.22 C ATOM 766 CG ASP A 49 5.064 -7.973 -10.457 1.00 43.11 C ATOM 767 OD1 ASP A 49 5.857 -8.824 -10.914 1.00 71.01 O ATOM 768 OD2 ASP A 49 4.300 -7.301 -11.181 1.00 33.02 O ATOM 0 H ASP A 49 2.349 -7.978 -8.413 1.00 3.24 H new ATOM 0 HA ASP A 49 4.668 -9.820 -8.475 1.00 64.05 H new ATOM 0 HB2 ASP A 49 4.582 -6.778 -8.752 1.00 13.22 H new ATOM 0 HB3 ASP A 49 6.056 -7.710 -8.583 1.00 13.22 H new ATOM 773 N PRO A 50 4.919 -9.623 -5.965 1.00 50.22 N ATOM 774 CA PRO A 50 5.186 -9.481 -4.516 1.00 52.40 C ATOM 775 C PRO A 50 6.157 -8.328 -4.200 1.00 64.24 C ATOM 776 O PRO A 50 6.236 -7.850 -3.066 1.00 35.01 O ATOM 777 CB PRO A 50 5.804 -10.836 -4.131 1.00 34.33 C ATOM 778 CG PRO A 50 5.333 -11.780 -5.186 1.00 45.11 C ATOM 779 CD PRO A 50 5.255 -10.974 -6.454 1.00 4.22 C ATOM 0 HA PRO A 50 4.281 -9.238 -3.960 1.00 52.40 H new ATOM 0 HB2 PRO A 50 6.892 -10.782 -4.105 1.00 34.33 H new ATOM 0 HB3 PRO A 50 5.477 -11.153 -3.141 1.00 34.33 H new ATOM 0 HG2 PRO A 50 6.022 -12.617 -5.297 1.00 45.11 H new ATOM 0 HG3 PRO A 50 4.360 -12.199 -4.929 1.00 45.11 H new ATOM 0 HD2 PRO A 50 6.200 -10.984 -6.998 1.00 4.22 H new ATOM 0 HD3 PRO A 50 4.493 -11.360 -7.132 1.00 4.22 H new ATOM 787 N ASN A 51 6.901 -7.890 -5.213 1.00 42.30 N ATOM 788 CA ASN A 51 7.819 -6.754 -5.073 1.00 1.13 C ATOM 789 C ASN A 51 7.096 -5.418 -5.320 1.00 74.22 C ATOM 790 O ASN A 51 7.587 -4.356 -4.933 1.00 4.43 O ATOM 791 CB ASN A 51 8.988 -6.907 -6.053 1.00 2.13 C ATOM 792 CG ASN A 51 9.784 -8.174 -5.801 1.00 62.52 C ATOM 793 OD1 ASN A 51 10.719 -8.185 -5.007 1.00 73.40 O ATOM 794 ND2 ASN A 51 9.436 -9.247 -6.484 1.00 50.32 N ATOM 0 H ASN A 51 6.888 -8.304 -6.145 1.00 42.30 H new ATOM 0 HA ASN A 51 8.199 -6.747 -4.051 1.00 1.13 H new ATOM 0 HB2 ASN A 51 8.606 -6.917 -7.074 1.00 2.13 H new ATOM 0 HB3 ASN A 51 9.647 -6.043 -5.968 1.00 2.13 H new ATOM 0 HD21 ASN A 51 9.950 -10.119 -6.360 1.00 50.32 H new ATOM 0 HD22 ASN A 51 8.653 -9.204 -7.137 1.00 50.32 H new ATOM 801 N TRP A 52 5.932 -5.484 -5.973 1.00 72.43 N ATOM 802 CA TRP A 52 5.121 -4.294 -6.276 1.00 11.20 C ATOM 803 C TRP A 52 3.617 -4.609 -6.161 1.00 51.43 C ATOM 804 O TRP A 52 2.985 -5.026 -7.136 1.00 13.21 O ATOM 805 CB TRP A 52 5.420 -3.767 -7.692 1.00 0.22 C ATOM 806 CG TRP A 52 6.830 -3.285 -7.891 1.00 71.32 C ATOM 807 CD1 TRP A 52 7.913 -4.033 -8.259 1.00 21.33 C ATOM 808 CD2 TRP A 52 7.306 -1.939 -7.741 1.00 51.34 C ATOM 809 NE1 TRP A 52 9.031 -3.240 -8.337 1.00 62.15 N ATOM 810 CE2 TRP A 52 8.684 -1.949 -8.024 1.00 3.21 C ATOM 811 CE3 TRP A 52 6.698 -0.726 -7.392 1.00 53.30 C ATOM 812 CZ2 TRP A 52 9.464 -0.796 -7.971 1.00 25.45 C ATOM 813 CZ3 TRP A 52 7.475 0.417 -7.337 1.00 31.05 C ATOM 814 CH2 TRP A 52 8.845 0.376 -7.625 1.00 12.10 C ATOM 0 H TRP A 52 5.524 -6.358 -6.306 1.00 72.43 H new ATOM 0 HA TRP A 52 5.385 -3.528 -5.547 1.00 11.20 H new ATOM 0 HB2 TRP A 52 5.215 -4.559 -8.412 1.00 0.22 H new ATOM 0 HB3 TRP A 52 4.735 -2.949 -7.914 1.00 0.22 H new ATOM 0 HD1 TRP A 52 7.892 -5.094 -8.459 1.00 21.33 H new ATOM 0 HE1 TRP A 52 9.967 -3.558 -8.587 1.00 62.15 H new ATOM 0 HE3 TRP A 52 5.642 -0.684 -7.170 1.00 53.30 H new ATOM 0 HZ2 TRP A 52 10.520 -0.825 -8.195 1.00 25.45 H new ATOM 0 HZ3 TRP A 52 7.017 1.357 -7.067 1.00 31.05 H new ATOM 0 HH2 TRP A 52 9.425 1.286 -7.573 1.00 12.10 H new ATOM 825 N TRP A 53 3.052 -4.434 -4.968 1.00 44.30 N ATOM 826 CA TRP A 53 1.614 -4.660 -4.753 1.00 65.33 C ATOM 827 C TRP A 53 0.799 -3.381 -4.988 1.00 4.41 C ATOM 828 O TRP A 53 1.206 -2.290 -4.583 1.00 15.43 O ATOM 829 CB TRP A 53 1.350 -5.175 -3.328 1.00 21.14 C ATOM 830 CG TRP A 53 1.586 -6.648 -3.143 1.00 51.41 C ATOM 831 CD1 TRP A 53 1.887 -7.569 -4.109 1.00 53.04 C ATOM 832 CD2 TRP A 53 1.515 -7.372 -1.908 1.00 41.40 C ATOM 833 NE1 TRP A 53 2.014 -8.816 -3.547 1.00 0.14 N ATOM 834 CE2 TRP A 53 1.791 -8.722 -2.198 1.00 22.34 C ATOM 835 CE3 TRP A 53 1.247 -7.007 -0.584 1.00 53.33 C ATOM 836 CZ2 TRP A 53 1.807 -9.707 -1.211 1.00 12.04 C ATOM 837 CZ3 TRP A 53 1.262 -7.985 0.393 1.00 53.13 C ATOM 838 CH2 TRP A 53 1.541 -9.321 0.075 1.00 2.21 C ATOM 0 H TRP A 53 3.561 -4.138 -4.135 1.00 44.30 H new ATOM 0 HA TRP A 53 1.297 -5.412 -5.476 1.00 65.33 H new ATOM 0 HB2 TRP A 53 1.988 -4.628 -2.634 1.00 21.14 H new ATOM 0 HB3 TRP A 53 0.318 -4.949 -3.059 1.00 21.14 H new ATOM 0 HD1 TRP A 53 2.007 -7.348 -5.159 1.00 53.04 H new ATOM 0 HE1 TRP A 53 2.238 -9.673 -4.052 1.00 0.14 H new ATOM 0 HE3 TRP A 53 1.032 -5.980 -0.330 1.00 53.33 H new ATOM 0 HZ2 TRP A 53 2.022 -10.738 -1.453 1.00 12.04 H new ATOM 0 HZ3 TRP A 53 1.055 -7.715 1.418 1.00 53.13 H new ATOM 0 HH2 TRP A 53 1.546 -10.062 0.861 1.00 2.21 H new ATOM 849 N LYS A 54 -0.354 -3.529 -5.647 1.00 50.31 N ATOM 850 CA LYS A 54 -1.260 -2.400 -5.898 1.00 60.50 C ATOM 851 C LYS A 54 -2.469 -2.449 -4.953 1.00 10.52 C ATOM 852 O LYS A 54 -3.297 -3.363 -5.036 1.00 1.13 O ATOM 853 CB LYS A 54 -1.732 -2.417 -7.359 1.00 52.03 C ATOM 854 CG LYS A 54 -2.547 -1.187 -7.753 1.00 14.41 C ATOM 855 CD LYS A 54 -3.019 -1.250 -9.203 1.00 11.14 C ATOM 856 CE LYS A 54 -3.790 0.003 -9.597 1.00 24.41 C ATOM 857 NZ LYS A 54 -4.338 -0.087 -10.975 1.00 24.55 N ATOM 0 H LYS A 54 -0.684 -4.420 -6.017 1.00 50.31 H new ATOM 0 HA LYS A 54 -0.715 -1.475 -5.710 1.00 60.50 H new ATOM 0 HB2 LYS A 54 -0.862 -2.491 -8.012 1.00 52.03 H new ATOM 0 HB3 LYS A 54 -2.334 -3.310 -7.527 1.00 52.03 H new ATOM 0 HG2 LYS A 54 -3.411 -1.099 -7.095 1.00 14.41 H new ATOM 0 HG3 LYS A 54 -1.943 -0.291 -7.608 1.00 14.41 H new ATOM 0 HD2 LYS A 54 -2.159 -1.370 -9.861 1.00 11.14 H new ATOM 0 HD3 LYS A 54 -3.652 -2.126 -9.342 1.00 11.14 H new ATOM 0 HE2 LYS A 54 -4.606 0.162 -8.893 1.00 24.41 H new ATOM 0 HE3 LYS A 54 -3.133 0.870 -9.525 1.00 24.41 H new ATOM 0 HZ1 LYS A 54 -4.855 0.787 -11.201 1.00 24.55 H new ATOM 0 HZ2 LYS A 54 -3.558 -0.213 -11.651 1.00 24.55 H new ATOM 0 HZ3 LYS A 54 -4.986 -0.898 -11.039 1.00 24.55 H new ATOM 871 N GLY A 55 -2.583 -1.456 -4.073 1.00 43.23 N ATOM 872 CA GLY A 55 -3.626 -1.476 -3.050 1.00 72.41 C ATOM 873 C GLY A 55 -4.576 -0.283 -3.087 1.00 14.01 C ATOM 874 O GLY A 55 -4.348 0.692 -3.803 1.00 2.03 O ATOM 0 H GLY A 55 -1.975 -0.638 -4.047 1.00 43.23 H new ATOM 0 HA2 GLY A 55 -4.208 -2.391 -3.162 1.00 72.41 H new ATOM 0 HA3 GLY A 55 -3.153 -1.517 -2.069 1.00 72.41 H new ATOM 878 N GLU A 56 -5.644 -0.373 -2.299 1.00 75.34 N ATOM 879 CA GLU A 56 -6.652 0.689 -2.200 1.00 61.10 C ATOM 880 C GLU A 56 -6.759 1.219 -0.762 1.00 3.34 C ATOM 881 O GLU A 56 -6.812 0.443 0.194 1.00 21.15 O ATOM 882 CB GLU A 56 -8.019 0.150 -2.649 1.00 4.01 C ATOM 883 CG GLU A 56 -9.148 1.175 -2.559 1.00 42.23 C ATOM 884 CD GLU A 56 -10.522 0.554 -2.757 1.00 73.23 C ATOM 885 OE1 GLU A 56 -11.125 0.103 -1.757 1.00 24.24 O ATOM 886 OE2 GLU A 56 -11.016 0.521 -3.903 1.00 62.34 O ATOM 0 H GLU A 56 -5.839 -1.182 -1.710 1.00 75.34 H new ATOM 0 HA GLU A 56 -6.345 1.510 -2.848 1.00 61.10 H new ATOM 0 HB2 GLU A 56 -7.940 -0.200 -3.678 1.00 4.01 H new ATOM 0 HB3 GLU A 56 -8.277 -0.714 -2.037 1.00 4.01 H new ATOM 0 HG2 GLU A 56 -9.112 1.665 -1.586 1.00 42.23 H new ATOM 0 HG3 GLU A 56 -8.992 1.949 -3.311 1.00 42.23 H new ATOM 893 N THR A 57 -6.786 2.545 -0.612 1.00 32.44 N ATOM 894 CA THR A 57 -6.968 3.181 0.704 1.00 3.25 C ATOM 895 C THR A 57 -8.066 4.253 0.654 1.00 72.43 C ATOM 896 O THR A 57 -8.771 4.394 -0.347 1.00 64.00 O ATOM 897 CB THR A 57 -5.663 3.849 1.213 1.00 32.42 C ATOM 898 OG1 THR A 57 -5.334 4.985 0.392 1.00 3.21 O ATOM 899 CG2 THR A 57 -4.496 2.865 1.219 1.00 74.31 C ATOM 0 H THR A 57 -6.684 3.204 -1.384 1.00 32.44 H new ATOM 0 HA THR A 57 -7.254 2.383 1.389 1.00 3.25 H new ATOM 0 HB THR A 57 -5.837 4.177 2.238 1.00 32.42 H new ATOM 0 HG1 THR A 57 -4.385 5.204 0.502 1.00 3.21 H new ATOM 0 HG21 THR A 57 -3.599 3.367 1.581 1.00 74.31 H new ATOM 0 HG22 THR A 57 -4.731 2.026 1.873 1.00 74.31 H new ATOM 0 HG23 THR A 57 -4.324 2.499 0.207 1.00 74.31 H new ATOM 907 N HIS A 58 -8.208 5.008 1.743 1.00 31.52 N ATOM 908 CA HIS A 58 -9.141 6.143 1.777 1.00 64.10 C ATOM 909 C HIS A 58 -8.497 7.390 1.141 1.00 11.20 C ATOM 910 O HIS A 58 -9.112 8.457 1.061 1.00 31.45 O ATOM 911 CB HIS A 58 -9.570 6.429 3.221 1.00 24.52 C ATOM 912 CG HIS A 58 -10.280 5.278 3.872 1.00 61.12 C ATOM 913 ND1 HIS A 58 -11.643 5.247 4.070 1.00 74.44 N ATOM 914 CD2 HIS A 58 -9.807 4.106 4.363 1.00 35.53 C ATOM 915 CE1 HIS A 58 -11.979 4.112 4.647 1.00 13.21 C ATOM 916 NE2 HIS A 58 -10.887 3.403 4.836 1.00 75.14 N ATOM 0 H HIS A 58 -7.694 4.859 2.611 1.00 31.52 H new ATOM 0 HA HIS A 58 -10.027 5.887 1.197 1.00 64.10 H new ATOM 0 HB2 HIS A 58 -8.689 6.683 3.810 1.00 24.52 H new ATOM 0 HB3 HIS A 58 -10.223 7.302 3.232 1.00 24.52 H new ATOM 0 HD2 HIS A 58 -8.776 3.786 4.379 1.00 35.53 H new ATOM 0 HE1 HIS A 58 -12.981 3.814 4.919 1.00 13.21 H new ATOM 0 HE2 HIS A 58 -10.849 2.479 5.265 1.00 75.14 H new ATOM 925 N GLN A 59 -7.248 7.240 0.695 1.00 24.52 N ATOM 926 CA GLN A 59 -6.519 8.307 0.001 1.00 73.10 C ATOM 927 C GLN A 59 -6.526 8.069 -1.521 1.00 25.12 C ATOM 928 O GLN A 59 -6.824 8.973 -2.307 1.00 14.24 O ATOM 929 CB GLN A 59 -5.069 8.358 0.507 1.00 50.14 C ATOM 930 CG GLN A 59 -4.242 9.511 -0.067 1.00 72.25 C ATOM 931 CD GLN A 59 -4.571 10.857 0.563 1.00 4.53 C ATOM 932 OE1 GLN A 59 -5.686 11.100 1.008 1.00 4.32 O ATOM 933 NE2 GLN A 59 -3.599 11.744 0.604 1.00 12.23 N ATOM 0 H GLN A 59 -6.713 6.378 0.804 1.00 24.52 H new ATOM 0 HA GLN A 59 -7.013 9.256 0.208 1.00 73.10 H new ATOM 0 HB2 GLN A 59 -5.078 8.439 1.594 1.00 50.14 H new ATOM 0 HB3 GLN A 59 -4.578 7.416 0.262 1.00 50.14 H new ATOM 0 HG2 GLN A 59 -3.183 9.298 0.079 1.00 72.25 H new ATOM 0 HG3 GLN A 59 -4.410 9.570 -1.142 1.00 72.25 H new ATOM 0 HE21 GLN A 59 -2.681 11.512 0.225 1.00 12.23 H new ATOM 0 HE22 GLN A 59 -3.764 12.663 1.015 1.00 12.23 H new ATOM 942 N GLY A 60 -6.197 6.842 -1.927 1.00 62.01 N ATOM 943 CA GLY A 60 -6.151 6.504 -3.348 1.00 55.12 C ATOM 944 C GLY A 60 -5.670 5.079 -3.616 1.00 43.23 C ATOM 945 O GLY A 60 -5.533 4.276 -2.690 1.00 41.24 O ATOM 0 H GLY A 60 -5.961 6.074 -1.299 1.00 62.01 H new ATOM 0 HA2 GLY A 60 -7.145 6.631 -3.777 1.00 55.12 H new ATOM 0 HA3 GLY A 60 -5.491 7.205 -3.860 1.00 55.12 H new ATOM 949 N ILE A 61 -5.423 4.765 -4.893 1.00 50.32 N ATOM 950 CA ILE A 61 -4.959 3.429 -5.301 1.00 61.25 C ATOM 951 C ILE A 61 -3.586 3.510 -5.999 1.00 22.11 C ATOM 952 O ILE A 61 -3.404 4.288 -6.939 1.00 14.23 O ATOM 953 CB ILE A 61 -5.972 2.733 -6.264 1.00 72.21 C ATOM 954 CG1 ILE A 61 -7.350 2.538 -5.597 1.00 44.43 C ATOM 955 CG2 ILE A 61 -5.428 1.387 -6.741 1.00 4.13 C ATOM 956 CD1 ILE A 61 -8.180 3.803 -5.481 1.00 75.01 C ATOM 0 H ILE A 61 -5.537 5.420 -5.667 1.00 50.32 H new ATOM 0 HA ILE A 61 -4.874 2.837 -4.390 1.00 61.25 H new ATOM 0 HB ILE A 61 -6.103 3.389 -7.125 1.00 72.21 H new ATOM 0 HG12 ILE A 61 -7.914 1.800 -6.167 1.00 44.43 H new ATOM 0 HG13 ILE A 61 -7.201 2.124 -4.600 1.00 44.43 H new ATOM 0 HG21 ILE A 61 -6.150 0.920 -7.411 1.00 4.13 H new ATOM 0 HG22 ILE A 61 -4.488 1.542 -7.271 1.00 4.13 H new ATOM 0 HG23 ILE A 61 -5.257 0.738 -5.882 1.00 4.13 H new ATOM 0 HD11 ILE A 61 -9.131 3.572 -5.001 1.00 75.01 H new ATOM 0 HD12 ILE A 61 -7.641 4.538 -4.883 1.00 75.01 H new ATOM 0 HD13 ILE A 61 -8.365 4.209 -6.475 1.00 75.01 H new ATOM 968 N GLY A 62 -2.626 2.698 -5.548 1.00 54.50 N ATOM 969 CA GLY A 62 -1.281 2.723 -6.130 1.00 60.03 C ATOM 970 C GLY A 62 -0.381 1.583 -5.647 1.00 33.35 C ATOM 971 O GLY A 62 -0.827 0.693 -4.920 1.00 65.34 O ATOM 0 H GLY A 62 -2.751 2.024 -4.793 1.00 54.50 H new ATOM 0 HA2 GLY A 62 -1.363 2.674 -7.216 1.00 60.03 H new ATOM 0 HA3 GLY A 62 -0.808 3.675 -5.889 1.00 60.03 H new ATOM 975 N LEU A 63 0.887 1.614 -6.058 1.00 43.34 N ATOM 976 CA LEU A 63 1.862 0.577 -5.686 1.00 52.43 C ATOM 977 C LEU A 63 2.631 0.934 -4.400 1.00 24.12 C ATOM 978 O LEU A 63 2.777 2.105 -4.052 1.00 1.53 O ATOM 979 CB LEU A 63 2.877 0.363 -6.824 1.00 25.20 C ATOM 980 CG LEU A 63 2.307 -0.185 -8.145 1.00 54.12 C ATOM 981 CD1 LEU A 63 3.401 -0.278 -9.207 1.00 4.52 C ATOM 982 CD2 LEU A 63 1.663 -1.550 -7.930 1.00 41.22 C ATOM 0 H LEU A 63 1.269 2.349 -6.653 1.00 43.34 H new ATOM 0 HA LEU A 63 1.295 -0.336 -5.506 1.00 52.43 H new ATOM 0 HB2 LEU A 63 3.367 1.315 -7.030 1.00 25.20 H new ATOM 0 HB3 LEU A 63 3.648 -0.323 -6.472 1.00 25.20 H new ATOM 0 HG LEU A 63 1.541 0.507 -8.495 1.00 54.12 H new ATOM 0 HD11 LEU A 63 2.977 -0.667 -10.133 1.00 4.52 H new ATOM 0 HD12 LEU A 63 3.818 0.713 -9.387 1.00 4.52 H new ATOM 0 HD13 LEU A 63 4.189 -0.946 -8.860 1.00 4.52 H new ATOM 0 HD21 LEU A 63 1.267 -1.919 -8.876 1.00 41.22 H new ATOM 0 HD22 LEU A 63 2.409 -2.249 -7.552 1.00 41.22 H new ATOM 0 HD23 LEU A 63 0.852 -1.460 -7.208 1.00 41.22 H new ATOM 994 N PHE A 64 3.119 -0.092 -3.704 1.00 61.02 N ATOM 995 CA PHE A 64 4.030 0.094 -2.561 1.00 2.11 C ATOM 996 C PHE A 64 5.111 -1.010 -2.529 1.00 73.44 C ATOM 997 O PHE A 64 4.859 -2.135 -2.099 1.00 64.32 O ATOM 998 CB PHE A 64 3.248 0.157 -1.231 1.00 24.00 C ATOM 999 CG PHE A 64 2.180 -0.903 -1.060 1.00 21.32 C ATOM 1000 CD1 PHE A 64 0.916 -0.726 -1.612 1.00 74.40 C ATOM 1001 CD2 PHE A 64 2.430 -2.059 -0.336 1.00 10.13 C ATOM 1002 CE1 PHE A 64 -0.069 -1.680 -1.445 1.00 64.34 C ATOM 1003 CE2 PHE A 64 1.446 -3.016 -0.168 1.00 43.23 C ATOM 1004 CZ PHE A 64 0.196 -2.826 -0.724 1.00 11.40 C ATOM 0 H PHE A 64 2.901 -1.067 -3.908 1.00 61.02 H new ATOM 0 HA PHE A 64 4.538 1.050 -2.688 1.00 2.11 H new ATOM 0 HB2 PHE A 64 3.957 0.072 -0.407 1.00 24.00 H new ATOM 0 HB3 PHE A 64 2.780 1.138 -1.149 1.00 24.00 H new ATOM 0 HD1 PHE A 64 0.702 0.168 -2.178 1.00 74.40 H new ATOM 0 HD2 PHE A 64 3.405 -2.214 0.102 1.00 10.13 H new ATOM 0 HE1 PHE A 64 -1.046 -1.529 -1.879 1.00 64.34 H new ATOM 0 HE2 PHE A 64 1.655 -3.912 0.398 1.00 43.23 H new ATOM 0 HZ PHE A 64 -0.573 -3.573 -0.595 1.00 11.40 H new ATOM 1014 N PRO A 65 6.341 -0.693 -2.995 1.00 62.43 N ATOM 1015 CA PRO A 65 7.412 -1.696 -3.185 1.00 60.43 C ATOM 1016 C PRO A 65 8.072 -2.186 -1.882 1.00 65.25 C ATOM 1017 O PRO A 65 8.494 -3.337 -1.786 1.00 61.32 O ATOM 1018 CB PRO A 65 8.431 -0.944 -4.045 1.00 64.53 C ATOM 1019 CG PRO A 65 8.256 0.489 -3.667 1.00 43.34 C ATOM 1020 CD PRO A 65 6.785 0.667 -3.386 1.00 61.52 C ATOM 0 HA PRO A 65 7.015 -2.609 -3.628 1.00 60.43 H new ATOM 0 HB2 PRO A 65 9.447 -1.285 -3.846 1.00 64.53 H new ATOM 0 HB3 PRO A 65 8.245 -1.100 -5.108 1.00 64.53 H new ATOM 0 HG2 PRO A 65 8.854 0.737 -2.790 1.00 43.34 H new ATOM 0 HG3 PRO A 65 8.582 1.148 -4.472 1.00 43.34 H new ATOM 0 HD2 PRO A 65 6.613 1.390 -2.589 1.00 61.52 H new ATOM 0 HD3 PRO A 65 6.249 1.027 -4.264 1.00 61.52 H new ATOM 1028 N SER A 66 8.161 -1.310 -0.884 1.00 21.32 N ATOM 1029 CA SER A 66 8.867 -1.627 0.372 1.00 74.01 C ATOM 1030 C SER A 66 8.202 -2.763 1.166 1.00 1.54 C ATOM 1031 O SER A 66 8.825 -3.331 2.065 1.00 12.11 O ATOM 1032 CB SER A 66 8.972 -0.382 1.259 1.00 40.33 C ATOM 1033 OG SER A 66 9.656 0.668 0.596 1.00 73.20 O ATOM 0 H SER A 66 7.756 -0.374 -0.913 1.00 21.32 H new ATOM 0 HA SER A 66 9.862 -1.967 0.084 1.00 74.01 H new ATOM 0 HB2 SER A 66 7.973 -0.048 1.540 1.00 40.33 H new ATOM 0 HB3 SER A 66 9.495 -0.634 2.182 1.00 40.33 H new ATOM 0 HG SER A 66 9.706 1.449 1.185 1.00 73.20 H new ATOM 1039 N ASN A 67 6.939 -3.078 0.855 1.00 4.35 N ATOM 1040 CA ASN A 67 6.199 -4.144 1.561 1.00 72.43 C ATOM 1041 C ASN A 67 6.122 -3.888 3.080 1.00 45.10 C ATOM 1042 O ASN A 67 6.143 -4.822 3.882 1.00 53.05 O ATOM 1043 CB ASN A 67 6.836 -5.519 1.280 1.00 15.14 C ATOM 1044 CG ASN A 67 6.518 -6.030 -0.116 1.00 63.01 C ATOM 1045 OD1 ASN A 67 5.544 -6.748 -0.317 1.00 24.20 O ATOM 1046 ND2 ASN A 67 7.330 -5.671 -1.091 1.00 3.40 N ATOM 0 H ASN A 67 6.404 -2.614 0.121 1.00 4.35 H new ATOM 0 HA ASN A 67 5.179 -4.139 1.178 1.00 72.43 H new ATOM 0 HB2 ASN A 67 7.917 -5.447 1.400 1.00 15.14 H new ATOM 0 HB3 ASN A 67 6.480 -6.239 2.017 1.00 15.14 H new ATOM 0 HD21 ASN A 67 7.156 -5.991 -2.044 1.00 3.40 H new ATOM 0 HD22 ASN A 67 8.132 -5.073 -0.893 1.00 3.40 H new ATOM 1053 N PHE A 68 5.983 -2.618 3.461 1.00 72.41 N ATOM 1054 CA PHE A 68 5.864 -2.215 4.877 1.00 32.20 C ATOM 1055 C PHE A 68 4.468 -2.523 5.464 1.00 1.23 C ATOM 1056 O PHE A 68 3.956 -1.784 6.312 1.00 43.22 O ATOM 1057 CB PHE A 68 6.182 -0.713 5.011 1.00 13.35 C ATOM 1058 CG PHE A 68 5.640 0.133 3.879 1.00 42.00 C ATOM 1059 CD1 PHE A 68 4.298 0.090 3.533 1.00 61.12 C ATOM 1060 CD2 PHE A 68 6.487 0.959 3.153 1.00 62.13 C ATOM 1061 CE1 PHE A 68 3.815 0.849 2.488 1.00 64.41 C ATOM 1062 CE2 PHE A 68 6.006 1.723 2.108 1.00 25.22 C ATOM 1063 CZ PHE A 68 4.667 1.666 1.775 1.00 41.42 C ATOM 0 H PHE A 68 5.949 -1.837 2.806 1.00 72.41 H new ATOM 0 HA PHE A 68 6.583 -2.801 5.450 1.00 32.20 H new ATOM 0 HB2 PHE A 68 5.772 -0.348 5.953 1.00 13.35 H new ATOM 0 HB3 PHE A 68 7.263 -0.584 5.062 1.00 13.35 H new ATOM 0 HD1 PHE A 68 3.623 -0.545 4.088 1.00 61.12 H new ATOM 0 HD2 PHE A 68 7.535 1.005 3.409 1.00 62.13 H new ATOM 0 HE1 PHE A 68 2.768 0.804 2.228 1.00 64.41 H new ATOM 0 HE2 PHE A 68 6.675 2.363 1.553 1.00 25.22 H new ATOM 0 HZ PHE A 68 4.288 2.261 0.957 1.00 41.42 H new ATOM 1073 N VAL A 69 3.876 -3.633 5.036 1.00 32.33 N ATOM 1074 CA VAL A 69 2.545 -4.040 5.498 1.00 14.33 C ATOM 1075 C VAL A 69 2.560 -5.492 5.999 1.00 14.03 C ATOM 1076 O VAL A 69 3.452 -6.268 5.662 1.00 45.33 O ATOM 1077 CB VAL A 69 1.488 -3.896 4.372 1.00 40.33 C ATOM 1078 CG1 VAL A 69 1.310 -2.432 3.974 1.00 51.14 C ATOM 1079 CG2 VAL A 69 1.862 -4.748 3.158 1.00 33.42 C ATOM 0 H VAL A 69 4.298 -4.274 4.364 1.00 32.33 H new ATOM 0 HA VAL A 69 2.274 -3.378 6.321 1.00 14.33 H new ATOM 0 HB VAL A 69 0.536 -4.259 4.758 1.00 40.33 H new ATOM 0 HG11 VAL A 69 0.564 -2.358 3.183 1.00 51.14 H new ATOM 0 HG12 VAL A 69 0.980 -1.857 4.839 1.00 51.14 H new ATOM 0 HG13 VAL A 69 2.259 -2.034 3.615 1.00 51.14 H new ATOM 0 HG21 VAL A 69 1.105 -4.629 2.383 1.00 33.42 H new ATOM 0 HG22 VAL A 69 2.830 -4.427 2.772 1.00 33.42 H new ATOM 0 HG23 VAL A 69 1.918 -5.796 3.452 1.00 33.42 H new ATOM 1089 N THR A 70 1.561 -5.859 6.795 1.00 44.43 N ATOM 1090 CA THR A 70 1.489 -7.209 7.372 1.00 65.52 C ATOM 1091 C THR A 70 0.085 -7.805 7.252 1.00 42.13 C ATOM 1092 O THR A 70 -0.914 -7.090 7.334 1.00 51.51 O ATOM 1093 CB THR A 70 1.894 -7.213 8.865 1.00 15.31 C ATOM 1094 OG1 THR A 70 1.734 -8.531 9.419 1.00 53.40 O ATOM 1095 CG2 THR A 70 1.060 -6.216 9.666 1.00 21.42 C ATOM 0 H THR A 70 0.789 -5.247 7.058 1.00 44.43 H new ATOM 0 HA THR A 70 2.190 -7.817 6.801 1.00 65.52 H new ATOM 0 HB THR A 70 2.941 -6.916 8.928 1.00 15.31 H new ATOM 0 HG1 THR A 70 1.995 -8.523 10.364 1.00 53.40 H new ATOM 0 HG21 THR A 70 1.367 -6.242 10.711 1.00 21.42 H new ATOM 0 HG22 THR A 70 1.211 -5.213 9.268 1.00 21.42 H new ATOM 0 HG23 THR A 70 0.005 -6.481 9.591 1.00 21.42 H new ATOM 1103 N ALA A 71 0.015 -9.117 7.049 1.00 74.44 N ATOM 1104 CA ALA A 71 -1.263 -9.835 7.044 1.00 13.34 C ATOM 1105 C ALA A 71 -1.291 -10.861 8.182 1.00 65.33 C ATOM 1106 O ALA A 71 -0.699 -11.939 8.079 1.00 61.25 O ATOM 1107 CB ALA A 71 -1.489 -10.509 5.691 1.00 62.43 C ATOM 0 H ALA A 71 0.829 -9.710 6.885 1.00 74.44 H new ATOM 0 HA ALA A 71 -2.073 -9.123 7.204 1.00 13.34 H new ATOM 0 HB1 ALA A 71 -2.442 -11.038 5.703 1.00 62.43 H new ATOM 0 HB2 ALA A 71 -1.503 -9.753 4.906 1.00 62.43 H new ATOM 0 HB3 ALA A 71 -0.683 -11.217 5.498 1.00 62.43 H new