USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc=-0.00415 USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= -0.235 (180deg=-4.18!) USER MOD Single : A 22 SER OG : rot -110:sc= -2! USER MOD Single : A 31 GLN : amide:sc= 1.06 K(o=1.1,f=-0.47) USER MOD Single : A 32 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.066) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.295 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0256 (180deg=-0.21) USER MOD Single : A 46 TYR OH : rot 16:sc= 0.847 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0123 (180deg=-0.135) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 161:sc= -0.132 (180deg=-0.625) USER MOD Single : A 58 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 1.72 (180deg=0.919) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.759) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.191 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.299 -0.674 -3.539 1.00 10.11 N ATOM 282 CA LEU A 19 -13.108 -1.008 -2.756 1.00 31.34 C ATOM 283 C LEU A 19 -13.087 -0.200 -1.455 1.00 42.34 C ATOM 284 O LEU A 19 -13.066 1.030 -1.479 1.00 33.21 O ATOM 285 CB LEU A 19 -11.836 -0.736 -3.569 1.00 15.03 C ATOM 286 CG LEU A 19 -11.702 -1.543 -4.872 1.00 71.20 C ATOM 287 CD1 LEU A 19 -10.432 -1.150 -5.625 1.00 71.35 C ATOM 288 CD2 LEU A 19 -11.717 -3.046 -4.580 1.00 64.04 C ATOM 0 HA LEU A 19 -13.141 -2.070 -2.511 1.00 31.34 H new ATOM 0 HB2 LEU A 19 -11.801 0.326 -3.814 1.00 15.03 H new ATOM 0 HB3 LEU A 19 -10.971 -0.947 -2.940 1.00 15.03 H new ATOM 0 HG LEU A 19 -12.557 -1.310 -5.506 1.00 71.20 H new ATOM 0 HD11 LEU A 19 -10.358 -1.733 -6.543 1.00 71.35 H new ATOM 0 HD12 LEU A 19 -10.469 -0.089 -5.871 1.00 71.35 H new ATOM 0 HD13 LEU A 19 -9.562 -1.347 -4.999 1.00 71.35 H new ATOM 0 HD21 LEU A 19 -11.621 -3.599 -5.514 1.00 64.04 H new ATOM 0 HD22 LEU A 19 -10.885 -3.297 -3.923 1.00 64.04 H new ATOM 0 HD23 LEU A 19 -12.656 -3.313 -4.095 1.00 64.04 H new ATOM 300 N LYS A 20 -13.106 -0.888 -0.319 1.00 53.55 N ATOM 301 CA LYS A 20 -13.128 -0.208 0.980 1.00 2.20 C ATOM 302 C LYS A 20 -11.747 -0.199 1.638 1.00 71.35 C ATOM 303 O LYS A 20 -11.149 -1.252 1.882 1.00 63.31 O ATOM 304 CB LYS A 20 -14.143 -0.869 1.923 1.00 21.24 C ATOM 305 CG LYS A 20 -15.589 -0.757 1.451 1.00 64.50 C ATOM 306 CD LYS A 20 -16.556 -1.565 2.322 1.00 20.43 C ATOM 307 CE LYS A 20 -16.570 -1.110 3.786 1.00 71.13 C ATOM 308 NZ LYS A 20 -15.370 -1.559 4.545 1.00 70.10 N ATOM 0 H LYS A 20 -13.107 -1.907 -0.266 1.00 53.55 H new ATOM 0 HA LYS A 20 -13.426 0.824 0.796 1.00 2.20 H new ATOM 0 HB2 LYS A 20 -13.888 -1.923 2.034 1.00 21.24 H new ATOM 0 HB3 LYS A 20 -14.057 -0.414 2.910 1.00 21.24 H new ATOM 0 HG2 LYS A 20 -15.889 0.291 1.457 1.00 64.50 H new ATOM 0 HG3 LYS A 20 -15.659 -1.103 0.420 1.00 64.50 H new ATOM 0 HD2 LYS A 20 -17.562 -1.480 1.912 1.00 20.43 H new ATOM 0 HD3 LYS A 20 -16.281 -2.619 2.278 1.00 20.43 H new ATOM 0 HE2 LYS A 20 -16.630 -0.022 3.822 1.00 71.13 H new ATOM 0 HE3 LYS A 20 -17.466 -1.495 4.272 1.00 71.13 H new ATOM 0 HZ1 LYS A 20 -15.670 -2.027 5.424 1.00 70.10 H new ATOM 0 HZ2 LYS A 20 -14.823 -2.228 3.966 1.00 70.10 H new ATOM 0 HZ3 LYS A 20 -14.777 -0.736 4.776 1.00 70.10 H new ATOM 322 N PHE A 21 -11.248 1.003 1.901 1.00 40.03 N ATOM 323 CA PHE A 21 -10.007 1.191 2.654 1.00 45.53 C ATOM 324 C PHE A 21 -10.131 0.569 4.053 1.00 13.13 C ATOM 325 O PHE A 21 -10.941 1.017 4.857 1.00 72.30 O ATOM 326 CB PHE A 21 -9.707 2.695 2.761 1.00 35.53 C ATOM 327 CG PHE A 21 -8.423 3.030 3.480 1.00 33.30 C ATOM 328 CD1 PHE A 21 -8.368 3.047 4.869 1.00 64.02 C ATOM 329 CD2 PHE A 21 -7.275 3.335 2.768 1.00 54.20 C ATOM 330 CE1 PHE A 21 -7.197 3.360 5.527 1.00 23.02 C ATOM 331 CE2 PHE A 21 -6.103 3.651 3.422 1.00 65.52 C ATOM 332 CZ PHE A 21 -6.064 3.661 4.802 1.00 63.12 C ATOM 0 H PHE A 21 -11.688 1.873 1.601 1.00 40.03 H new ATOM 0 HA PHE A 21 -9.188 0.694 2.134 1.00 45.53 H new ATOM 0 HB2 PHE A 21 -9.666 3.116 1.757 1.00 35.53 H new ATOM 0 HB3 PHE A 21 -10.535 3.181 3.277 1.00 35.53 H new ATOM 0 HD1 PHE A 21 -9.254 2.812 5.440 1.00 64.02 H new ATOM 0 HD2 PHE A 21 -7.298 3.325 1.688 1.00 54.20 H new ATOM 0 HE1 PHE A 21 -7.168 3.369 6.607 1.00 23.02 H new ATOM 0 HE2 PHE A 21 -5.216 3.891 2.855 1.00 65.52 H new ATOM 0 HZ PHE A 21 -5.145 3.905 5.314 1.00 63.12 H new ATOM 342 N SER A 22 -9.341 -0.464 4.344 1.00 32.43 N ATOM 343 CA SER A 22 -9.423 -1.136 5.653 1.00 43.23 C ATOM 344 C SER A 22 -8.334 -0.650 6.616 1.00 65.34 C ATOM 345 O SER A 22 -8.631 -0.042 7.646 1.00 1.32 O ATOM 346 CB SER A 22 -9.323 -2.658 5.481 1.00 53.55 C ATOM 347 OG SER A 22 -10.352 -3.141 4.633 1.00 42.41 O ATOM 0 H SER A 22 -8.646 -0.853 3.707 1.00 32.43 H new ATOM 0 HA SER A 22 -10.390 -0.882 6.086 1.00 43.23 H new ATOM 0 HB2 SER A 22 -8.350 -2.917 5.063 1.00 53.55 H new ATOM 0 HB3 SER A 22 -9.391 -3.143 6.455 1.00 53.55 H new ATOM 0 HG SER A 22 -10.994 -3.660 5.161 1.00 42.41 H new ATOM 353 N ALA A 23 -7.070 -0.911 6.279 1.00 21.51 N ATOM 354 CA ALA A 23 -5.952 -0.526 7.143 1.00 34.53 C ATOM 355 C ALA A 23 -4.621 -0.473 6.382 1.00 12.41 C ATOM 356 O ALA A 23 -4.550 -0.792 5.192 1.00 52.52 O ATOM 357 CB ALA A 23 -5.847 -1.493 8.320 1.00 15.14 C ATOM 0 H ALA A 23 -6.795 -1.385 5.419 1.00 21.51 H new ATOM 0 HA ALA A 23 -6.154 0.480 7.511 1.00 34.53 H new ATOM 0 HB1 ALA A 23 -5.013 -1.200 8.958 1.00 15.14 H new ATOM 0 HB2 ALA A 23 -6.772 -1.466 8.896 1.00 15.14 H new ATOM 0 HB3 ALA A 23 -5.681 -2.504 7.947 1.00 15.14 H new ATOM 363 N LEU A 24 -3.567 -0.069 7.086 1.00 63.14 N ATOM 364 CA LEU A 24 -2.211 -0.067 6.533 1.00 23.14 C ATOM 365 C LEU A 24 -1.504 -1.400 6.834 1.00 2.25 C ATOM 366 O LEU A 24 -1.125 -1.669 7.975 1.00 42.33 O ATOM 367 CB LEU A 24 -1.412 1.110 7.113 1.00 0.31 C ATOM 368 CG LEU A 24 0.050 1.224 6.645 1.00 70.02 C ATOM 369 CD1 LEU A 24 0.138 1.365 5.125 1.00 22.51 C ATOM 370 CD2 LEU A 24 0.733 2.398 7.338 1.00 24.14 C ATOM 0 H LEU A 24 -3.625 0.264 8.048 1.00 63.14 H new ATOM 0 HA LEU A 24 -2.272 0.049 5.451 1.00 23.14 H new ATOM 0 HB2 LEU A 24 -1.928 2.036 6.858 1.00 0.31 H new ATOM 0 HB3 LEU A 24 -1.420 1.029 8.200 1.00 0.31 H new ATOM 0 HG LEU A 24 0.568 0.305 6.920 1.00 70.02 H new ATOM 0 HD11 LEU A 24 1.183 1.443 4.827 1.00 22.51 H new ATOM 0 HD12 LEU A 24 -0.310 0.491 4.652 1.00 22.51 H new ATOM 0 HD13 LEU A 24 -0.397 2.261 4.811 1.00 22.51 H new ATOM 0 HD21 LEU A 24 1.767 2.469 6.999 1.00 24.14 H new ATOM 0 HD22 LEU A 24 0.207 3.321 7.094 1.00 24.14 H new ATOM 0 HD23 LEU A 24 0.714 2.244 8.417 1.00 24.14 H new ATOM 382 N ARG A 25 -1.339 -2.229 5.805 1.00 71.23 N ATOM 383 CA ARG A 25 -0.742 -3.562 5.956 1.00 3.35 C ATOM 384 C ARG A 25 0.705 -3.482 6.470 1.00 71.31 C ATOM 385 O ARG A 25 1.030 -4.032 7.524 1.00 73.54 O ATOM 386 CB ARG A 25 -0.777 -4.305 4.612 1.00 64.22 C ATOM 387 CG ARG A 25 -0.199 -5.721 4.640 1.00 50.41 C ATOM 388 CD ARG A 25 -1.015 -6.665 5.520 1.00 42.03 C ATOM 389 NE ARG A 25 -0.680 -8.067 5.270 1.00 53.13 N ATOM 390 CZ ARG A 25 -1.423 -8.875 4.561 1.00 4.45 C ATOM 391 NH1 ARG A 25 -2.546 -8.463 4.060 1.00 72.42 N ATOM 392 NH2 ARG A 25 -1.039 -10.096 4.353 1.00 31.23 N ATOM 0 H ARG A 25 -1.612 -2.002 4.849 1.00 71.23 H new ATOM 0 HA ARG A 25 -1.329 -4.108 6.694 1.00 3.35 H new ATOM 0 HB2 ARG A 25 -1.811 -4.358 4.270 1.00 64.22 H new ATOM 0 HB3 ARG A 25 -0.227 -3.719 3.876 1.00 64.22 H new ATOM 0 HG2 ARG A 25 -0.162 -6.116 3.625 1.00 50.41 H new ATOM 0 HG3 ARG A 25 0.827 -5.684 5.005 1.00 50.41 H new ATOM 0 HD2 ARG A 25 -0.835 -6.430 6.569 1.00 42.03 H new ATOM 0 HD3 ARG A 25 -2.077 -6.507 5.335 1.00 42.03 H new ATOM 0 HE ARG A 25 0.182 -8.435 5.672 1.00 53.13 H new ATOM 0 HH11 ARG A 25 -2.854 -7.504 4.219 1.00 72.42 H new ATOM 0 HH12 ARG A 25 -3.122 -9.098 3.507 1.00 72.42 H new ATOM 0 HH21 ARG A 25 -0.156 -10.426 4.743 1.00 31.23 H new ATOM 0 HH22 ARG A 25 -1.620 -10.726 3.799 1.00 31.23 H new ATOM 406 N ARG A 26 1.571 -2.799 5.720 1.00 54.31 N ATOM 407 CA ARG A 26 2.993 -2.712 6.076 1.00 42.15 C ATOM 408 C ARG A 26 3.768 -1.745 5.169 1.00 70.15 C ATOM 409 O ARG A 26 3.674 -1.810 3.941 1.00 50.14 O ATOM 410 CB ARG A 26 3.635 -4.109 6.007 1.00 31.34 C ATOM 411 CG ARG A 26 5.114 -4.138 6.379 1.00 44.25 C ATOM 412 CD ARG A 26 5.658 -5.564 6.418 1.00 44.43 C ATOM 413 NE ARG A 26 4.895 -6.415 7.331 1.00 51.53 N ATOM 414 CZ ARG A 26 5.245 -7.620 7.690 1.00 33.11 C ATOM 415 NH1 ARG A 26 6.348 -8.149 7.273 1.00 33.42 N ATOM 416 NH2 ARG A 26 4.480 -8.302 8.477 1.00 74.41 N ATOM 0 H ARG A 26 1.318 -2.300 4.867 1.00 54.31 H new ATOM 0 HA ARG A 26 3.047 -2.322 7.092 1.00 42.15 H new ATOM 0 HB2 ARG A 26 3.091 -4.779 6.673 1.00 31.34 H new ATOM 0 HB3 ARG A 26 3.519 -4.500 4.996 1.00 31.34 H new ATOM 0 HG2 ARG A 26 5.682 -3.551 5.657 1.00 44.25 H new ATOM 0 HG3 ARG A 26 5.254 -3.668 7.353 1.00 44.25 H new ATOM 0 HD2 ARG A 26 5.630 -5.991 5.415 1.00 44.43 H new ATOM 0 HD3 ARG A 26 6.703 -5.545 6.727 1.00 44.43 H new ATOM 0 HE ARG A 26 4.027 -6.040 7.714 1.00 51.53 H new ATOM 0 HH11 ARG A 26 6.963 -7.623 6.652 1.00 33.42 H new ATOM 0 HH12 ARG A 26 6.604 -9.092 7.565 1.00 33.42 H new ATOM 0 HH21 ARG A 26 3.606 -7.898 8.815 1.00 74.41 H new ATOM 0 HH22 ARG A 26 4.750 -9.244 8.760 1.00 74.41 H new ATOM 430 N GLU A 27 4.529 -0.848 5.789 1.00 1.32 N ATOM 431 CA GLU A 27 5.465 0.023 5.071 1.00 12.55 C ATOM 432 C GLU A 27 6.887 -0.550 5.152 1.00 43.11 C ATOM 433 O GLU A 27 7.571 -0.395 6.168 1.00 23.24 O ATOM 434 CB GLU A 27 5.447 1.439 5.665 1.00 71.24 C ATOM 435 CG GLU A 27 4.070 2.092 5.687 1.00 62.42 C ATOM 436 CD GLU A 27 4.097 3.476 6.321 1.00 73.42 C ATOM 437 OE1 GLU A 27 3.948 3.571 7.559 1.00 2.53 O ATOM 438 OE2 GLU A 27 4.276 4.469 5.584 1.00 34.24 O ATOM 0 H GLU A 27 4.518 -0.702 6.798 1.00 1.32 H new ATOM 0 HA GLU A 27 5.155 0.074 4.027 1.00 12.55 H new ATOM 0 HB2 GLU A 27 5.833 1.398 6.683 1.00 71.24 H new ATOM 0 HB3 GLU A 27 6.126 2.070 5.092 1.00 71.24 H new ATOM 0 HG2 GLU A 27 3.690 2.169 4.668 1.00 62.42 H new ATOM 0 HG3 GLU A 27 3.377 1.456 6.238 1.00 62.42 H new ATOM 445 N VAL A 28 7.327 -1.230 4.100 1.00 33.23 N ATOM 446 CA VAL A 28 8.663 -1.830 4.092 1.00 31.12 C ATOM 447 C VAL A 28 9.749 -0.772 3.828 1.00 61.42 C ATOM 448 O VAL A 28 9.784 -0.149 2.765 1.00 61.50 O ATOM 449 CB VAL A 28 8.776 -2.987 3.061 1.00 13.33 C ATOM 450 CG1 VAL A 28 7.864 -4.146 3.456 1.00 43.50 C ATOM 451 CG2 VAL A 28 8.451 -2.513 1.646 1.00 44.43 C ATOM 0 H VAL A 28 6.787 -1.381 3.248 1.00 33.23 H new ATOM 0 HA VAL A 28 8.823 -2.252 5.084 1.00 31.12 H new ATOM 0 HB VAL A 28 9.810 -3.333 3.066 1.00 13.33 H new ATOM 0 HG11 VAL A 28 7.956 -4.947 2.723 1.00 43.50 H new ATOM 0 HG12 VAL A 28 8.154 -4.518 4.439 1.00 43.50 H new ATOM 0 HG13 VAL A 28 6.831 -3.801 3.489 1.00 43.50 H new ATOM 0 HG21 VAL A 28 8.541 -3.349 0.953 1.00 44.43 H new ATOM 0 HG22 VAL A 28 7.433 -2.125 1.617 1.00 44.43 H new ATOM 0 HG23 VAL A 28 9.147 -1.726 1.357 1.00 44.43 H new ATOM 461 N ARG A 29 10.614 -0.554 4.818 1.00 1.34 N ATOM 462 CA ARG A 29 11.700 0.426 4.702 1.00 60.55 C ATOM 463 C ARG A 29 12.964 -0.181 4.069 1.00 55.34 C ATOM 464 O ARG A 29 13.081 -1.399 3.915 1.00 44.04 O ATOM 465 CB ARG A 29 12.016 1.038 6.077 1.00 2.04 C ATOM 466 CG ARG A 29 10.946 2.016 6.563 1.00 73.22 C ATOM 467 CD ARG A 29 11.296 2.629 7.916 1.00 61.11 C ATOM 468 NE ARG A 29 10.416 3.747 8.255 1.00 35.01 N ATOM 469 CZ ARG A 29 9.336 3.649 8.991 1.00 0.14 C ATOM 470 NH1 ARG A 29 8.983 2.516 9.513 1.00 50.53 N ATOM 471 NH2 ARG A 29 8.625 4.701 9.223 1.00 23.02 N ATOM 0 H ARG A 29 10.586 -1.043 5.713 1.00 1.34 H new ATOM 0 HA ARG A 29 11.359 1.217 4.034 1.00 60.55 H new ATOM 0 HB2 ARG A 29 12.125 0.236 6.808 1.00 2.04 H new ATOM 0 HB3 ARG A 29 12.974 1.555 6.026 1.00 2.04 H new ATOM 0 HG2 ARG A 29 10.822 2.811 5.827 1.00 73.22 H new ATOM 0 HG3 ARG A 29 9.990 1.498 6.637 1.00 73.22 H new ATOM 0 HD2 ARG A 29 11.225 1.864 8.690 1.00 61.11 H new ATOM 0 HD3 ARG A 29 12.330 2.973 7.902 1.00 61.11 H new ATOM 0 HE ARG A 29 10.660 4.669 7.893 1.00 35.01 H new ATOM 0 HH11 ARG A 29 9.549 1.683 9.353 1.00 50.53 H new ATOM 0 HH12 ARG A 29 8.139 2.458 10.083 1.00 50.53 H new ATOM 0 HH21 ARG A 29 8.905 5.602 8.834 1.00 23.02 H new ATOM 0 HH22 ARG A 29 7.783 4.632 9.795 1.00 23.02 H new ATOM 485 N ILE A 30 13.908 0.683 3.708 1.00 44.34 N ATOM 486 CA ILE A 30 15.124 0.261 3.000 1.00 51.43 C ATOM 487 C ILE A 30 16.162 -0.347 3.960 1.00 2.23 C ATOM 488 O ILE A 30 16.594 0.300 4.913 1.00 44.44 O ATOM 489 CB ILE A 30 15.764 1.460 2.253 1.00 43.31 C ATOM 490 CG1 ILE A 30 14.710 2.167 1.378 1.00 60.20 C ATOM 491 CG2 ILE A 30 16.951 0.997 1.403 1.00 41.33 C ATOM 492 CD1 ILE A 30 15.201 3.444 0.731 1.00 34.45 C ATOM 0 H ILE A 30 13.859 1.685 3.893 1.00 44.34 H new ATOM 0 HA ILE A 30 14.826 -0.504 2.283 1.00 51.43 H new ATOM 0 HB ILE A 30 16.134 2.171 2.992 1.00 43.31 H new ATOM 0 HG12 ILE A 30 14.381 1.480 0.598 1.00 60.20 H new ATOM 0 HG13 ILE A 30 13.838 2.395 1.991 1.00 60.20 H new ATOM 0 HG21 ILE A 30 17.385 1.854 0.887 1.00 41.33 H new ATOM 0 HG22 ILE A 30 17.703 0.541 2.046 1.00 41.33 H new ATOM 0 HG23 ILE A 30 16.610 0.267 0.669 1.00 41.33 H new ATOM 0 HD11 ILE A 30 14.401 3.880 0.133 1.00 34.45 H new ATOM 0 HD12 ILE A 30 15.503 4.151 1.504 1.00 34.45 H new ATOM 0 HD13 ILE A 30 16.054 3.222 0.089 1.00 34.45 H new ATOM 504 N GLN A 31 16.560 -1.591 3.705 1.00 41.14 N ATOM 505 CA GLN A 31 17.559 -2.271 4.537 1.00 30.02 C ATOM 506 C GLN A 31 18.979 -2.059 3.980 1.00 71.12 C ATOM 507 O GLN A 31 19.317 -2.554 2.902 1.00 63.03 O ATOM 508 CB GLN A 31 17.232 -3.771 4.624 1.00 44.30 C ATOM 509 CG GLN A 31 18.141 -4.552 5.569 1.00 61.31 C ATOM 510 CD GLN A 31 17.749 -6.016 5.686 1.00 65.53 C ATOM 511 OE1 GLN A 31 17.225 -6.614 4.750 1.00 10.13 O ATOM 512 NE2 GLN A 31 17.999 -6.604 6.835 1.00 45.14 N ATOM 0 H GLN A 31 16.208 -2.152 2.929 1.00 41.14 H new ATOM 0 HA GLN A 31 17.526 -1.841 5.538 1.00 30.02 H new ATOM 0 HB2 GLN A 31 16.199 -3.889 4.951 1.00 44.30 H new ATOM 0 HB3 GLN A 31 17.302 -4.206 3.627 1.00 44.30 H new ATOM 0 HG2 GLN A 31 19.170 -4.483 5.216 1.00 61.31 H new ATOM 0 HG3 GLN A 31 18.111 -4.092 6.557 1.00 61.31 H new ATOM 0 HE21 GLN A 31 18.435 -6.079 7.592 1.00 45.14 H new ATOM 0 HE22 GLN A 31 17.757 -7.586 6.969 1.00 45.14 H new ATOM 521 N ASN A 32 19.805 -1.319 4.726 1.00 24.34 N ATOM 522 CA ASN A 32 21.169 -0.971 4.287 1.00 22.23 C ATOM 523 C ASN A 32 22.040 -2.211 4.021 1.00 65.12 C ATOM 524 O ASN A 32 21.729 -3.315 4.475 1.00 63.15 O ATOM 525 CB ASN A 32 21.856 -0.091 5.340 1.00 64.33 C ATOM 526 CG ASN A 32 21.104 1.199 5.611 1.00 43.22 C ATOM 527 OD1 ASN A 32 21.304 2.201 4.932 1.00 21.40 O ATOM 528 ND2 ASN A 32 20.243 1.190 6.609 1.00 2.44 N ATOM 0 H ASN A 32 19.555 -0.946 5.642 1.00 24.34 H new ATOM 0 HA ASN A 32 21.066 -0.428 3.347 1.00 22.23 H new ATOM 0 HB2 ASN A 32 21.952 -0.652 6.269 1.00 64.33 H new ATOM 0 HB3 ASN A 32 22.866 0.146 5.006 1.00 64.33 H new ATOM 0 HD21 ASN A 32 19.718 2.034 6.837 1.00 2.44 H new ATOM 0 HD22 ASN A 32 20.102 0.339 7.153 1.00 2.44 H new ATOM 535 N GLU A 33 23.144 -2.011 3.296 1.00 42.44 N ATOM 536 CA GLU A 33 24.105 -3.090 3.007 1.00 65.31 C ATOM 537 C GLU A 33 24.588 -3.773 4.302 1.00 14.11 C ATOM 538 O GLU A 33 24.864 -4.975 4.323 1.00 63.05 O ATOM 539 CB GLU A 33 25.315 -2.526 2.243 1.00 3.51 C ATOM 540 CG GLU A 33 24.961 -1.743 0.975 1.00 14.53 C ATOM 541 CD GLU A 33 24.310 -2.595 -0.105 1.00 51.10 C ATOM 542 OE1 GLU A 33 23.068 -2.709 -0.118 1.00 24.45 O ATOM 543 OE2 GLU A 33 25.037 -3.143 -0.962 1.00 64.42 O ATOM 0 H GLU A 33 23.399 -1.109 2.895 1.00 42.44 H new ATOM 0 HA GLU A 33 23.597 -3.835 2.395 1.00 65.31 H new ATOM 0 HB2 GLU A 33 25.878 -1.874 2.911 1.00 3.51 H new ATOM 0 HB3 GLU A 33 25.974 -3.351 1.972 1.00 3.51 H new ATOM 0 HG2 GLU A 33 24.287 -0.927 1.238 1.00 14.53 H new ATOM 0 HG3 GLU A 33 25.867 -1.291 0.572 1.00 14.53 H new ATOM 550 N ASP A 34 24.677 -2.991 5.379 1.00 11.53 N ATOM 551 CA ASP A 34 25.124 -3.488 6.690 1.00 35.43 C ATOM 552 C ASP A 34 24.126 -4.484 7.315 1.00 54.30 C ATOM 553 O ASP A 34 24.399 -5.072 8.364 1.00 1.02 O ATOM 554 CB ASP A 34 25.320 -2.305 7.640 1.00 23.42 C ATOM 555 CG ASP A 34 26.168 -1.210 7.024 1.00 40.33 C ATOM 556 OD1 ASP A 34 25.626 -0.424 6.219 1.00 22.10 O ATOM 557 OD2 ASP A 34 27.376 -1.137 7.330 1.00 22.31 O ATOM 0 H ASP A 34 24.443 -1.998 5.372 1.00 11.53 H new ATOM 0 HA ASP A 34 26.063 -4.019 6.535 1.00 35.43 H new ATOM 0 HB2 ASP A 34 24.347 -1.897 7.915 1.00 23.42 H new ATOM 0 HB3 ASP A 34 25.791 -2.653 8.559 1.00 23.42 H new ATOM 562 N GLY A 35 22.962 -4.645 6.690 1.00 73.24 N ATOM 563 CA GLY A 35 21.941 -5.549 7.212 1.00 55.13 C ATOM 564 C GLY A 35 20.924 -4.854 8.113 1.00 52.23 C ATOM 565 O GLY A 35 19.904 -5.435 8.472 1.00 72.43 O ATOM 0 H GLY A 35 22.704 -4.165 5.828 1.00 73.24 H new ATOM 0 HA2 GLY A 35 21.418 -6.016 6.377 1.00 55.13 H new ATOM 0 HA3 GLY A 35 22.426 -6.349 7.772 1.00 55.13 H new ATOM 569 N SER A 36 21.199 -3.604 8.479 1.00 23.04 N ATOM 570 CA SER A 36 20.297 -2.831 9.349 1.00 12.11 C ATOM 571 C SER A 36 19.316 -1.982 8.530 1.00 40.44 C ATOM 572 O SER A 36 19.662 -1.468 7.465 1.00 31.11 O ATOM 573 CB SER A 36 21.103 -1.923 10.286 1.00 32.42 C ATOM 574 OG SER A 36 22.029 -2.674 11.059 1.00 15.35 O ATOM 0 H SER A 36 22.037 -3.100 8.190 1.00 23.04 H new ATOM 0 HA SER A 36 19.723 -3.545 9.940 1.00 12.11 H new ATOM 0 HB2 SER A 36 21.637 -1.174 9.701 1.00 32.42 H new ATOM 0 HB3 SER A 36 20.424 -1.385 10.948 1.00 32.42 H new ATOM 0 HG SER A 36 22.530 -2.070 11.646 1.00 15.35 H new ATOM 580 N VAL A 37 18.097 -1.826 9.039 1.00 3.31 N ATOM 581 CA VAL A 37 17.048 -1.066 8.345 1.00 60.01 C ATOM 582 C VAL A 37 17.288 0.455 8.449 1.00 30.35 C ATOM 583 O VAL A 37 17.904 0.930 9.401 1.00 74.54 O ATOM 584 CB VAL A 37 15.650 -1.410 8.923 1.00 13.13 C ATOM 585 CG1 VAL A 37 14.532 -0.750 8.116 1.00 23.22 C ATOM 586 CG2 VAL A 37 15.456 -2.926 8.991 1.00 61.23 C ATOM 0 H VAL A 37 17.805 -2.216 9.935 1.00 3.31 H new ATOM 0 HA VAL A 37 17.085 -1.350 7.293 1.00 60.01 H new ATOM 0 HB VAL A 37 15.599 -1.011 9.936 1.00 13.13 H new ATOM 0 HG11 VAL A 37 13.567 -1.013 8.549 1.00 23.22 H new ATOM 0 HG12 VAL A 37 14.657 0.333 8.138 1.00 23.22 H new ATOM 0 HG13 VAL A 37 14.574 -1.099 7.084 1.00 23.22 H new ATOM 0 HG21 VAL A 37 14.470 -3.149 9.399 1.00 61.23 H new ATOM 0 HG22 VAL A 37 15.538 -3.349 7.990 1.00 61.23 H new ATOM 0 HG23 VAL A 37 16.221 -3.362 9.633 1.00 61.23 H new ATOM 596 N SER A 38 16.818 1.211 7.457 1.00 33.25 N ATOM 597 CA SER A 38 16.969 2.678 7.448 1.00 13.24 C ATOM 598 C SER A 38 15.651 3.385 7.784 1.00 72.40 C ATOM 599 O SER A 38 14.592 2.757 7.857 1.00 2.12 O ATOM 600 CB SER A 38 17.456 3.161 6.073 1.00 51.34 C ATOM 601 OG SER A 38 17.677 4.569 6.058 1.00 22.21 O ATOM 0 H SER A 38 16.328 0.837 6.645 1.00 33.25 H new ATOM 0 HA SER A 38 17.705 2.928 8.212 1.00 13.24 H new ATOM 0 HB2 SER A 38 18.380 2.645 5.812 1.00 51.34 H new ATOM 0 HB3 SER A 38 16.719 2.900 5.313 1.00 51.34 H new ATOM 0 HG SER A 38 17.988 4.842 5.169 1.00 22.21 H new ATOM 607 N ASP A 39 15.728 4.698 7.983 1.00 2.13 N ATOM 608 CA ASP A 39 14.547 5.524 8.246 1.00 31.00 C ATOM 609 C ASP A 39 13.685 5.671 6.979 1.00 13.52 C ATOM 610 O ASP A 39 12.467 5.847 7.052 1.00 33.14 O ATOM 611 CB ASP A 39 14.981 6.911 8.735 1.00 51.41 C ATOM 612 CG ASP A 39 16.023 6.835 9.835 1.00 53.23 C ATOM 613 OD1 ASP A 39 17.228 6.735 9.509 1.00 71.44 O ATOM 614 OD2 ASP A 39 15.647 6.861 11.026 1.00 32.21 O ATOM 0 H ASP A 39 16.604 5.220 7.967 1.00 2.13 H new ATOM 0 HA ASP A 39 13.951 5.033 9.016 1.00 31.00 H new ATOM 0 HB2 ASP A 39 15.382 7.480 7.896 1.00 51.41 H new ATOM 0 HB3 ASP A 39 14.109 7.454 9.100 1.00 51.41 H new ATOM 619 N GLU A 40 14.335 5.592 5.820 1.00 62.22 N ATOM 620 CA GLU A 40 13.663 5.770 4.531 1.00 43.05 C ATOM 621 C GLU A 40 12.821 4.550 4.143 1.00 13.33 C ATOM 622 O GLU A 40 13.182 3.408 4.425 1.00 1.25 O ATOM 623 CB GLU A 40 14.699 6.064 3.443 1.00 44.42 C ATOM 624 CG GLU A 40 15.477 7.352 3.680 1.00 44.33 C ATOM 625 CD GLU A 40 14.624 8.602 3.521 1.00 71.12 C ATOM 626 OE1 GLU A 40 13.965 9.017 4.496 1.00 54.24 O ATOM 627 OE2 GLU A 40 14.612 9.177 2.412 1.00 63.20 O ATOM 0 H GLU A 40 15.335 5.404 5.746 1.00 62.22 H new ATOM 0 HA GLU A 40 12.981 6.615 4.629 1.00 43.05 H new ATOM 0 HB2 GLU A 40 15.399 5.231 3.384 1.00 44.42 H new ATOM 0 HB3 GLU A 40 14.195 6.125 2.479 1.00 44.42 H new ATOM 0 HG2 GLU A 40 15.901 7.334 4.684 1.00 44.33 H new ATOM 0 HG3 GLU A 40 16.313 7.398 2.982 1.00 44.33 H new ATOM 634 N ILE A 41 11.708 4.811 3.466 1.00 41.22 N ATOM 635 CA ILE A 41 10.747 3.767 3.094 1.00 55.02 C ATOM 636 C ILE A 41 10.944 3.318 1.633 1.00 54.32 C ATOM 637 O ILE A 41 11.449 4.073 0.803 1.00 64.34 O ATOM 638 CB ILE A 41 9.286 4.260 3.297 1.00 51.34 C ATOM 639 CG1 ILE A 41 9.097 4.776 4.735 1.00 74.54 C ATOM 640 CG2 ILE A 41 8.283 3.143 2.991 1.00 13.34 C ATOM 641 CD1 ILE A 41 7.708 5.311 5.021 1.00 30.24 C ATOM 0 H ILE A 41 11.443 5.747 3.159 1.00 41.22 H new ATOM 0 HA ILE A 41 10.928 2.913 3.747 1.00 55.02 H new ATOM 0 HB ILE A 41 9.100 5.078 2.602 1.00 51.34 H new ATOM 0 HG12 ILE A 41 9.314 3.966 5.432 1.00 74.54 H new ATOM 0 HG13 ILE A 41 9.825 5.564 4.926 1.00 74.54 H new ATOM 0 HG21 ILE A 41 7.269 3.514 3.141 1.00 13.34 H new ATOM 0 HG22 ILE A 41 8.402 2.820 1.957 1.00 13.34 H new ATOM 0 HG23 ILE A 41 8.463 2.300 3.658 1.00 13.34 H new ATOM 0 HD11 ILE A 41 7.656 5.655 6.054 1.00 30.24 H new ATOM 0 HD12 ILE A 41 7.493 6.143 4.350 1.00 30.24 H new ATOM 0 HD13 ILE A 41 6.974 4.520 4.864 1.00 30.24 H new ATOM 653 N LYS A 42 10.558 2.079 1.331 1.00 25.11 N ATOM 654 CA LYS A 42 10.673 1.532 -0.026 1.00 10.42 C ATOM 655 C LYS A 42 9.289 1.381 -0.690 1.00 42.33 C ATOM 656 O LYS A 42 9.028 1.960 -1.749 1.00 15.44 O ATOM 657 CB LYS A 42 11.375 0.168 0.027 1.00 15.31 C ATOM 658 CG LYS A 42 11.662 -0.437 -1.344 1.00 70.34 C ATOM 659 CD LYS A 42 12.731 0.347 -2.102 1.00 55.14 C ATOM 660 CE LYS A 42 13.023 -0.267 -3.466 1.00 24.24 C ATOM 661 NZ LYS A 42 13.478 -1.681 -3.360 1.00 53.21 N ATOM 0 H LYS A 42 10.160 1.430 2.010 1.00 25.11 H new ATOM 0 HA LYS A 42 11.260 2.228 -0.625 1.00 10.42 H new ATOM 0 HB2 LYS A 42 12.315 0.275 0.569 1.00 15.31 H new ATOM 0 HB3 LYS A 42 10.756 -0.526 0.596 1.00 15.31 H new ATOM 0 HG2 LYS A 42 11.987 -1.470 -1.224 1.00 70.34 H new ATOM 0 HG3 LYS A 42 10.744 -0.458 -1.931 1.00 70.34 H new ATOM 0 HD2 LYS A 42 12.403 1.378 -2.231 1.00 55.14 H new ATOM 0 HD3 LYS A 42 13.647 0.375 -1.512 1.00 55.14 H new ATOM 0 HE2 LYS A 42 12.126 -0.221 -4.083 1.00 24.24 H new ATOM 0 HE3 LYS A 42 13.788 0.322 -3.972 1.00 24.24 H new ATOM 0 HZ1 LYS A 42 13.888 -1.983 -4.267 1.00 53.21 H new ATOM 0 HZ2 LYS A 42 14.197 -1.759 -2.612 1.00 53.21 H new ATOM 0 HZ3 LYS A 42 12.668 -2.290 -3.126 1.00 53.21 H new ATOM 675 N GLU A 43 8.405 0.601 -0.059 1.00 72.53 N ATOM 676 CA GLU A 43 7.045 0.375 -0.577 1.00 11.41 C ATOM 677 C GLU A 43 5.996 0.457 0.550 1.00 52.52 C ATOM 678 O GLU A 43 6.219 -0.026 1.664 1.00 14.14 O ATOM 679 CB GLU A 43 6.960 -0.998 -1.272 1.00 31.45 C ATOM 680 CG GLU A 43 7.981 -1.188 -2.390 1.00 53.12 C ATOM 681 CD GLU A 43 7.859 -2.534 -3.095 1.00 24.13 C ATOM 682 OE1 GLU A 43 7.030 -2.660 -4.022 1.00 55.01 O ATOM 683 OE2 GLU A 43 8.602 -3.474 -2.729 1.00 54.53 O ATOM 0 H GLU A 43 8.605 0.113 0.814 1.00 72.53 H new ATOM 0 HA GLU A 43 6.829 1.160 -1.302 1.00 11.41 H new ATOM 0 HB2 GLU A 43 7.101 -1.781 -0.527 1.00 31.45 H new ATOM 0 HB3 GLU A 43 5.958 -1.125 -1.682 1.00 31.45 H new ATOM 0 HG2 GLU A 43 7.860 -0.390 -3.122 1.00 53.12 H new ATOM 0 HG3 GLU A 43 8.985 -1.092 -1.976 1.00 53.12 H new ATOM 690 N ARG A 44 4.852 1.073 0.250 1.00 21.34 N ATOM 691 CA ARG A 44 3.743 1.201 1.213 1.00 53.32 C ATOM 692 C ARG A 44 2.572 0.279 0.838 1.00 31.33 C ATOM 693 O ARG A 44 1.907 0.486 -0.174 1.00 73.23 O ATOM 694 CB ARG A 44 3.258 2.658 1.273 1.00 55.34 C ATOM 695 CG ARG A 44 4.196 3.595 2.025 1.00 74.31 C ATOM 696 CD ARG A 44 3.705 5.041 1.996 1.00 64.33 C ATOM 697 NE ARG A 44 4.304 5.838 3.064 1.00 12.30 N ATOM 698 CZ ARG A 44 4.645 7.092 2.954 1.00 25.50 C ATOM 699 NH1 ARG A 44 4.508 7.725 1.829 1.00 61.53 N ATOM 700 NH2 ARG A 44 5.125 7.712 3.983 1.00 10.52 N ATOM 0 H ARG A 44 4.663 1.496 -0.658 1.00 21.34 H new ATOM 0 HA ARG A 44 4.115 0.902 2.193 1.00 53.32 H new ATOM 0 HB2 ARG A 44 3.129 3.029 0.256 1.00 55.34 H new ATOM 0 HB3 ARG A 44 2.277 2.684 1.748 1.00 55.34 H new ATOM 0 HG2 ARG A 44 4.287 3.264 3.059 1.00 74.31 H new ATOM 0 HG3 ARG A 44 5.192 3.541 1.585 1.00 74.31 H new ATOM 0 HD2 ARG A 44 3.945 5.487 1.031 1.00 64.33 H new ATOM 0 HD3 ARG A 44 2.620 5.059 2.094 1.00 64.33 H new ATOM 0 HE ARG A 44 4.467 5.380 3.961 1.00 12.30 H new ATOM 0 HH11 ARG A 44 4.129 7.242 1.015 1.00 61.53 H new ATOM 0 HH12 ARG A 44 4.779 8.706 1.759 1.00 61.53 H new ATOM 0 HH21 ARG A 44 5.234 7.220 4.870 1.00 10.52 H new ATOM 0 HH22 ARG A 44 5.395 8.693 3.907 1.00 10.52 H new ATOM 714 N THR A 45 2.317 -0.737 1.660 1.00 13.01 N ATOM 715 CA THR A 45 1.261 -1.721 1.372 1.00 71.10 C ATOM 716 C THR A 45 -0.005 -1.500 2.221 1.00 24.31 C ATOM 717 O THR A 45 0.044 -1.508 3.452 1.00 34.41 O ATOM 718 CB THR A 45 1.772 -3.167 1.591 1.00 41.21 C ATOM 719 OG1 THR A 45 2.920 -3.423 0.758 1.00 50.22 O ATOM 720 CG2 THR A 45 0.681 -4.188 1.275 1.00 72.23 C ATOM 0 H THR A 45 2.822 -0.905 2.530 1.00 13.01 H new ATOM 0 HA THR A 45 0.995 -1.578 0.325 1.00 71.10 H new ATOM 0 HB THR A 45 2.052 -3.266 2.640 1.00 41.21 H new ATOM 0 HG1 THR A 45 3.421 -4.185 1.117 1.00 50.22 H new ATOM 0 HG21 THR A 45 1.067 -5.195 1.437 1.00 72.23 H new ATOM 0 HG22 THR A 45 -0.176 -4.018 1.927 1.00 72.23 H new ATOM 0 HG23 THR A 45 0.373 -4.081 0.235 1.00 72.23 H new ATOM 728 N TYR A 46 -1.133 -1.307 1.543 1.00 4.22 N ATOM 729 CA TYR A 46 -2.451 -1.181 2.185 1.00 73.22 C ATOM 730 C TYR A 46 -3.301 -2.450 1.987 1.00 2.54 C ATOM 731 O TYR A 46 -3.040 -3.255 1.092 1.00 51.30 O ATOM 732 CB TYR A 46 -3.217 0.015 1.597 1.00 4.24 C ATOM 733 CG TYR A 46 -2.867 1.365 2.196 1.00 50.01 C ATOM 734 CD1 TYR A 46 -3.230 1.671 3.503 1.00 62.13 C ATOM 735 CD2 TYR A 46 -2.214 2.345 1.453 1.00 31.13 C ATOM 736 CE1 TYR A 46 -2.950 2.906 4.052 1.00 71.10 C ATOM 737 CE2 TYR A 46 -1.941 3.587 1.994 1.00 31.14 C ATOM 738 CZ TYR A 46 -2.310 3.860 3.295 1.00 52.23 C ATOM 739 OH TYR A 46 -2.063 5.100 3.833 1.00 24.42 O ATOM 0 H TYR A 46 -1.165 -1.232 0.526 1.00 4.22 H new ATOM 0 HA TYR A 46 -2.277 -1.033 3.251 1.00 73.22 H new ATOM 0 HB2 TYR A 46 -3.031 0.053 0.524 1.00 4.24 H new ATOM 0 HB3 TYR A 46 -4.285 -0.157 1.730 1.00 4.24 H new ATOM 0 HD1 TYR A 46 -3.740 0.929 4.099 1.00 62.13 H new ATOM 0 HD2 TYR A 46 -1.916 2.131 0.437 1.00 31.13 H new ATOM 0 HE1 TYR A 46 -3.232 3.123 5.072 1.00 71.10 H new ATOM 0 HE2 TYR A 46 -1.442 4.340 1.402 1.00 31.14 H new ATOM 0 HH TYR A 46 -2.165 5.060 4.807 1.00 24.42 H new ATOM 749 N ASP A 47 -4.324 -2.612 2.824 1.00 31.34 N ATOM 750 CA ASP A 47 -5.312 -3.688 2.655 1.00 30.10 C ATOM 751 C ASP A 47 -6.664 -3.123 2.188 1.00 42.21 C ATOM 752 O ASP A 47 -7.308 -2.343 2.902 1.00 23.33 O ATOM 753 CB ASP A 47 -5.508 -4.455 3.967 1.00 72.25 C ATOM 754 CG ASP A 47 -4.292 -5.277 4.360 1.00 74.43 C ATOM 755 OD1 ASP A 47 -3.792 -6.054 3.515 1.00 55.21 O ATOM 756 OD2 ASP A 47 -3.837 -5.153 5.515 1.00 15.32 O ATOM 0 H ASP A 47 -4.495 -2.012 3.631 1.00 31.34 H new ATOM 0 HA ASP A 47 -4.930 -4.370 1.895 1.00 30.10 H new ATOM 0 HB2 ASP A 47 -5.735 -3.748 4.765 1.00 72.25 H new ATOM 0 HB3 ASP A 47 -6.370 -5.115 3.871 1.00 72.25 H new ATOM 761 N LEU A 48 -7.091 -3.506 0.985 1.00 3.45 N ATOM 762 CA LEU A 48 -8.399 -3.095 0.459 1.00 40.14 C ATOM 763 C LEU A 48 -9.337 -4.304 0.328 1.00 53.31 C ATOM 764 O LEU A 48 -8.898 -5.408 0.006 1.00 35.13 O ATOM 765 CB LEU A 48 -8.246 -2.403 -0.907 1.00 2.13 C ATOM 766 CG LEU A 48 -7.379 -1.132 -0.917 1.00 12.33 C ATOM 767 CD1 LEU A 48 -7.395 -0.475 -2.299 1.00 3.04 C ATOM 768 CD2 LEU A 48 -7.838 -0.149 0.158 1.00 35.10 C ATOM 0 H LEU A 48 -6.553 -4.100 0.354 1.00 3.45 H new ATOM 0 HA LEU A 48 -8.834 -2.387 1.164 1.00 40.14 H new ATOM 0 HB2 LEU A 48 -7.819 -3.118 -1.610 1.00 2.13 H new ATOM 0 HB3 LEU A 48 -9.239 -2.147 -1.277 1.00 2.13 H new ATOM 0 HG LEU A 48 -6.353 -1.422 -0.691 1.00 12.33 H new ATOM 0 HD11 LEU A 48 -6.776 0.422 -2.283 1.00 3.04 H new ATOM 0 HD12 LEU A 48 -7.003 -1.173 -3.038 1.00 3.04 H new ATOM 0 HD13 LEU A 48 -8.418 -0.205 -2.562 1.00 3.04 H new ATOM 0 HD21 LEU A 48 -7.209 0.741 0.130 1.00 35.10 H new ATOM 0 HD22 LEU A 48 -8.875 0.133 -0.026 1.00 35.10 H new ATOM 0 HD23 LEU A 48 -7.758 -0.619 1.138 1.00 35.10 H new ATOM 780 N LYS A 49 -10.627 -4.098 0.582 1.00 41.23 N ATOM 781 CA LYS A 49 -11.616 -5.182 0.488 1.00 61.32 C ATOM 782 C LYS A 49 -12.429 -5.085 -0.812 1.00 72.42 C ATOM 783 O LYS A 49 -13.021 -4.045 -1.110 1.00 21.02 O ATOM 784 CB LYS A 49 -12.568 -5.146 1.694 1.00 31.43 C ATOM 785 CG LYS A 49 -11.866 -5.184 3.047 1.00 11.30 C ATOM 786 CD LYS A 49 -11.015 -6.440 3.233 1.00 71.41 C ATOM 787 CE LYS A 49 -11.862 -7.710 3.315 1.00 64.00 C ATOM 788 NZ LYS A 49 -12.754 -7.717 4.506 1.00 1.41 N ATOM 0 H LYS A 49 -11.016 -3.195 0.854 1.00 41.23 H new ATOM 0 HA LYS A 49 -11.071 -6.126 0.485 1.00 61.32 H new ATOM 0 HB2 LYS A 49 -13.174 -4.242 1.637 1.00 31.43 H new ATOM 0 HB3 LYS A 49 -13.252 -5.992 1.628 1.00 31.43 H new ATOM 0 HG2 LYS A 49 -11.233 -4.302 3.149 1.00 11.30 H new ATOM 0 HG3 LYS A 49 -12.612 -5.134 3.841 1.00 11.30 H new ATOM 0 HD2 LYS A 49 -10.314 -6.527 2.403 1.00 71.41 H new ATOM 0 HD3 LYS A 49 -10.422 -6.343 4.142 1.00 71.41 H new ATOM 0 HE2 LYS A 49 -12.465 -7.801 2.412 1.00 64.00 H new ATOM 0 HE3 LYS A 49 -11.206 -8.580 3.350 1.00 64.00 H new ATOM 0 HZ1 LYS A 49 -13.154 -8.668 4.634 1.00 1.41 H new ATOM 0 HZ2 LYS A 49 -12.207 -7.455 5.351 1.00 1.41 H new ATOM 0 HZ3 LYS A 49 -13.525 -7.033 4.366 1.00 1.41 H new ATOM 802 N SER A 50 -12.454 -6.177 -1.575 1.00 4.42 N ATOM 803 CA SER A 50 -13.220 -6.241 -2.828 1.00 14.31 C ATOM 804 C SER A 50 -14.705 -6.545 -2.569 1.00 11.13 C ATOM 805 O SER A 50 -15.042 -7.568 -1.979 1.00 1.43 O ATOM 806 CB SER A 50 -12.633 -7.317 -3.757 1.00 42.43 C ATOM 807 OG SER A 50 -11.277 -7.043 -4.078 1.00 55.04 O ATOM 0 H SER A 50 -11.951 -7.035 -1.349 1.00 4.42 H new ATOM 0 HA SER A 50 -13.148 -5.264 -3.305 1.00 14.31 H new ATOM 0 HB2 SER A 50 -12.704 -8.293 -3.276 1.00 42.43 H new ATOM 0 HB3 SER A 50 -13.222 -7.369 -4.673 1.00 42.43 H new ATOM 0 HG SER A 50 -10.932 -7.745 -4.668 1.00 55.04 H new ATOM 866 N ARG A 55 -12.930 -10.058 0.138 1.00 12.41 N ATOM 867 CA ARG A 55 -11.568 -10.555 0.363 1.00 71.21 C ATOM 868 C ARG A 55 -10.560 -9.397 0.426 1.00 42.21 C ATOM 869 O ARG A 55 -10.780 -8.338 -0.166 1.00 10.24 O ATOM 870 CB ARG A 55 -11.175 -11.540 -0.746 1.00 21.40 C ATOM 871 CG ARG A 55 -12.097 -12.753 -0.845 1.00 42.41 C ATOM 872 CD ARG A 55 -11.578 -13.773 -1.851 1.00 74.24 C ATOM 873 NE ARG A 55 -12.484 -14.909 -2.020 1.00 73.50 N ATOM 874 CZ ARG A 55 -12.098 -16.111 -2.358 1.00 70.11 C ATOM 875 NH1 ARG A 55 -10.836 -16.392 -2.455 1.00 33.11 N ATOM 876 NH2 ARG A 55 -12.975 -17.040 -2.557 1.00 74.41 N ATOM 0 HA ARG A 55 -11.549 -11.072 1.322 1.00 71.21 H new ATOM 0 HB2 ARG A 55 -11.175 -11.016 -1.702 1.00 21.40 H new ATOM 0 HB3 ARG A 55 -10.155 -11.883 -0.570 1.00 21.40 H new ATOM 0 HG2 ARG A 55 -12.188 -13.222 0.135 1.00 42.41 H new ATOM 0 HG3 ARG A 55 -13.096 -12.429 -1.138 1.00 42.41 H new ATOM 0 HD2 ARG A 55 -11.430 -13.285 -2.814 1.00 74.24 H new ATOM 0 HD3 ARG A 55 -10.603 -14.136 -1.525 1.00 74.24 H new ATOM 0 HE ARG A 55 -13.480 -14.753 -1.864 1.00 73.50 H new ATOM 0 HH11 ARG A 55 -10.137 -15.673 -2.267 1.00 33.11 H new ATOM 0 HH12 ARG A 55 -10.542 -17.332 -2.719 1.00 33.11 H new ATOM 0 HH21 ARG A 55 -13.968 -16.835 -2.450 1.00 74.41 H new ATOM 0 HH22 ARG A 55 -12.673 -17.978 -2.821 1.00 74.41 H new ATOM 890 N MET A 56 -9.462 -9.601 1.149 1.00 4.10 N ATOM 891 CA MET A 56 -8.458 -8.547 1.344 1.00 2.40 C ATOM 892 C MET A 56 -7.303 -8.646 0.326 1.00 11.52 C ATOM 893 O MET A 56 -6.533 -9.608 0.328 1.00 23.43 O ATOM 894 CB MET A 56 -7.910 -8.592 2.781 1.00 70.20 C ATOM 895 CG MET A 56 -7.307 -9.932 3.181 1.00 24.34 C ATOM 896 SD MET A 56 -6.623 -9.928 4.852 1.00 1.41 S ATOM 897 CE MET A 56 -8.078 -9.533 5.821 1.00 15.20 C ATOM 0 H MET A 56 -9.241 -10.483 1.611 1.00 4.10 H new ATOM 0 HA MET A 56 -8.954 -7.591 1.177 1.00 2.40 H new ATOM 0 HB2 MET A 56 -7.151 -7.818 2.892 1.00 70.20 H new ATOM 0 HB3 MET A 56 -8.717 -8.349 3.473 1.00 70.20 H new ATOM 0 HG2 MET A 56 -8.073 -10.704 3.110 1.00 24.34 H new ATOM 0 HG3 MET A 56 -6.521 -10.196 2.473 1.00 24.34 H new ATOM 0 HE1 MET A 56 -7.912 -9.819 6.860 1.00 15.20 H new ATOM 0 HE2 MET A 56 -8.272 -8.462 5.766 1.00 15.20 H new ATOM 0 HE3 MET A 56 -8.936 -10.078 5.428 1.00 15.20 H new ATOM 907 N ILE A 57 -7.197 -7.648 -0.542 1.00 71.32 N ATOM 908 CA ILE A 57 -6.095 -7.563 -1.509 1.00 34.21 C ATOM 909 C ILE A 57 -5.003 -6.601 -1.005 1.00 1.02 C ATOM 910 O ILE A 57 -5.309 -5.516 -0.502 1.00 52.35 O ATOM 911 CB ILE A 57 -6.609 -7.092 -2.898 1.00 3.40 C ATOM 912 CG1 ILE A 57 -7.339 -5.740 -2.773 1.00 10.40 C ATOM 913 CG2 ILE A 57 -7.530 -8.152 -3.516 1.00 2.53 C ATOM 914 CD1 ILE A 57 -7.846 -5.182 -4.090 1.00 61.33 C ATOM 0 H ILE A 57 -7.863 -6.878 -0.601 1.00 71.32 H new ATOM 0 HA ILE A 57 -5.668 -8.560 -1.614 1.00 34.21 H new ATOM 0 HB ILE A 57 -5.752 -6.957 -3.558 1.00 3.40 H new ATOM 0 HG12 ILE A 57 -8.182 -5.857 -2.092 1.00 10.40 H new ATOM 0 HG13 ILE A 57 -6.662 -5.015 -2.321 1.00 10.40 H new ATOM 0 HG21 ILE A 57 -7.881 -7.807 -4.488 1.00 2.53 H new ATOM 0 HG22 ILE A 57 -6.980 -9.085 -3.639 1.00 2.53 H new ATOM 0 HG23 ILE A 57 -8.384 -8.319 -2.860 1.00 2.53 H new ATOM 0 HD11 ILE A 57 -8.347 -4.230 -3.913 1.00 61.33 H new ATOM 0 HD12 ILE A 57 -7.006 -5.030 -4.768 1.00 61.33 H new ATOM 0 HD13 ILE A 57 -8.550 -5.885 -4.536 1.00 61.33 H new ATOM 926 N GLN A 58 -3.731 -6.996 -1.127 1.00 15.43 N ATOM 927 CA GLN A 58 -2.629 -6.151 -0.651 1.00 21.02 C ATOM 928 C GLN A 58 -2.200 -5.160 -1.738 1.00 11.53 C ATOM 929 O GLN A 58 -1.527 -5.527 -2.696 1.00 50.52 O ATOM 930 CB GLN A 58 -1.429 -7.017 -0.229 1.00 62.33 C ATOM 931 CG GLN A 58 -1.640 -7.837 1.046 1.00 23.15 C ATOM 932 CD GLN A 58 -2.860 -8.743 0.991 1.00 71.44 C ATOM 933 OE1 GLN A 58 -2.796 -9.868 0.509 1.00 3.51 O ATOM 934 NE2 GLN A 58 -3.977 -8.275 1.514 1.00 15.13 N ATOM 0 H GLN A 58 -3.441 -7.881 -1.544 1.00 15.43 H new ATOM 0 HA GLN A 58 -2.981 -5.591 0.215 1.00 21.02 H new ATOM 0 HB2 GLN A 58 -1.187 -7.698 -1.045 1.00 62.33 H new ATOM 0 HB3 GLN A 58 -0.564 -6.369 -0.087 1.00 62.33 H new ATOM 0 HG2 GLN A 58 -0.754 -8.445 1.228 1.00 23.15 H new ATOM 0 HG3 GLN A 58 -1.740 -7.158 1.893 1.00 23.15 H new ATOM 0 HE21 GLN A 58 -4.001 -7.335 1.908 1.00 15.13 H new ATOM 0 HE22 GLN A 58 -4.817 -8.854 1.524 1.00 15.13 H new ATOM 943 N VAL A 59 -2.587 -3.901 -1.585 1.00 54.22 N ATOM 944 CA VAL A 59 -2.265 -2.871 -2.575 1.00 54.22 C ATOM 945 C VAL A 59 -0.994 -2.107 -2.194 1.00 21.52 C ATOM 946 O VAL A 59 -0.962 -1.392 -1.196 1.00 72.43 O ATOM 947 CB VAL A 59 -3.440 -1.879 -2.754 1.00 23.04 C ATOM 948 CG1 VAL A 59 -3.077 -0.778 -3.753 1.00 73.55 C ATOM 949 CG2 VAL A 59 -4.700 -2.624 -3.196 1.00 12.43 C ATOM 0 H VAL A 59 -3.125 -3.564 -0.786 1.00 54.22 H new ATOM 0 HA VAL A 59 -2.091 -3.382 -3.522 1.00 54.22 H new ATOM 0 HB VAL A 59 -3.640 -1.404 -1.794 1.00 23.04 H new ATOM 0 HG11 VAL A 59 -3.918 -0.094 -3.862 1.00 73.55 H new ATOM 0 HG12 VAL A 59 -2.208 -0.230 -3.390 1.00 73.55 H new ATOM 0 HG13 VAL A 59 -2.846 -1.226 -4.720 1.00 73.55 H new ATOM 0 HG21 VAL A 59 -5.518 -1.914 -3.318 1.00 12.43 H new ATOM 0 HG22 VAL A 59 -4.511 -3.127 -4.144 1.00 12.43 H new ATOM 0 HG23 VAL A 59 -4.970 -3.362 -2.441 1.00 12.43 H new ATOM 959 N SER A 60 0.052 -2.254 -2.999 1.00 4.40 N ATOM 960 CA SER A 60 1.351 -1.640 -2.689 1.00 15.42 C ATOM 961 C SER A 60 1.650 -0.450 -3.610 1.00 11.43 C ATOM 962 O SER A 60 1.512 -0.540 -4.832 1.00 41.14 O ATOM 963 CB SER A 60 2.477 -2.675 -2.792 1.00 75.11 C ATOM 964 OG SER A 60 3.714 -2.120 -2.384 1.00 14.32 O ATOM 0 H SER A 60 0.033 -2.788 -3.868 1.00 4.40 H new ATOM 0 HA SER A 60 1.298 -1.270 -1.665 1.00 15.42 H new ATOM 0 HB2 SER A 60 2.240 -3.539 -2.172 1.00 75.11 H new ATOM 0 HB3 SER A 60 2.555 -3.032 -3.819 1.00 75.11 H new ATOM 0 HG SER A 60 4.417 -2.799 -2.457 1.00 14.32 H new ATOM 970 N ILE A 61 2.056 0.664 -3.008 1.00 21.12 N ATOM 971 CA ILE A 61 2.395 1.883 -3.751 1.00 61.52 C ATOM 972 C ILE A 61 3.830 2.348 -3.439 1.00 24.24 C ATOM 973 O ILE A 61 4.332 2.141 -2.330 1.00 34.21 O ATOM 974 CB ILE A 61 1.397 3.030 -3.434 1.00 40.43 C ATOM 975 CG1 ILE A 61 1.303 3.256 -1.912 1.00 25.21 C ATOM 976 CG2 ILE A 61 0.022 2.725 -4.030 1.00 23.01 C ATOM 977 CD1 ILE A 61 0.336 4.350 -1.502 1.00 35.13 C ATOM 0 H ILE A 61 2.160 0.752 -1.997 1.00 21.12 H new ATOM 0 HA ILE A 61 2.328 1.640 -4.811 1.00 61.52 H new ATOM 0 HB ILE A 61 1.765 3.949 -3.891 1.00 40.43 H new ATOM 0 HG12 ILE A 61 1.001 2.323 -1.436 1.00 25.21 H new ATOM 0 HG13 ILE A 61 2.294 3.502 -1.531 1.00 25.21 H new ATOM 0 HG21 ILE A 61 -0.664 3.540 -3.798 1.00 23.01 H new ATOM 0 HG22 ILE A 61 0.109 2.621 -5.112 1.00 23.01 H new ATOM 0 HG23 ILE A 61 -0.360 1.797 -3.606 1.00 23.01 H new ATOM 0 HD11 ILE A 61 0.331 4.443 -0.416 1.00 35.13 H new ATOM 0 HD12 ILE A 61 0.647 5.296 -1.946 1.00 35.13 H new ATOM 0 HD13 ILE A 61 -0.666 4.099 -1.849 1.00 35.13 H new ATOM 989 N PRO A 62 4.517 2.967 -4.423 1.00 21.00 N ATOM 990 CA PRO A 62 5.902 3.463 -4.251 1.00 62.11 C ATOM 991 C PRO A 62 6.087 4.395 -3.031 1.00 44.03 C ATOM 992 O PRO A 62 5.162 5.100 -2.623 1.00 20.20 O ATOM 993 CB PRO A 62 6.163 4.225 -5.558 1.00 62.44 C ATOM 994 CG PRO A 62 5.254 3.593 -6.556 1.00 21.22 C ATOM 995 CD PRO A 62 4.012 3.214 -5.792 1.00 73.24 C ATOM 0 HA PRO A 62 6.594 2.643 -4.060 1.00 62.11 H new ATOM 0 HB2 PRO A 62 5.949 5.288 -5.446 1.00 62.44 H new ATOM 0 HB3 PRO A 62 7.206 4.140 -5.864 1.00 62.44 H new ATOM 0 HG2 PRO A 62 5.020 4.284 -7.366 1.00 21.22 H new ATOM 0 HG3 PRO A 62 5.718 2.717 -7.009 1.00 21.22 H new ATOM 0 HD2 PRO A 62 3.270 4.012 -5.809 1.00 73.24 H new ATOM 0 HD3 PRO A 62 3.536 2.327 -6.211 1.00 73.24 H new ATOM 1003 N ALA A 63 7.302 4.401 -2.470 1.00 31.32 N ATOM 1004 CA ALA A 63 7.619 5.172 -1.255 1.00 33.02 C ATOM 1005 C ALA A 63 7.198 6.650 -1.334 1.00 22.43 C ATOM 1006 O ALA A 63 6.580 7.176 -0.406 1.00 33.12 O ATOM 1007 CB ALA A 63 9.110 5.081 -0.959 1.00 75.11 C ATOM 0 H ALA A 63 8.093 3.875 -2.841 1.00 31.32 H new ATOM 0 HA ALA A 63 7.038 4.725 -0.448 1.00 33.02 H new ATOM 0 HB1 ALA A 63 9.338 5.653 -0.060 1.00 75.11 H new ATOM 0 HB2 ALA A 63 9.388 4.038 -0.806 1.00 75.11 H new ATOM 0 HB3 ALA A 63 9.673 5.487 -1.799 1.00 75.11 H new ATOM 1013 N SER A 64 7.533 7.315 -2.437 1.00 62.34 N ATOM 1014 CA SER A 64 7.290 8.764 -2.574 1.00 63.33 C ATOM 1015 C SER A 64 5.799 9.110 -2.713 1.00 12.21 C ATOM 1016 O SER A 64 5.438 10.289 -2.758 1.00 3.14 O ATOM 1017 CB SER A 64 8.075 9.343 -3.761 1.00 41.04 C ATOM 1018 OG SER A 64 9.476 9.247 -3.547 1.00 24.21 O ATOM 0 H SER A 64 7.972 6.883 -3.250 1.00 62.34 H new ATOM 0 HA SER A 64 7.644 9.220 -1.649 1.00 63.33 H new ATOM 0 HB2 SER A 64 7.806 8.809 -4.673 1.00 41.04 H new ATOM 0 HB3 SER A 64 7.798 10.387 -3.909 1.00 41.04 H new ATOM 0 HG SER A 64 9.951 9.621 -4.318 1.00 24.21 H new ATOM 1024 N VAL A 65 4.938 8.097 -2.779 1.00 33.32 N ATOM 1025 CA VAL A 65 3.488 8.322 -2.814 1.00 41.53 C ATOM 1026 C VAL A 65 2.949 8.590 -1.395 1.00 2.21 C ATOM 1027 O VAL A 65 3.090 7.750 -0.500 1.00 35.12 O ATOM 1028 CB VAL A 65 2.735 7.117 -3.443 1.00 75.33 C ATOM 1029 CG1 VAL A 65 1.228 7.373 -3.474 1.00 33.21 C ATOM 1030 CG2 VAL A 65 3.262 6.828 -4.848 1.00 74.32 C ATOM 0 H VAL A 65 5.214 7.115 -2.809 1.00 33.32 H new ATOM 0 HA VAL A 65 3.310 9.197 -3.439 1.00 41.53 H new ATOM 0 HB VAL A 65 2.917 6.241 -2.821 1.00 75.33 H new ATOM 0 HG11 VAL A 65 0.722 6.516 -3.919 1.00 33.21 H new ATOM 0 HG12 VAL A 65 0.863 7.522 -2.458 1.00 33.21 H new ATOM 0 HG13 VAL A 65 1.022 8.264 -4.068 1.00 33.21 H new ATOM 0 HG21 VAL A 65 2.722 5.981 -5.272 1.00 74.32 H new ATOM 0 HG22 VAL A 65 3.115 7.704 -5.479 1.00 74.32 H new ATOM 0 HG23 VAL A 65 4.325 6.592 -4.797 1.00 74.32 H new ATOM 1040 N PRO A 66 2.339 9.777 -1.167 1.00 45.15 N ATOM 1041 CA PRO A 66 1.851 10.187 0.167 1.00 2.44 C ATOM 1042 C PRO A 66 0.938 9.145 0.839 1.00 30.23 C ATOM 1043 O PRO A 66 0.130 8.489 0.179 1.00 20.11 O ATOM 1044 CB PRO A 66 1.072 11.477 -0.125 1.00 15.23 C ATOM 1045 CG PRO A 66 1.710 12.019 -1.356 1.00 1.24 C ATOM 1046 CD PRO A 66 2.081 10.818 -2.184 1.00 13.14 C ATOM 0 HA PRO A 66 2.676 10.309 0.869 1.00 2.44 H new ATOM 0 HB2 PRO A 66 0.012 11.275 -0.282 1.00 15.23 H new ATOM 0 HB3 PRO A 66 1.143 12.181 0.704 1.00 15.23 H new ATOM 0 HG2 PRO A 66 1.025 12.672 -1.897 1.00 1.24 H new ATOM 0 HG3 PRO A 66 2.590 12.613 -1.112 1.00 1.24 H new ATOM 0 HD2 PRO A 66 1.276 10.530 -2.860 1.00 13.14 H new ATOM 0 HD3 PRO A 66 2.961 11.008 -2.799 1.00 13.14 H new ATOM 1054 N LEU A 67 1.070 9.012 2.160 1.00 24.54 N ATOM 1055 CA LEU A 67 0.273 8.053 2.933 1.00 73.31 C ATOM 1056 C LEU A 67 -1.195 8.515 3.044 1.00 63.13 C ATOM 1057 O LEU A 67 -1.471 9.647 3.440 1.00 15.12 O ATOM 1058 CB LEU A 67 0.895 7.879 4.329 1.00 32.10 C ATOM 1059 CG LEU A 67 0.474 6.613 5.094 1.00 64.12 C ATOM 1060 CD1 LEU A 67 0.935 5.352 4.363 1.00 25.13 C ATOM 1061 CD2 LEU A 67 1.023 6.633 6.518 1.00 30.23 C ATOM 0 H LEU A 67 1.724 9.558 2.721 1.00 24.54 H new ATOM 0 HA LEU A 67 0.277 7.093 2.416 1.00 73.31 H new ATOM 0 HB2 LEU A 67 1.980 7.874 4.225 1.00 32.10 H new ATOM 0 HB3 LEU A 67 0.636 8.749 4.933 1.00 32.10 H new ATOM 0 HG LEU A 67 -0.615 6.600 5.144 1.00 64.12 H new ATOM 0 HD11 LEU A 67 0.624 4.471 4.925 1.00 25.13 H new ATOM 0 HD12 LEU A 67 0.489 5.324 3.369 1.00 25.13 H new ATOM 0 HD13 LEU A 67 2.021 5.360 4.273 1.00 25.13 H new ATOM 0 HD21 LEU A 67 0.713 5.728 7.040 1.00 30.23 H new ATOM 0 HD22 LEU A 67 2.112 6.679 6.488 1.00 30.23 H new ATOM 0 HD23 LEU A 67 0.637 7.506 7.044 1.00 30.23 H new ATOM 1073 N LYS A 68 -2.133 7.630 2.704 1.00 11.51 N ATOM 1074 CA LYS A 68 -3.556 7.995 2.607 1.00 64.45 C ATOM 1075 C LYS A 68 -4.241 8.057 3.984 1.00 72.01 C ATOM 1076 O LYS A 68 -4.697 9.121 4.405 1.00 51.42 O ATOM 1077 CB LYS A 68 -4.299 7.011 1.681 1.00 1.24 C ATOM 1078 CG LYS A 68 -4.070 7.255 0.186 1.00 50.13 C ATOM 1079 CD LYS A 68 -2.592 7.201 -0.195 1.00 43.43 C ATOM 1080 CE LYS A 68 -2.369 7.442 -1.684 1.00 23.15 C ATOM 1081 NZ LYS A 68 -2.913 8.751 -2.145 1.00 31.23 N ATOM 0 H LYS A 68 -1.937 6.652 2.490 1.00 11.51 H new ATOM 0 HA LYS A 68 -3.603 8.997 2.181 1.00 64.45 H new ATOM 0 HB2 LYS A 68 -3.986 5.996 1.923 1.00 1.24 H new ATOM 0 HB3 LYS A 68 -5.367 7.073 1.888 1.00 1.24 H new ATOM 0 HG2 LYS A 68 -4.618 6.508 -0.389 1.00 50.13 H new ATOM 0 HG3 LYS A 68 -4.477 8.229 -0.087 1.00 50.13 H new ATOM 0 HD2 LYS A 68 -2.044 7.949 0.378 1.00 43.43 H new ATOM 0 HD3 LYS A 68 -2.184 6.228 0.078 1.00 43.43 H new ATOM 0 HE2 LYS A 68 -1.301 7.402 -1.898 1.00 23.15 H new ATOM 0 HE3 LYS A 68 -2.838 6.638 -2.252 1.00 23.15 H new ATOM 0 HZ1 LYS A 68 -2.458 9.020 -3.041 1.00 31.23 H new ATOM 0 HZ2 LYS A 68 -3.940 8.669 -2.289 1.00 31.23 H new ATOM 0 HZ3 LYS A 68 -2.721 9.479 -1.427 1.00 31.23 H new ATOM 1095 N GLU A 69 -4.312 6.916 4.670 1.00 30.30 N ATOM 1096 CA GLU A 69 -4.927 6.834 6.010 1.00 34.40 C ATOM 1097 C GLU A 69 -6.407 7.289 6.015 1.00 11.21 C ATOM 1098 O GLU A 69 -6.818 8.090 6.857 1.00 3.14 O ATOM 1099 CB GLU A 69 -4.111 7.670 7.014 1.00 42.33 C ATOM 1100 CG GLU A 69 -2.642 7.265 7.115 1.00 10.40 C ATOM 1101 CD GLU A 69 -2.449 5.831 7.588 1.00 42.33 C ATOM 1102 OE1 GLU A 69 -2.434 4.912 6.741 1.00 32.34 O ATOM 1103 OE2 GLU A 69 -2.317 5.617 8.813 1.00 72.51 O ATOM 0 H GLU A 69 -3.951 6.027 4.324 1.00 30.30 H new ATOM 0 HA GLU A 69 -4.916 5.785 6.307 1.00 34.40 H new ATOM 0 HB2 GLU A 69 -4.168 8.720 6.727 1.00 42.33 H new ATOM 0 HB3 GLU A 69 -4.569 7.583 7.999 1.00 42.33 H new ATOM 0 HG2 GLU A 69 -2.170 7.386 6.140 1.00 10.40 H new ATOM 0 HG3 GLU A 69 -2.132 7.940 7.802 1.00 10.40 H new ATOM 1110 N PHE A 70 -7.202 6.764 5.076 1.00 2.43 N ATOM 1111 CA PHE A 70 -8.649 7.060 5.024 1.00 0.14 C ATOM 1112 C PHE A 70 -9.440 6.288 6.108 1.00 44.05 C ATOM 1113 O PHE A 70 -8.862 5.750 7.055 1.00 34.14 O ATOM 1114 CB PHE A 70 -9.215 6.714 3.636 1.00 43.45 C ATOM 1115 CG PHE A 70 -8.634 7.526 2.502 1.00 41.22 C ATOM 1116 CD1 PHE A 70 -8.657 8.914 2.538 1.00 62.21 C ATOM 1117 CD2 PHE A 70 -8.065 6.901 1.397 1.00 13.24 C ATOM 1118 CE1 PHE A 70 -8.129 9.659 1.500 1.00 71.34 C ATOM 1119 CE2 PHE A 70 -7.538 7.644 0.359 1.00 75.23 C ATOM 1120 CZ PHE A 70 -7.570 9.023 0.409 1.00 23.24 C ATOM 0 H PHE A 70 -6.876 6.135 4.343 1.00 2.43 H new ATOM 0 HA PHE A 70 -8.765 8.127 5.217 1.00 0.14 H new ATOM 0 HB2 PHE A 70 -9.036 5.657 3.438 1.00 43.45 H new ATOM 0 HB3 PHE A 70 -10.295 6.857 3.652 1.00 43.45 H new ATOM 0 HD1 PHE A 70 -9.093 9.418 3.388 1.00 62.21 H new ATOM 0 HD2 PHE A 70 -8.035 5.822 1.350 1.00 13.24 H new ATOM 0 HE1 PHE A 70 -8.154 10.738 1.542 1.00 71.34 H new ATOM 0 HE2 PHE A 70 -7.100 7.145 -0.493 1.00 75.23 H new ATOM 0 HZ PHE A 70 -7.159 9.604 -0.404 1.00 23.24 H new ATOM 1130 N ASP A 71 -10.770 6.257 5.967 1.00 51.35 N ATOM 1131 CA ASP A 71 -11.648 5.537 6.910 1.00 51.05 C ATOM 1132 C ASP A 71 -11.916 4.080 6.470 1.00 41.11 C ATOM 1133 O ASP A 71 -11.802 3.739 5.292 1.00 62.44 O ATOM 1134 CB ASP A 71 -12.980 6.286 7.060 1.00 43.31 C ATOM 1135 CG ASP A 71 -12.814 7.629 7.750 1.00 73.34 C ATOM 1136 OD1 ASP A 71 -12.239 8.548 7.140 1.00 32.44 O ATOM 1137 OD2 ASP A 71 -13.252 7.769 8.911 1.00 22.31 O ATOM 0 H ASP A 71 -11.268 6.722 5.208 1.00 51.35 H new ATOM 0 HA ASP A 71 -11.130 5.499 7.868 1.00 51.05 H new ATOM 0 HB2 ASP A 71 -13.421 6.439 6.075 1.00 43.31 H new ATOM 0 HB3 ASP A 71 -13.677 5.672 7.630 1.00 43.31 H new ATOM 1142 N TYR A 72 -12.309 3.240 7.434 1.00 15.54 N ATOM 1143 CA TYR A 72 -12.567 1.806 7.198 1.00 64.33 C ATOM 1144 C TYR A 72 -13.685 1.559 6.158 1.00 22.51 C ATOM 1145 O TYR A 72 -13.770 0.483 5.551 1.00 12.43 O ATOM 1146 CB TYR A 72 -12.923 1.127 8.531 1.00 74.22 C ATOM 1147 CG TYR A 72 -13.277 -0.344 8.404 1.00 41.24 C ATOM 1148 CD1 TYR A 72 -12.292 -1.306 8.196 1.00 34.42 C ATOM 1149 CD2 TYR A 72 -14.599 -0.771 8.486 1.00 71.23 C ATOM 1150 CE1 TYR A 72 -12.616 -2.644 8.072 1.00 64.01 C ATOM 1151 CE2 TYR A 72 -14.929 -2.105 8.365 1.00 54.34 C ATOM 1152 CZ TYR A 72 -13.936 -3.038 8.157 1.00 62.24 C ATOM 1153 OH TYR A 72 -14.265 -4.370 8.026 1.00 53.14 O ATOM 0 H TYR A 72 -12.458 3.530 8.400 1.00 15.54 H new ATOM 0 HA TYR A 72 -11.656 1.373 6.784 1.00 64.33 H new ATOM 0 HB2 TYR A 72 -12.080 1.229 9.214 1.00 74.22 H new ATOM 0 HB3 TYR A 72 -13.764 1.654 8.981 1.00 74.22 H new ATOM 0 HD1 TYR A 72 -11.258 -1.002 8.130 1.00 34.42 H new ATOM 0 HD2 TYR A 72 -15.381 -0.044 8.647 1.00 71.23 H new ATOM 0 HE1 TYR A 72 -11.840 -3.377 7.909 1.00 64.01 H new ATOM 0 HE2 TYR A 72 -15.961 -2.417 8.433 1.00 54.34 H new ATOM 0 HH TYR A 72 -15.235 -4.477 8.112 1.00 53.14 H new ATOM 1163 N ASN A 73 -14.549 2.546 5.959 1.00 44.32 N ATOM 1164 CA ASN A 73 -15.656 2.427 5.000 1.00 62.50 C ATOM 1165 C ASN A 73 -15.491 3.410 3.833 1.00 12.23 C ATOM 1166 O ASN A 73 -16.454 3.728 3.133 1.00 4.51 O ATOM 1167 CB ASN A 73 -16.990 2.664 5.718 1.00 34.13 C ATOM 1168 CG ASN A 73 -17.239 1.635 6.808 1.00 33.20 C ATOM 1169 OD1 ASN A 73 -16.802 1.794 7.941 1.00 53.43 O ATOM 1170 ND2 ASN A 73 -17.947 0.573 6.477 1.00 50.40 N ATOM 0 H ASN A 73 -14.510 3.441 6.446 1.00 44.32 H new ATOM 0 HA ASN A 73 -15.646 1.419 4.585 1.00 62.50 H new ATOM 0 HB2 ASN A 73 -16.995 3.663 6.154 1.00 34.13 H new ATOM 0 HB3 ASN A 73 -17.803 2.629 4.993 1.00 34.13 H new ATOM 0 HD21 ASN A 73 -18.145 -0.145 7.174 1.00 50.40 H new ATOM 0 HD22 ASN A 73 -18.297 0.470 5.524 1.00 50.40 H new ATOM 1177 N ALA A 74 -14.262 3.873 3.614 1.00 45.51 N ATOM 1178 CA ALA A 74 -13.970 4.824 2.536 1.00 41.52 C ATOM 1179 C ALA A 74 -13.858 4.123 1.174 1.00 14.25 C ATOM 1180 O ALA A 74 -12.988 3.269 0.970 1.00 53.24 O ATOM 1181 CB ALA A 74 -12.692 5.596 2.845 1.00 11.15 C ATOM 0 H ALA A 74 -13.449 3.606 4.169 1.00 45.51 H new ATOM 0 HA ALA A 74 -14.803 5.524 2.477 1.00 41.52 H new ATOM 0 HB1 ALA A 74 -12.487 6.298 2.037 1.00 11.15 H new ATOM 0 HB2 ALA A 74 -12.815 6.144 3.779 1.00 11.15 H new ATOM 0 HB3 ALA A 74 -11.860 4.899 2.940 1.00 11.15 H new ATOM 1187 N ARG A 75 -14.750 4.481 0.251 1.00 32.55 N ATOM 1188 CA ARG A 75 -14.732 3.934 -1.111 1.00 63.11 C ATOM 1189 C ARG A 75 -13.573 4.529 -1.929 1.00 12.13 C ATOM 1190 O ARG A 75 -13.580 5.719 -2.259 1.00 21.42 O ATOM 1191 CB ARG A 75 -16.074 4.222 -1.799 1.00 51.42 C ATOM 1192 CG ARG A 75 -17.275 3.601 -1.083 1.00 62.14 C ATOM 1193 CD ARG A 75 -18.598 4.216 -1.532 1.00 41.24 C ATOM 1194 NE ARG A 75 -18.870 4.000 -2.951 1.00 73.45 N ATOM 1195 CZ ARG A 75 -19.352 4.912 -3.752 1.00 25.23 C ATOM 1196 NH1 ARG A 75 -19.581 6.113 -3.330 1.00 20.03 N ATOM 1197 NH2 ARG A 75 -19.611 4.630 -4.981 1.00 40.34 N ATOM 0 H ARG A 75 -15.500 5.151 0.421 1.00 32.55 H new ATOM 0 HA ARG A 75 -14.581 2.856 -1.052 1.00 63.11 H new ATOM 0 HB2 ARG A 75 -16.217 5.301 -1.861 1.00 51.42 H new ATOM 0 HB3 ARG A 75 -16.037 3.846 -2.821 1.00 51.42 H new ATOM 0 HG2 ARG A 75 -17.293 2.528 -1.272 1.00 62.14 H new ATOM 0 HG3 ARG A 75 -17.162 3.733 -0.007 1.00 62.14 H new ATOM 0 HD2 ARG A 75 -19.410 3.790 -0.942 1.00 41.24 H new ATOM 0 HD3 ARG A 75 -18.583 5.287 -1.328 1.00 41.24 H new ATOM 0 HE ARG A 75 -18.671 3.079 -3.341 1.00 73.45 H new ATOM 0 HH11 ARG A 75 -19.385 6.359 -2.360 1.00 20.03 H new ATOM 0 HH12 ARG A 75 -19.958 6.814 -3.968 1.00 20.03 H new ATOM 0 HH21 ARG A 75 -19.440 3.689 -5.335 1.00 40.34 H new ATOM 0 HH22 ARG A 75 -19.987 5.348 -5.601 1.00 40.34 H new ATOM 1211 N VAL A 76 -12.579 3.699 -2.249 1.00 34.10 N ATOM 1212 CA VAL A 76 -11.373 4.145 -2.961 1.00 11.05 C ATOM 1213 C VAL A 76 -11.217 3.465 -4.335 1.00 22.23 C ATOM 1214 O VAL A 76 -11.801 2.413 -4.598 1.00 21.23 O ATOM 1215 CB VAL A 76 -10.099 3.858 -2.118 1.00 22.31 C ATOM 1216 CG1 VAL A 76 -10.138 4.616 -0.790 1.00 24.11 C ATOM 1217 CG2 VAL A 76 -9.932 2.357 -1.877 1.00 1.52 C ATOM 0 H VAL A 76 -12.583 2.704 -2.025 1.00 34.10 H new ATOM 0 HA VAL A 76 -11.489 5.218 -3.117 1.00 11.05 H new ATOM 0 HB VAL A 76 -9.237 4.211 -2.684 1.00 22.31 H new ATOM 0 HG11 VAL A 76 -9.235 4.398 -0.220 1.00 24.11 H new ATOM 0 HG12 VAL A 76 -10.194 5.687 -0.984 1.00 24.11 H new ATOM 0 HG13 VAL A 76 -11.012 4.304 -0.219 1.00 24.11 H new ATOM 0 HG21 VAL A 76 -9.034 2.181 -1.285 1.00 1.52 H new ATOM 0 HG22 VAL A 76 -10.801 1.976 -1.340 1.00 1.52 H new ATOM 0 HG23 VAL A 76 -9.842 1.843 -2.834 1.00 1.52 H new ATOM 1227 N GLU A 77 -10.432 4.088 -5.215 1.00 45.23 N ATOM 1228 CA GLU A 77 -10.077 3.490 -6.508 1.00 43.32 C ATOM 1229 C GLU A 77 -8.578 3.675 -6.808 1.00 11.33 C ATOM 1230 O GLU A 77 -7.948 4.627 -6.336 1.00 0.23 O ATOM 1231 CB GLU A 77 -10.936 4.068 -7.651 1.00 34.55 C ATOM 1232 CG GLU A 77 -10.811 5.578 -7.852 1.00 42.12 C ATOM 1233 CD GLU A 77 -11.569 6.068 -9.083 1.00 43.34 C ATOM 1234 OE1 GLU A 77 -11.027 5.951 -10.204 1.00 31.10 O ATOM 1235 OE2 GLU A 77 -12.715 6.557 -8.940 1.00 22.23 O ATOM 0 H GLU A 77 -10.027 5.011 -5.057 1.00 45.23 H new ATOM 0 HA GLU A 77 -10.284 2.422 -6.443 1.00 43.32 H new ATOM 0 HB2 GLU A 77 -10.661 3.569 -8.580 1.00 34.55 H new ATOM 0 HB3 GLU A 77 -11.981 3.828 -7.457 1.00 34.55 H new ATOM 0 HG2 GLU A 77 -11.189 6.092 -6.968 1.00 42.12 H new ATOM 0 HG3 GLU A 77 -9.758 5.843 -7.948 1.00 42.12 H new ATOM 1242 N LEU A 78 -8.011 2.761 -7.591 1.00 61.21 N ATOM 1243 CA LEU A 78 -6.564 2.744 -7.842 1.00 11.10 C ATOM 1244 C LEU A 78 -6.195 3.357 -9.199 1.00 52.04 C ATOM 1245 O LEU A 78 -6.857 3.120 -10.209 1.00 10.12 O ATOM 1246 CB LEU A 78 -6.039 1.305 -7.771 1.00 1.02 C ATOM 1247 CG LEU A 78 -6.183 0.626 -6.403 1.00 54.14 C ATOM 1248 CD1 LEU A 78 -5.645 -0.803 -6.450 1.00 13.10 C ATOM 1249 CD2 LEU A 78 -5.471 1.448 -5.329 1.00 51.00 C ATOM 0 H LEU A 78 -8.528 2.020 -8.065 1.00 61.21 H new ATOM 0 HA LEU A 78 -6.098 3.355 -7.069 1.00 11.10 H new ATOM 0 HB2 LEU A 78 -6.565 0.706 -8.514 1.00 1.02 H new ATOM 0 HB3 LEU A 78 -4.985 1.305 -8.050 1.00 1.02 H new ATOM 0 HG LEU A 78 -7.241 0.574 -6.148 1.00 54.14 H new ATOM 0 HD11 LEU A 78 -5.757 -1.266 -5.470 1.00 13.10 H new ATOM 0 HD12 LEU A 78 -6.203 -1.378 -7.189 1.00 13.10 H new ATOM 0 HD13 LEU A 78 -4.590 -0.786 -6.725 1.00 13.10 H new ATOM 0 HD21 LEU A 78 -5.580 0.956 -4.362 1.00 51.00 H new ATOM 0 HD22 LEU A 78 -4.413 1.531 -5.576 1.00 51.00 H new ATOM 0 HD23 LEU A 78 -5.912 2.444 -5.281 1.00 51.00 H new ATOM 1261 N ILE A 79 -5.120 4.142 -9.209 1.00 2.14 N ATOM 1262 CA ILE A 79 -4.588 4.733 -10.441 1.00 44.12 C ATOM 1263 C ILE A 79 -3.620 3.758 -11.139 1.00 75.14 C ATOM 1264 O ILE A 79 -2.537 3.481 -10.629 1.00 24.22 O ATOM 1265 CB ILE A 79 -3.858 6.067 -10.134 1.00 31.15 C ATOM 1266 CG1 ILE A 79 -4.802 7.046 -9.412 1.00 24.10 C ATOM 1267 CG2 ILE A 79 -3.296 6.697 -11.409 1.00 15.10 C ATOM 1268 CD1 ILE A 79 -6.045 7.405 -10.201 1.00 2.55 C ATOM 0 H ILE A 79 -4.594 4.387 -8.370 1.00 2.14 H new ATOM 0 HA ILE A 79 -5.427 4.933 -11.108 1.00 44.12 H new ATOM 0 HB ILE A 79 -3.019 5.847 -9.474 1.00 31.15 H new ATOM 0 HG12 ILE A 79 -5.103 6.608 -8.460 1.00 24.10 H new ATOM 0 HG13 ILE A 79 -4.254 7.960 -9.183 1.00 24.10 H new ATOM 0 HG21 ILE A 79 -2.790 7.630 -11.161 1.00 15.10 H new ATOM 0 HG22 ILE A 79 -2.586 6.011 -11.871 1.00 15.10 H new ATOM 0 HG23 ILE A 79 -4.111 6.899 -12.105 1.00 15.10 H new ATOM 0 HD11 ILE A 79 -6.656 8.098 -9.622 1.00 2.55 H new ATOM 0 HD12 ILE A 79 -5.756 7.874 -11.141 1.00 2.55 H new ATOM 0 HD13 ILE A 79 -6.618 6.501 -10.407 1.00 2.55 H new ATOM 1280 N ASN A 80 -4.029 3.242 -12.304 1.00 22.30 N ATOM 1281 CA ASN A 80 -3.247 2.245 -13.067 1.00 51.31 C ATOM 1282 C ASN A 80 -2.720 1.086 -12.184 1.00 54.01 C ATOM 1283 O ASN A 80 -1.520 0.988 -11.918 1.00 50.05 O ATOM 1284 CB ASN A 80 -2.081 2.916 -13.815 1.00 30.30 C ATOM 1285 CG ASN A 80 -2.561 3.915 -14.853 1.00 35.22 C ATOM 1286 OD1 ASN A 80 -2.683 5.160 -14.459 1.00 50.23 O flip ATOM 1287 ND2 ASN A 80 -2.804 3.573 -16.007 1.00 31.21 N flip ATOM 0 H ASN A 80 -4.910 3.499 -12.749 1.00 22.30 H new ATOM 0 HA ASN A 80 -3.934 1.808 -13.791 1.00 51.31 H new ATOM 0 HB2 ASN A 80 -1.436 3.423 -13.097 1.00 30.30 H new ATOM 0 HB3 ASN A 80 -1.477 2.151 -14.302 1.00 30.30 H new ATOM 0 HD21 ASN A 80 -2.699 2.596 -16.282 1.00 31.21 H new ATOM 0 HD22 ASN A 80 -3.110 4.265 -16.690 1.00 31.21 H new ATOM 1294 N PRO A 81 -3.618 0.201 -11.705 1.00 30.12 N ATOM 1295 CA PRO A 81 -3.237 -0.969 -10.891 1.00 1.33 C ATOM 1296 C PRO A 81 -2.737 -2.171 -11.727 1.00 43.52 C ATOM 1297 O PRO A 81 -3.121 -2.346 -12.886 1.00 51.33 O ATOM 1298 CB PRO A 81 -4.549 -1.312 -10.178 1.00 63.44 C ATOM 1299 CG PRO A 81 -5.613 -0.920 -11.149 1.00 32.15 C ATOM 1300 CD PRO A 81 -5.083 0.280 -11.900 1.00 13.34 C ATOM 0 HA PRO A 81 -2.400 -0.749 -10.228 1.00 1.33 H new ATOM 0 HB2 PRO A 81 -4.604 -2.373 -9.936 1.00 63.44 H new ATOM 0 HB3 PRO A 81 -4.646 -0.765 -9.240 1.00 63.44 H new ATOM 0 HG2 PRO A 81 -5.836 -1.739 -11.833 1.00 32.15 H new ATOM 0 HG3 PRO A 81 -6.541 -0.676 -10.631 1.00 32.15 H new ATOM 0 HD2 PRO A 81 -5.348 0.240 -12.956 1.00 13.34 H new ATOM 0 HD3 PRO A 81 -5.489 1.211 -11.504 1.00 13.34 H new ATOM 1308 N ILE A 82 -1.869 -2.991 -11.123 1.00 42.02 N ATOM 1309 CA ILE A 82 -1.380 -4.232 -11.745 1.00 73.42 C ATOM 1310 C ILE A 82 -1.259 -5.363 -10.704 1.00 31.12 C ATOM 1311 O ILE A 82 -0.839 -5.136 -9.567 1.00 72.11 O ATOM 1312 CB ILE A 82 0.005 -4.035 -12.431 1.00 62.32 C ATOM 1313 CG1 ILE A 82 1.029 -3.457 -11.435 1.00 63.22 C ATOM 1314 CG2 ILE A 82 -0.117 -3.145 -13.670 1.00 11.55 C ATOM 1315 CD1 ILE A 82 2.411 -3.254 -12.021 1.00 4.40 C ATOM 0 H ILE A 82 -1.486 -2.816 -10.194 1.00 42.02 H new ATOM 0 HA ILE A 82 -2.113 -4.505 -12.504 1.00 73.42 H new ATOM 0 HB ILE A 82 0.363 -5.012 -12.757 1.00 62.32 H new ATOM 0 HG12 ILE A 82 0.659 -2.501 -11.063 1.00 63.22 H new ATOM 0 HG13 ILE A 82 1.104 -4.126 -10.577 1.00 63.22 H new ATOM 0 HG21 ILE A 82 0.864 -3.024 -14.129 1.00 11.55 H new ATOM 0 HG22 ILE A 82 -0.798 -3.608 -14.385 1.00 11.55 H new ATOM 0 HG23 ILE A 82 -0.505 -2.168 -13.380 1.00 11.55 H new ATOM 0 HD11 ILE A 82 3.073 -2.845 -11.258 1.00 4.40 H new ATOM 0 HD12 ILE A 82 2.803 -4.210 -12.367 1.00 4.40 H new ATOM 0 HD13 ILE A 82 2.352 -2.561 -12.860 1.00 4.40 H new ATOM 1327 N ALA A 83 -1.636 -6.578 -11.096 1.00 42.11 N ATOM 1328 CA ALA A 83 -1.518 -7.745 -10.214 1.00 3.24 C ATOM 1329 C ALA A 83 -0.143 -8.421 -10.373 1.00 55.53 C ATOM 1330 O ALA A 83 0.092 -9.151 -11.341 1.00 42.35 O ATOM 1331 CB ALA A 83 -2.644 -8.734 -10.497 1.00 73.24 C ATOM 0 H ALA A 83 -2.025 -6.784 -12.016 1.00 42.11 H new ATOM 0 HA ALA A 83 -1.604 -7.406 -9.182 1.00 3.24 H new ATOM 0 HB1 ALA A 83 -2.546 -9.596 -9.837 1.00 73.24 H new ATOM 0 HB2 ALA A 83 -3.605 -8.251 -10.323 1.00 73.24 H new ATOM 0 HB3 ALA A 83 -2.587 -9.064 -11.534 1.00 73.24 H new ATOM 1337 N ASP A 84 0.752 -8.183 -9.415 1.00 64.52 N ATOM 1338 CA ASP A 84 2.142 -8.658 -9.499 1.00 73.33 C ATOM 1339 C ASP A 84 2.244 -10.175 -9.199 1.00 61.43 C ATOM 1340 O ASP A 84 1.303 -10.786 -8.688 1.00 63.43 O ATOM 1341 CB ASP A 84 3.017 -7.848 -8.527 1.00 13.01 C ATOM 1342 CG ASP A 84 4.467 -7.748 -8.976 1.00 62.12 C ATOM 1343 OD1 ASP A 84 5.142 -8.792 -9.063 1.00 24.22 O ATOM 1344 OD2 ASP A 84 4.939 -6.618 -9.237 1.00 75.34 O ATOM 0 H ASP A 84 0.542 -7.661 -8.564 1.00 64.52 H new ATOM 0 HA ASP A 84 2.500 -8.509 -10.518 1.00 73.33 H new ATOM 0 HB2 ASP A 84 2.604 -6.845 -8.425 1.00 13.01 H new ATOM 0 HB3 ASP A 84 2.979 -8.310 -7.541 1.00 13.01 H new ATOM 1522 N TRP A 98 -1.396 -12.121 -1.921 1.00 72.10 N ATOM 1523 CA TRP A 98 -0.885 -11.457 -3.135 1.00 54.32 C ATOM 1524 C TRP A 98 -1.038 -9.924 -3.116 1.00 3.43 C ATOM 1525 O TRP A 98 -1.870 -9.354 -2.396 1.00 74.35 O ATOM 1526 CB TRP A 98 -1.578 -12.039 -4.381 1.00 10.00 C ATOM 1527 CG TRP A 98 -3.053 -11.748 -4.468 1.00 51.34 C ATOM 1528 CD1 TRP A 98 -4.001 -11.994 -3.515 1.00 12.34 C ATOM 1529 CD2 TRP A 98 -3.748 -11.177 -5.582 1.00 52.21 C ATOM 1530 NE1 TRP A 98 -5.236 -11.598 -3.962 1.00 23.24 N ATOM 1531 CE2 TRP A 98 -5.110 -11.096 -5.229 1.00 63.32 C ATOM 1532 CE3 TRP A 98 -3.351 -10.722 -6.841 1.00 21.03 C ATOM 1533 CZ2 TRP A 98 -6.073 -10.582 -6.092 1.00 72.34 C ATOM 1534 CZ3 TRP A 98 -4.311 -10.212 -7.699 1.00 62.10 C ATOM 1535 CH2 TRP A 98 -5.658 -10.144 -7.319 1.00 34.11 C ATOM 0 HA TRP A 98 0.186 -11.657 -3.166 1.00 54.32 H new ATOM 0 HB2 TRP A 98 -1.089 -11.643 -5.271 1.00 10.00 H new ATOM 0 HB3 TRP A 98 -1.432 -13.119 -4.391 1.00 10.00 H new ATOM 0 HD1 TRP A 98 -3.806 -12.436 -2.549 1.00 12.34 H new ATOM 0 HE1 TRP A 98 -6.107 -11.667 -3.436 1.00 23.24 H new ATOM 0 HE3 TRP A 98 -2.314 -10.767 -7.140 1.00 21.03 H new ATOM 0 HZ2 TRP A 98 -7.112 -10.531 -5.803 1.00 72.34 H new ATOM 0 HZ3 TRP A 98 -4.017 -9.861 -8.677 1.00 62.10 H new ATOM 0 HH2 TRP A 98 -6.383 -9.738 -8.009 1.00 34.11 H new ATOM 1546 N TYR A 99 -0.227 -9.269 -3.959 1.00 75.02 N ATOM 1547 CA TYR A 99 -0.136 -7.804 -4.004 1.00 74.31 C ATOM 1548 C TYR A 99 -0.615 -7.217 -5.346 1.00 52.02 C ATOM 1549 O TYR A 99 -0.176 -7.640 -6.419 1.00 30.24 O ATOM 1550 CB TYR A 99 1.316 -7.359 -3.763 1.00 24.53 C ATOM 1551 CG TYR A 99 1.837 -7.642 -2.366 1.00 13.05 C ATOM 1552 CD1 TYR A 99 2.140 -8.937 -1.958 1.00 20.13 C ATOM 1553 CD2 TYR A 99 2.038 -6.608 -1.458 1.00 13.41 C ATOM 1554 CE1 TYR A 99 2.618 -9.193 -0.686 1.00 12.00 C ATOM 1555 CE2 TYR A 99 2.516 -6.855 -0.186 1.00 63.32 C ATOM 1556 CZ TYR A 99 2.808 -8.146 0.195 1.00 33.43 C ATOM 1557 OH TYR A 99 3.282 -8.392 1.464 1.00 71.34 O ATOM 0 H TYR A 99 0.383 -9.740 -4.627 1.00 75.02 H new ATOM 0 HA TYR A 99 -0.792 -7.428 -3.219 1.00 74.31 H new ATOM 0 HB2 TYR A 99 1.961 -7.859 -4.486 1.00 24.53 H new ATOM 0 HB3 TYR A 99 1.391 -6.289 -3.955 1.00 24.53 H new ATOM 0 HD1 TYR A 99 1.999 -9.757 -2.647 1.00 20.13 H new ATOM 0 HD2 TYR A 99 1.816 -5.593 -1.753 1.00 13.41 H new ATOM 0 HE1 TYR A 99 2.841 -10.205 -0.383 1.00 12.00 H new ATOM 0 HE2 TYR A 99 2.660 -6.039 0.507 1.00 63.32 H new ATOM 0 HH TYR A 99 3.359 -7.547 1.954 1.00 71.34 H new ATOM 1567 N ILE A 100 -1.510 -6.235 -5.267 1.00 13.53 N ATOM 1568 CA ILE A 100 -1.893 -5.425 -6.426 1.00 54.15 C ATOM 1569 C ILE A 100 -1.225 -4.040 -6.336 1.00 1.32 C ATOM 1570 O ILE A 100 -1.588 -3.213 -5.501 1.00 64.02 O ATOM 1571 CB ILE A 100 -3.433 -5.259 -6.533 1.00 64.34 C ATOM 1572 CG1 ILE A 100 -4.113 -6.637 -6.633 1.00 32.22 C ATOM 1573 CG2 ILE A 100 -3.802 -4.389 -7.740 1.00 53.32 C ATOM 1574 CD1 ILE A 100 -5.621 -6.572 -6.774 1.00 75.53 C ATOM 0 H ILE A 100 -1.989 -5.978 -4.404 1.00 13.53 H new ATOM 0 HA ILE A 100 -1.553 -5.945 -7.322 1.00 54.15 H new ATOM 0 HB ILE A 100 -3.789 -4.760 -5.632 1.00 64.34 H new ATOM 0 HG12 ILE A 100 -3.701 -7.173 -7.488 1.00 32.22 H new ATOM 0 HG13 ILE A 100 -3.866 -7.218 -5.744 1.00 32.22 H new ATOM 0 HG21 ILE A 100 -4.886 -4.286 -7.796 1.00 53.32 H new ATOM 0 HG22 ILE A 100 -3.349 -3.404 -7.631 1.00 53.32 H new ATOM 0 HG23 ILE A 100 -3.434 -4.858 -8.653 1.00 53.32 H new ATOM 0 HD11 ILE A 100 -6.024 -7.583 -6.838 1.00 75.53 H new ATOM 0 HD12 ILE A 100 -6.046 -6.066 -5.907 1.00 75.53 H new ATOM 0 HD13 ILE A 100 -5.878 -6.020 -7.678 1.00 75.53 H new ATOM 1586 N LYS A 101 -0.237 -3.804 -7.186 1.00 50.55 N ATOM 1587 CA LYS A 101 0.563 -2.573 -7.131 1.00 52.14 C ATOM 1588 C LYS A 101 -0.001 -1.494 -8.067 1.00 71.45 C ATOM 1589 O LYS A 101 -0.405 -1.786 -9.189 1.00 41.41 O ATOM 1590 CB LYS A 101 2.016 -2.910 -7.485 1.00 41.00 C ATOM 1591 CG LYS A 101 2.689 -3.801 -6.438 1.00 10.31 C ATOM 1592 CD LYS A 101 3.904 -4.541 -6.987 1.00 52.24 C ATOM 1593 CE LYS A 101 4.970 -3.601 -7.530 1.00 73.01 C ATOM 1594 NZ LYS A 101 6.156 -4.353 -8.011 1.00 65.23 N ATOM 0 H LYS A 101 0.037 -4.448 -7.928 1.00 50.55 H new ATOM 0 HA LYS A 101 0.522 -2.165 -6.121 1.00 52.14 H new ATOM 0 HB2 LYS A 101 2.043 -3.410 -8.453 1.00 41.00 H new ATOM 0 HB3 LYS A 101 2.584 -1.985 -7.588 1.00 41.00 H new ATOM 0 HG2 LYS A 101 2.994 -3.189 -5.589 1.00 10.31 H new ATOM 0 HG3 LYS A 101 1.966 -4.526 -6.065 1.00 10.31 H new ATOM 0 HD2 LYS A 101 4.336 -5.156 -6.198 1.00 52.24 H new ATOM 0 HD3 LYS A 101 3.584 -5.217 -7.780 1.00 52.24 H new ATOM 0 HE2 LYS A 101 4.555 -3.010 -8.347 1.00 73.01 H new ATOM 0 HE3 LYS A 101 5.272 -2.901 -6.751 1.00 73.01 H new ATOM 0 HZ1 LYS A 101 6.693 -3.764 -8.679 1.00 65.23 H new ATOM 0 HZ2 LYS A 101 6.762 -4.600 -7.202 1.00 65.23 H new ATOM 0 HZ3 LYS A 101 5.845 -5.222 -8.490 1.00 65.23 H new ATOM 1608 N ALA A 102 -0.027 -0.249 -7.601 1.00 42.45 N ATOM 1609 CA ALA A 102 -0.639 0.845 -8.367 1.00 44.12 C ATOM 1610 C ALA A 102 0.215 2.121 -8.356 1.00 62.44 C ATOM 1611 O ALA A 102 1.210 2.219 -7.634 1.00 2.24 O ATOM 1612 CB ALA A 102 -2.032 1.144 -7.823 1.00 52.53 C ATOM 0 H ALA A 102 0.365 0.032 -6.702 1.00 42.45 H new ATOM 0 HA ALA A 102 -0.708 0.514 -9.403 1.00 44.12 H new ATOM 0 HB1 ALA A 102 -2.480 1.956 -8.396 1.00 52.53 H new ATOM 0 HB2 ALA A 102 -2.655 0.254 -7.908 1.00 52.53 H new ATOM 0 HB3 ALA A 102 -1.959 1.436 -6.775 1.00 52.53 H new ATOM 1618 N ASP A 103 -0.192 3.094 -9.164 1.00 2.14 N ATOM 1619 CA ASP A 103 0.485 4.391 -9.236 1.00 44.31 C ATOM 1620 C ASP A 103 0.127 5.276 -8.026 1.00 25.32 C ATOM 1621 O ASP A 103 0.993 5.945 -7.451 1.00 64.33 O ATOM 1622 CB ASP A 103 0.098 5.106 -10.536 1.00 14.14 C ATOM 1623 CG ASP A 103 0.895 6.374 -10.758 1.00 52.44 C ATOM 1624 OD1 ASP A 103 2.142 6.311 -10.702 1.00 53.45 O ATOM 1625 OD2 ASP A 103 0.282 7.444 -10.963 1.00 21.53 O ATOM 0 H ASP A 103 -0.996 3.010 -9.786 1.00 2.14 H new ATOM 0 HA ASP A 103 1.561 4.215 -9.221 1.00 44.31 H new ATOM 0 HB2 ASP A 103 0.252 4.431 -11.378 1.00 14.14 H new ATOM 0 HB3 ASP A 103 -0.965 5.348 -10.512 1.00 14.14 H new ATOM 1630 N ASP A 104 -1.157 5.278 -7.657 1.00 20.44 N ATOM 1631 CA ASP A 104 -1.656 6.086 -6.535 1.00 53.33 C ATOM 1632 C ASP A 104 -3.051 5.606 -6.083 1.00 50.03 C ATOM 1633 O ASP A 104 -3.767 4.946 -6.836 1.00 14.42 O ATOM 1634 CB ASP A 104 -1.689 7.573 -6.940 1.00 43.42 C ATOM 1635 CG ASP A 104 -2.174 8.496 -5.831 1.00 0.24 C ATOM 1636 OD1 ASP A 104 -1.881 8.225 -4.649 1.00 74.31 O ATOM 1637 OD2 ASP A 104 -2.840 9.506 -6.139 1.00 41.03 O ATOM 0 H ASP A 104 -1.877 4.725 -8.122 1.00 20.44 H new ATOM 0 HA ASP A 104 -0.980 5.966 -5.689 1.00 53.33 H new ATOM 0 HB2 ASP A 104 -0.689 7.880 -7.245 1.00 43.42 H new ATOM 0 HB3 ASP A 104 -2.337 7.690 -7.808 1.00 43.42 H new ATOM 1642 N ILE A 105 -3.421 5.933 -4.844 1.00 45.23 N ATOM 1643 CA ILE A 105 -4.715 5.529 -4.276 1.00 15.33 C ATOM 1644 C ILE A 105 -5.583 6.757 -3.959 1.00 41.45 C ATOM 1645 O ILE A 105 -5.227 7.571 -3.102 1.00 43.24 O ATOM 1646 CB ILE A 105 -4.531 4.708 -2.972 1.00 21.53 C ATOM 1647 CG1 ILE A 105 -3.563 3.531 -3.201 1.00 23.11 C ATOM 1648 CG2 ILE A 105 -5.886 4.208 -2.457 1.00 65.50 C ATOM 1649 CD1 ILE A 105 -3.328 2.681 -1.967 1.00 41.52 C ATOM 0 H ILE A 105 -2.841 6.480 -4.208 1.00 45.23 H new ATOM 0 HA ILE A 105 -5.208 4.910 -5.026 1.00 15.33 H new ATOM 0 HB ILE A 105 -4.097 5.359 -2.214 1.00 21.53 H new ATOM 0 HG12 ILE A 105 -3.957 2.898 -3.996 1.00 23.11 H new ATOM 0 HG13 ILE A 105 -2.607 3.922 -3.549 1.00 23.11 H new ATOM 0 HG21 ILE A 105 -5.738 3.634 -1.542 1.00 65.50 H new ATOM 0 HG22 ILE A 105 -6.534 5.060 -2.250 1.00 65.50 H new ATOM 0 HG23 ILE A 105 -6.351 3.574 -3.212 1.00 65.50 H new ATOM 0 HD11 ILE A 105 -2.636 1.874 -2.208 1.00 41.52 H new ATOM 0 HD12 ILE A 105 -2.904 3.298 -1.175 1.00 41.52 H new ATOM 0 HD13 ILE A 105 -4.275 2.259 -1.630 1.00 41.52 H new ATOM 1661 N VAL A 106 -6.716 6.883 -4.645 1.00 51.43 N ATOM 1662 CA VAL A 106 -7.638 8.012 -4.433 1.00 33.13 C ATOM 1663 C VAL A 106 -9.045 7.521 -4.054 1.00 32.31 C ATOM 1664 O VAL A 106 -9.292 6.320 -3.971 1.00 14.44 O ATOM 1665 CB VAL A 106 -7.730 8.909 -5.697 1.00 42.54 C ATOM 1666 CG1 VAL A 106 -6.375 9.536 -6.018 1.00 62.02 C ATOM 1667 CG2 VAL A 106 -8.261 8.117 -6.892 1.00 45.42 C ATOM 0 H VAL A 106 -7.024 6.219 -5.355 1.00 51.43 H new ATOM 0 HA VAL A 106 -7.235 8.600 -3.609 1.00 33.13 H new ATOM 0 HB VAL A 106 -8.434 9.714 -5.488 1.00 42.54 H new ATOM 0 HG11 VAL A 106 -6.464 10.160 -6.907 1.00 62.02 H new ATOM 0 HG12 VAL A 106 -6.049 10.148 -5.177 1.00 62.02 H new ATOM 0 HG13 VAL A 106 -5.643 8.749 -6.199 1.00 62.02 H new ATOM 0 HG21 VAL A 106 -8.316 8.768 -7.765 1.00 45.42 H new ATOM 0 HG22 VAL A 106 -7.591 7.283 -7.103 1.00 45.42 H new ATOM 0 HG23 VAL A 106 -9.255 7.734 -6.662 1.00 45.42 H new ATOM 1677 N LEU A 107 -9.965 8.456 -3.818 1.00 23.33 N ATOM 1678 CA LEU A 107 -11.358 8.110 -3.497 1.00 63.20 C ATOM 1679 C LEU A 107 -12.185 7.920 -4.779 1.00 74.23 C ATOM 1680 O LEU A 107 -12.004 8.645 -5.756 1.00 31.51 O ATOM 1681 CB LEU A 107 -11.996 9.201 -2.622 1.00 23.01 C ATOM 1682 CG LEU A 107 -11.337 9.413 -1.248 1.00 74.22 C ATOM 1683 CD1 LEU A 107 -11.995 10.574 -0.504 1.00 0.43 C ATOM 1684 CD2 LEU A 107 -11.400 8.132 -0.414 1.00 2.10 C ATOM 0 H LEU A 107 -9.776 9.458 -3.842 1.00 23.33 H new ATOM 0 HA LEU A 107 -11.351 7.170 -2.945 1.00 63.20 H new ATOM 0 HB2 LEU A 107 -11.969 10.144 -3.169 1.00 23.01 H new ATOM 0 HB3 LEU A 107 -13.046 8.952 -2.468 1.00 23.01 H new ATOM 0 HG LEU A 107 -10.289 9.664 -1.410 1.00 74.22 H new ATOM 0 HD11 LEU A 107 -11.513 10.705 0.465 1.00 0.43 H new ATOM 0 HD12 LEU A 107 -11.889 11.488 -1.089 1.00 0.43 H new ATOM 0 HD13 LEU A 107 -13.053 10.358 -0.356 1.00 0.43 H new ATOM 0 HD21 LEU A 107 -10.928 8.304 0.554 1.00 2.10 H new ATOM 0 HD22 LEU A 107 -12.441 7.846 -0.264 1.00 2.10 H new ATOM 0 HD23 LEU A 107 -10.875 7.332 -0.936 1.00 2.10 H new ATOM 1696 N THR A 108 -13.093 6.947 -4.769 1.00 11.11 N ATOM 1697 CA THR A 108 -13.933 6.674 -5.940 1.00 74.41 C ATOM 1698 C THR A 108 -14.921 7.822 -6.187 1.00 53.22 C ATOM 1699 O THR A 108 -15.766 8.123 -5.342 1.00 1.11 O ATOM 1700 CB THR A 108 -14.727 5.353 -5.792 1.00 64.10 C ATOM 1701 OG1 THR A 108 -13.939 4.368 -5.108 1.00 34.21 O ATOM 1702 CG2 THR A 108 -15.126 4.813 -7.159 1.00 10.25 C ATOM 0 H THR A 108 -13.268 6.337 -3.971 1.00 11.11 H new ATOM 0 HA THR A 108 -13.256 6.580 -6.789 1.00 74.41 H new ATOM 0 HB THR A 108 -15.625 5.564 -5.212 1.00 64.10 H new ATOM 0 HG1 THR A 108 -14.455 3.539 -5.021 1.00 34.21 H new ATOM 0 HG21 THR A 108 -15.683 3.884 -7.035 1.00 10.25 H new ATOM 0 HG22 THR A 108 -15.750 5.545 -7.671 1.00 10.25 H new ATOM 0 HG23 THR A 108 -14.230 4.623 -7.751 1.00 10.25 H new