USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= 0.837 USER MOD Set 1.2: A 60 SER OG : rot -68:sc= 0.972 USER MOD Set 2.1: A 58 GLN : amide:sc= 0.0324 K(o=0.066,f=-0.88) USER MOD Set 2.2: A 99 TYR OH : rot -102:sc= 0.0335 USER MOD Set 3.1: A 22 SER OG : rot -47:sc= 0.0225 USER MOD Set 3.2: A 49 LYS NZ :NH3+ -137:sc= -0.136 (180deg=-0.214) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= -0.0322 (180deg=-0.174) USER MOD Single : A 31 GLN : amide:sc= 0.673 K(o=0.67,f=-0.3) USER MOD Single : A 32 ASN : amide:sc= -2.5! C(o=-2.5!,f=-12!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 160:sc= 0.264 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.941 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -159:sc= 0 (180deg=-0.535) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 1.45 (180deg=1.1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.602 K(o=-0.6,f=-1.4!) USER MOD Single : A 80 ASN :FLIP amide:sc=-0.00345 F(o=-1.7!,f=-0.0034) USER MOD Single : A 101 LYS NZ :NH3+ -119:sc= 1.06 (180deg=-1.14!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.075 -0.218 -3.720 1.00 70.41 N ATOM 282 CA LEU A 19 -13.182 -0.765 -2.693 1.00 34.22 C ATOM 283 C LEU A 19 -13.331 0.000 -1.371 1.00 35.24 C ATOM 284 O LEU A 19 -13.605 1.198 -1.365 1.00 35.35 O ATOM 285 CB LEU A 19 -11.724 -0.686 -3.173 1.00 34.52 C ATOM 286 CG LEU A 19 -11.452 -1.316 -4.549 1.00 51.01 C ATOM 287 CD1 LEU A 19 -9.996 -1.105 -4.963 1.00 22.10 C ATOM 288 CD2 LEU A 19 -11.807 -2.802 -4.548 1.00 62.25 C ATOM 0 HA LEU A 19 -13.456 -1.806 -2.523 1.00 34.22 H new ATOM 0 HB2 LEU A 19 -11.425 0.362 -3.206 1.00 34.52 H new ATOM 0 HB3 LEU A 19 -11.088 -1.176 -2.435 1.00 34.52 H new ATOM 0 HG LEU A 19 -12.088 -0.818 -5.281 1.00 51.01 H new ATOM 0 HD11 LEU A 19 -9.826 -1.559 -5.939 1.00 22.10 H new ATOM 0 HD12 LEU A 19 -9.784 -0.037 -5.017 1.00 22.10 H new ATOM 0 HD13 LEU A 19 -9.338 -1.568 -4.228 1.00 22.10 H new ATOM 0 HD21 LEU A 19 -11.606 -3.225 -5.532 1.00 62.25 H new ATOM 0 HD22 LEU A 19 -11.205 -3.319 -3.801 1.00 62.25 H new ATOM 0 HD23 LEU A 19 -12.864 -2.923 -4.310 1.00 62.25 H new ATOM 300 N LYS A 20 -13.144 -0.697 -0.253 1.00 51.40 N ATOM 301 CA LYS A 20 -13.257 -0.076 1.073 1.00 34.04 C ATOM 302 C LYS A 20 -11.911 -0.054 1.818 1.00 51.13 C ATOM 303 O LYS A 20 -11.326 -1.101 2.108 1.00 61.13 O ATOM 304 CB LYS A 20 -14.321 -0.804 1.907 1.00 55.24 C ATOM 305 CG LYS A 20 -15.740 -0.606 1.381 1.00 44.23 C ATOM 306 CD LYS A 20 -16.770 -1.368 2.212 1.00 22.55 C ATOM 307 CE LYS A 20 -18.193 -1.098 1.735 1.00 45.41 C ATOM 308 NZ LYS A 20 -18.377 -1.450 0.302 1.00 45.32 N ATOM 0 H LYS A 20 -12.914 -1.691 -0.234 1.00 51.40 H new ATOM 0 HA LYS A 20 -13.561 0.961 0.927 1.00 34.04 H new ATOM 0 HB2 LYS A 20 -14.093 -1.870 1.924 1.00 55.24 H new ATOM 0 HB3 LYS A 20 -14.270 -0.450 2.937 1.00 55.24 H new ATOM 0 HG2 LYS A 20 -15.984 0.456 1.387 1.00 44.23 H new ATOM 0 HG3 LYS A 20 -15.792 -0.939 0.345 1.00 44.23 H new ATOM 0 HD2 LYS A 20 -16.564 -2.437 2.155 1.00 22.55 H new ATOM 0 HD3 LYS A 20 -16.677 -1.081 3.259 1.00 22.55 H new ATOM 0 HE2 LYS A 20 -18.894 -1.671 2.342 1.00 45.41 H new ATOM 0 HE3 LYS A 20 -18.431 -0.045 1.883 1.00 45.41 H new ATOM 0 HZ1 LYS A 20 -19.388 -1.413 0.063 1.00 45.32 H new ATOM 0 HZ2 LYS A 20 -17.856 -0.773 -0.291 1.00 45.32 H new ATOM 0 HZ3 LYS A 20 -18.015 -2.410 0.131 1.00 45.32 H new ATOM 322 N PHE A 21 -11.429 1.150 2.118 1.00 61.20 N ATOM 323 CA PHE A 21 -10.179 1.344 2.862 1.00 33.24 C ATOM 324 C PHE A 21 -10.359 1.023 4.353 1.00 45.43 C ATOM 325 O PHE A 21 -11.102 1.708 5.051 1.00 30.43 O ATOM 326 CB PHE A 21 -9.710 2.799 2.689 1.00 72.33 C ATOM 327 CG PHE A 21 -8.410 3.130 3.385 1.00 13.15 C ATOM 328 CD1 PHE A 21 -8.393 3.518 4.720 1.00 21.13 C ATOM 329 CD2 PHE A 21 -7.206 3.062 2.699 1.00 1.24 C ATOM 330 CE1 PHE A 21 -7.205 3.830 5.353 1.00 33.12 C ATOM 331 CE2 PHE A 21 -6.017 3.373 3.329 1.00 4.03 C ATOM 332 CZ PHE A 21 -6.016 3.756 4.656 1.00 3.45 C ATOM 0 H PHE A 21 -11.891 2.020 1.854 1.00 61.20 H new ATOM 0 HA PHE A 21 -9.428 0.661 2.465 1.00 33.24 H new ATOM 0 HB2 PHE A 21 -9.600 3.007 1.625 1.00 72.33 H new ATOM 0 HB3 PHE A 21 -10.487 3.464 3.065 1.00 72.33 H new ATOM 0 HD1 PHE A 21 -9.321 3.576 5.270 1.00 21.13 H new ATOM 0 HD2 PHE A 21 -7.198 2.763 1.661 1.00 1.24 H new ATOM 0 HE1 PHE A 21 -7.207 4.131 6.390 1.00 33.12 H new ATOM 0 HE2 PHE A 21 -5.087 3.317 2.783 1.00 4.03 H new ATOM 0 HZ PHE A 21 -5.085 3.997 5.148 1.00 3.45 H new ATOM 342 N SER A 22 -9.681 -0.012 4.845 1.00 11.13 N ATOM 343 CA SER A 22 -9.776 -0.374 6.268 1.00 12.40 C ATOM 344 C SER A 22 -8.587 0.156 7.078 1.00 63.10 C ATOM 345 O SER A 22 -8.771 0.942 8.012 1.00 3.15 O ATOM 346 CB SER A 22 -9.907 -1.895 6.447 1.00 2.52 C ATOM 347 OG SER A 22 -8.844 -2.598 5.824 1.00 1.31 O ATOM 0 H SER A 22 -9.067 -0.611 4.293 1.00 11.13 H new ATOM 0 HA SER A 22 -10.678 0.101 6.653 1.00 12.40 H new ATOM 0 HB2 SER A 22 -9.926 -2.134 7.510 1.00 2.52 H new ATOM 0 HB3 SER A 22 -10.857 -2.229 6.028 1.00 2.52 H new ATOM 0 HG SER A 22 -8.713 -2.255 4.916 1.00 1.31 H new ATOM 353 N ALA A 23 -7.369 -0.271 6.739 1.00 44.41 N ATOM 354 CA ALA A 23 -6.177 0.149 7.489 1.00 32.34 C ATOM 355 C ALA A 23 -4.876 -0.012 6.683 1.00 44.32 C ATOM 356 O ALA A 23 -4.880 -0.477 5.543 1.00 65.20 O ATOM 357 CB ALA A 23 -6.080 -0.633 8.797 1.00 20.24 C ATOM 0 H ALA A 23 -7.180 -0.901 5.959 1.00 44.41 H new ATOM 0 HA ALA A 23 -6.292 1.213 7.698 1.00 32.34 H new ATOM 0 HB1 ALA A 23 -5.194 -0.315 9.346 1.00 20.24 H new ATOM 0 HB2 ALA A 23 -6.968 -0.444 9.400 1.00 20.24 H new ATOM 0 HB3 ALA A 23 -6.009 -1.699 8.579 1.00 20.24 H new ATOM 363 N LEU A 24 -3.767 0.395 7.298 1.00 71.12 N ATOM 364 CA LEU A 24 -2.425 0.198 6.737 1.00 14.51 C ATOM 365 C LEU A 24 -1.918 -1.221 7.034 1.00 74.51 C ATOM 366 O LEU A 24 -1.768 -1.604 8.193 1.00 22.24 O ATOM 367 CB LEU A 24 -1.458 1.236 7.332 1.00 52.40 C ATOM 368 CG LEU A 24 0.018 1.083 6.915 1.00 73.11 C ATOM 369 CD1 LEU A 24 0.181 1.282 5.415 1.00 1.04 C ATOM 370 CD2 LEU A 24 0.899 2.058 7.693 1.00 24.25 C ATOM 0 H LEU A 24 -3.770 0.871 8.200 1.00 71.12 H new ATOM 0 HA LEU A 24 -2.475 0.327 5.656 1.00 14.51 H new ATOM 0 HB2 LEU A 24 -1.798 2.231 7.043 1.00 52.40 H new ATOM 0 HB3 LEU A 24 -1.518 1.182 8.419 1.00 52.40 H new ATOM 0 HG LEU A 24 0.337 0.069 7.155 1.00 73.11 H new ATOM 0 HD11 LEU A 24 1.231 1.169 5.145 1.00 1.04 H new ATOM 0 HD12 LEU A 24 -0.412 0.539 4.883 1.00 1.04 H new ATOM 0 HD13 LEU A 24 -0.159 2.281 5.141 1.00 1.04 H new ATOM 0 HD21 LEU A 24 1.937 1.935 7.385 1.00 24.25 H new ATOM 0 HD22 LEU A 24 0.579 3.080 7.490 1.00 24.25 H new ATOM 0 HD23 LEU A 24 0.811 1.856 8.760 1.00 24.25 H new ATOM 382 N ARG A 25 -1.639 -1.992 5.986 1.00 13.24 N ATOM 383 CA ARG A 25 -1.232 -3.391 6.148 1.00 4.15 C ATOM 384 C ARG A 25 0.218 -3.517 6.644 1.00 71.32 C ATOM 385 O ARG A 25 0.480 -4.151 7.669 1.00 72.43 O ATOM 386 CB ARG A 25 -1.399 -4.151 4.822 1.00 41.24 C ATOM 387 CG ARG A 25 -1.103 -5.649 4.919 1.00 43.43 C ATOM 388 CD ARG A 25 -2.007 -6.335 5.938 1.00 5.24 C ATOM 389 NE ARG A 25 -1.855 -7.786 5.937 1.00 35.35 N ATOM 390 CZ ARG A 25 -2.857 -8.625 5.899 1.00 44.13 C ATOM 391 NH1 ARG A 25 -4.066 -8.200 5.696 1.00 13.21 N ATOM 392 NH2 ARG A 25 -2.633 -9.893 6.012 1.00 12.22 N ATOM 0 H ARG A 25 -1.686 -1.676 5.017 1.00 13.24 H new ATOM 0 HA ARG A 25 -1.880 -3.831 6.905 1.00 4.15 H new ATOM 0 HB2 ARG A 25 -2.420 -4.016 4.464 1.00 41.24 H new ATOM 0 HB3 ARG A 25 -0.738 -3.709 4.076 1.00 41.24 H new ATOM 0 HG2 ARG A 25 -1.239 -6.111 3.941 1.00 43.43 H new ATOM 0 HG3 ARG A 25 -0.060 -5.797 5.199 1.00 43.43 H new ATOM 0 HD2 ARG A 25 -1.783 -5.951 6.933 1.00 5.24 H new ATOM 0 HD3 ARG A 25 -3.046 -6.082 5.725 1.00 5.24 H new ATOM 0 HE ARG A 25 -0.910 -8.169 5.968 1.00 35.35 H new ATOM 0 HH11 ARG A 25 -4.241 -7.204 5.564 1.00 13.21 H new ATOM 0 HH12 ARG A 25 -4.841 -8.862 5.668 1.00 13.21 H new ATOM 0 HH21 ARG A 25 -1.679 -10.234 6.130 1.00 12.22 H new ATOM 0 HH22 ARG A 25 -3.410 -10.553 5.983 1.00 12.22 H new ATOM 406 N ARG A 26 1.159 -2.916 5.917 1.00 13.33 N ATOM 407 CA ARG A 26 2.584 -3.070 6.233 1.00 3.13 C ATOM 408 C ARG A 26 3.461 -2.111 5.410 1.00 64.14 C ATOM 409 O ARG A 26 3.181 -1.851 4.243 1.00 13.21 O ATOM 410 CB ARG A 26 3.015 -4.522 5.968 1.00 22.13 C ATOM 411 CG ARG A 26 4.496 -4.796 6.201 1.00 43.45 C ATOM 412 CD ARG A 26 4.839 -6.258 5.932 1.00 22.50 C ATOM 413 NE ARG A 26 6.261 -6.547 6.108 1.00 14.30 N ATOM 414 CZ ARG A 26 6.766 -7.751 6.093 1.00 72.41 C ATOM 415 NH1 ARG A 26 5.995 -8.789 5.958 1.00 41.43 N ATOM 416 NH2 ARG A 26 8.042 -7.921 6.230 1.00 13.25 N ATOM 0 H ARG A 26 0.966 -2.322 5.111 1.00 13.33 H new ATOM 0 HA ARG A 26 2.721 -2.824 7.286 1.00 3.13 H new ATOM 0 HB2 ARG A 26 2.431 -5.183 6.609 1.00 22.13 H new ATOM 0 HB3 ARG A 26 2.769 -4.778 4.937 1.00 22.13 H new ATOM 0 HG2 ARG A 26 5.093 -4.155 5.552 1.00 43.45 H new ATOM 0 HG3 ARG A 26 4.758 -4.542 7.228 1.00 43.45 H new ATOM 0 HD2 ARG A 26 4.258 -6.892 6.602 1.00 22.50 H new ATOM 0 HD3 ARG A 26 4.544 -6.515 4.915 1.00 22.50 H new ATOM 0 HE ARG A 26 6.896 -5.762 6.251 1.00 14.30 H new ATOM 0 HH11 ARG A 26 4.987 -8.667 5.863 1.00 41.43 H new ATOM 0 HH12 ARG A 26 6.398 -9.726 5.947 1.00 41.43 H new ATOM 0 HH21 ARG A 26 8.654 -7.114 6.350 1.00 13.25 H new ATOM 0 HH22 ARG A 26 8.435 -8.862 6.218 1.00 13.25 H new ATOM 430 N GLU A 27 4.519 -1.591 6.030 1.00 44.24 N ATOM 431 CA GLU A 27 5.509 -0.761 5.327 1.00 44.01 C ATOM 432 C GLU A 27 6.846 -1.505 5.202 1.00 73.12 C ATOM 433 O GLU A 27 7.468 -1.857 6.207 1.00 12.13 O ATOM 434 CB GLU A 27 5.737 0.566 6.069 1.00 41.42 C ATOM 435 CG GLU A 27 4.479 1.406 6.262 1.00 43.30 C ATOM 436 CD GLU A 27 4.764 2.704 7.006 1.00 3.41 C ATOM 437 OE1 GLU A 27 5.094 2.642 8.209 1.00 4.32 O ATOM 438 OE2 GLU A 27 4.679 3.785 6.390 1.00 73.30 O ATOM 0 H GLU A 27 4.717 -1.728 7.021 1.00 44.24 H new ATOM 0 HA GLU A 27 5.117 -0.551 4.332 1.00 44.01 H new ATOM 0 HB2 GLU A 27 6.169 0.352 7.046 1.00 41.42 H new ATOM 0 HB3 GLU A 27 6.471 1.154 5.518 1.00 41.42 H new ATOM 0 HG2 GLU A 27 4.044 1.635 5.289 1.00 43.30 H new ATOM 0 HG3 GLU A 27 3.739 0.827 6.814 1.00 43.30 H new ATOM 445 N VAL A 28 7.288 -1.747 3.975 1.00 13.24 N ATOM 446 CA VAL A 28 8.593 -2.382 3.744 1.00 21.24 C ATOM 447 C VAL A 28 9.670 -1.320 3.462 1.00 61.33 C ATOM 448 O VAL A 28 9.580 -0.567 2.492 1.00 65.33 O ATOM 449 CB VAL A 28 8.537 -3.416 2.587 1.00 45.40 C ATOM 450 CG1 VAL A 28 7.652 -4.601 2.971 1.00 34.02 C ATOM 451 CG2 VAL A 28 8.043 -2.776 1.289 1.00 61.13 C ATOM 0 H VAL A 28 6.772 -1.518 3.126 1.00 13.24 H new ATOM 0 HA VAL A 28 8.857 -2.921 4.654 1.00 21.24 H new ATOM 0 HB VAL A 28 9.551 -3.778 2.414 1.00 45.40 H new ATOM 0 HG11 VAL A 28 7.624 -5.316 2.149 1.00 34.02 H new ATOM 0 HG12 VAL A 28 8.058 -5.085 3.859 1.00 34.02 H new ATOM 0 HG13 VAL A 28 6.642 -4.248 3.180 1.00 34.02 H new ATOM 0 HG21 VAL A 28 8.016 -3.528 0.500 1.00 61.13 H new ATOM 0 HG22 VAL A 28 7.042 -2.373 1.440 1.00 61.13 H new ATOM 0 HG23 VAL A 28 8.719 -1.971 1.000 1.00 61.13 H new ATOM 461 N ARG A 29 10.678 -1.248 4.328 1.00 63.52 N ATOM 462 CA ARG A 29 11.720 -0.219 4.219 1.00 31.02 C ATOM 463 C ARG A 29 12.926 -0.688 3.388 1.00 24.11 C ATOM 464 O ARG A 29 12.962 -1.814 2.889 1.00 2.13 O ATOM 465 CB ARG A 29 12.184 0.223 5.615 1.00 54.22 C ATOM 466 CG ARG A 29 11.120 0.968 6.414 1.00 42.02 C ATOM 467 CD ARG A 29 11.658 1.476 7.750 1.00 14.21 C ATOM 468 NE ARG A 29 10.687 2.325 8.438 1.00 75.22 N ATOM 469 CZ ARG A 29 11.000 3.279 9.270 1.00 53.53 C ATOM 470 NH1 ARG A 29 12.232 3.486 9.612 1.00 14.21 N ATOM 471 NH2 ARG A 29 10.068 4.012 9.781 1.00 20.44 N ATOM 0 H ARG A 29 10.799 -1.887 5.114 1.00 63.52 H new ATOM 0 HA ARG A 29 11.275 0.628 3.697 1.00 31.02 H new ATOM 0 HB2 ARG A 29 12.498 -0.656 6.178 1.00 54.22 H new ATOM 0 HB3 ARG A 29 13.060 0.863 5.510 1.00 54.22 H new ATOM 0 HG2 ARG A 29 10.750 1.810 5.828 1.00 42.02 H new ATOM 0 HG3 ARG A 29 10.272 0.307 6.593 1.00 42.02 H new ATOM 0 HD2 ARG A 29 11.914 0.628 8.385 1.00 14.21 H new ATOM 0 HD3 ARG A 29 12.577 2.037 7.582 1.00 14.21 H new ATOM 0 HE ARG A 29 9.697 2.160 8.255 1.00 75.22 H new ATOM 0 HH11 ARG A 29 12.973 2.899 9.229 1.00 14.21 H new ATOM 0 HH12 ARG A 29 12.461 4.236 10.264 1.00 14.21 H new ATOM 0 HH21 ARG A 29 9.093 3.843 9.533 1.00 20.44 H new ATOM 0 HH22 ARG A 29 10.307 4.760 10.432 1.00 20.44 H new ATOM 485 N ILE A 30 13.904 0.201 3.241 1.00 50.45 N ATOM 486 CA ILE A 30 15.117 -0.083 2.477 1.00 64.45 C ATOM 487 C ILE A 30 16.268 -0.505 3.407 1.00 52.22 C ATOM 488 O ILE A 30 16.740 0.288 4.226 1.00 55.31 O ATOM 489 CB ILE A 30 15.543 1.165 1.659 1.00 63.43 C ATOM 490 CG1 ILE A 30 14.381 1.637 0.766 1.00 63.43 C ATOM 491 CG2 ILE A 30 16.787 0.863 0.819 1.00 51.33 C ATOM 492 CD1 ILE A 30 14.638 2.950 0.054 1.00 24.15 C ATOM 0 H ILE A 30 13.879 1.137 3.647 1.00 50.45 H new ATOM 0 HA ILE A 30 14.898 -0.905 1.796 1.00 64.45 H new ATOM 0 HB ILE A 30 15.793 1.967 2.353 1.00 63.43 H new ATOM 0 HG12 ILE A 30 14.174 0.868 0.022 1.00 63.43 H new ATOM 0 HG13 ILE A 30 13.485 1.738 1.378 1.00 63.43 H new ATOM 0 HG21 ILE A 30 17.069 1.751 0.253 1.00 51.33 H new ATOM 0 HG22 ILE A 30 17.608 0.575 1.475 1.00 51.33 H new ATOM 0 HG23 ILE A 30 16.571 0.047 0.129 1.00 51.33 H new ATOM 0 HD11 ILE A 30 13.771 3.210 -0.553 1.00 24.15 H new ATOM 0 HD12 ILE A 30 14.814 3.735 0.790 1.00 24.15 H new ATOM 0 HD13 ILE A 30 15.514 2.851 -0.587 1.00 24.15 H new ATOM 504 N GLN A 31 16.711 -1.757 3.291 1.00 72.31 N ATOM 505 CA GLN A 31 17.793 -2.265 4.140 1.00 73.22 C ATOM 506 C GLN A 31 19.169 -1.844 3.610 1.00 44.34 C ATOM 507 O GLN A 31 19.476 -2.005 2.427 1.00 60.31 O ATOM 508 CB GLN A 31 17.721 -3.795 4.268 1.00 3.21 C ATOM 509 CG GLN A 31 18.833 -4.388 5.134 1.00 50.12 C ATOM 510 CD GLN A 31 18.658 -5.875 5.402 1.00 51.11 C ATOM 511 OE1 GLN A 31 18.088 -6.610 4.599 1.00 70.14 O ATOM 512 NE2 GLN A 31 19.143 -6.332 6.540 1.00 13.11 N ATOM 0 H GLN A 31 16.342 -2.435 2.624 1.00 72.31 H new ATOM 0 HA GLN A 31 17.661 -1.825 5.129 1.00 73.22 H new ATOM 0 HB2 GLN A 31 16.755 -4.071 4.691 1.00 3.21 H new ATOM 0 HB3 GLN A 31 17.771 -4.238 3.273 1.00 3.21 H new ATOM 0 HG2 GLN A 31 19.792 -4.225 4.643 1.00 50.12 H new ATOM 0 HG3 GLN A 31 18.867 -3.856 6.085 1.00 50.12 H new ATOM 0 HE21 GLN A 31 19.611 -5.697 7.186 1.00 13.11 H new ATOM 0 HE22 GLN A 31 19.050 -7.320 6.774 1.00 13.11 H new ATOM 521 N ASN A 32 19.988 -1.296 4.500 1.00 74.01 N ATOM 522 CA ASN A 32 21.349 -0.883 4.158 1.00 2.21 C ATOM 523 C ASN A 32 22.299 -2.089 4.163 1.00 0.34 C ATOM 524 O ASN A 32 22.149 -3.002 4.978 1.00 34.23 O ATOM 525 CB ASN A 32 21.845 0.166 5.163 1.00 4.05 C ATOM 526 CG ASN A 32 20.907 1.357 5.277 1.00 33.21 C ATOM 527 OD1 ASN A 32 19.708 1.245 5.067 1.00 1.31 O ATOM 528 ND2 ASN A 32 21.445 2.505 5.630 1.00 30.12 N ATOM 0 H ASN A 32 19.733 -1.125 5.473 1.00 74.01 H new ATOM 0 HA ASN A 32 21.336 -0.451 3.157 1.00 2.21 H new ATOM 0 HB2 ASN A 32 21.956 -0.299 6.143 1.00 4.05 H new ATOM 0 HB3 ASN A 32 22.833 0.514 4.861 1.00 4.05 H new ATOM 0 HD21 ASN A 32 20.858 3.332 5.735 1.00 30.12 H new ATOM 0 HD22 ASN A 32 22.449 2.567 5.798 1.00 30.12 H new ATOM 535 N GLU A 33 23.288 -2.081 3.273 1.00 64.21 N ATOM 536 CA GLU A 33 24.261 -3.177 3.200 1.00 73.33 C ATOM 537 C GLU A 33 25.080 -3.279 4.496 1.00 51.43 C ATOM 538 O GLU A 33 25.696 -4.308 4.781 1.00 32.14 O ATOM 539 CB GLU A 33 25.187 -2.988 1.993 1.00 4.12 C ATOM 540 CG GLU A 33 24.443 -2.905 0.663 1.00 11.11 C ATOM 541 CD GLU A 33 25.377 -2.843 -0.535 1.00 13.11 C ATOM 542 OE1 GLU A 33 25.765 -3.916 -1.046 1.00 12.14 O ATOM 543 OE2 GLU A 33 25.731 -1.724 -0.969 1.00 10.01 O ATOM 0 H GLU A 33 23.440 -1.335 2.595 1.00 64.21 H new ATOM 0 HA GLU A 33 23.711 -4.110 3.077 1.00 73.33 H new ATOM 0 HB2 GLU A 33 25.770 -2.078 2.131 1.00 4.12 H new ATOM 0 HB3 GLU A 33 25.894 -3.817 1.954 1.00 4.12 H new ATOM 0 HG2 GLU A 33 23.790 -3.772 0.563 1.00 11.11 H new ATOM 0 HG3 GLU A 33 23.804 -2.022 0.665 1.00 11.11 H new ATOM 550 N ASP A 34 25.069 -2.199 5.280 1.00 60.12 N ATOM 551 CA ASP A 34 25.688 -2.180 6.609 1.00 52.53 C ATOM 552 C ASP A 34 25.006 -3.172 7.569 1.00 3.33 C ATOM 553 O ASP A 34 25.560 -3.525 8.612 1.00 43.45 O ATOM 554 CB ASP A 34 25.610 -0.770 7.194 1.00 32.42 C ATOM 555 CG ASP A 34 26.320 0.250 6.326 1.00 5.32 C ATOM 556 OD1 ASP A 34 25.686 0.795 5.401 1.00 72.43 O ATOM 557 OD2 ASP A 34 27.516 0.511 6.569 1.00 13.20 O ATOM 0 H ASP A 34 24.633 -1.316 5.014 1.00 60.12 H new ATOM 0 HA ASP A 34 26.729 -2.481 6.496 1.00 52.53 H new ATOM 0 HB2 ASP A 34 24.565 -0.483 7.308 1.00 32.42 H new ATOM 0 HB3 ASP A 34 26.052 -0.767 8.191 1.00 32.42 H new ATOM 562 N GLY A 35 23.793 -3.602 7.223 1.00 2.53 N ATOM 563 CA GLY A 35 23.056 -4.552 8.055 1.00 55.24 C ATOM 564 C GLY A 35 21.717 -4.005 8.551 1.00 23.12 C ATOM 565 O GLY A 35 20.685 -4.676 8.451 1.00 41.01 O ATOM 0 H GLY A 35 23.302 -3.310 6.378 1.00 2.53 H new ATOM 0 HA2 GLY A 35 22.880 -5.464 7.485 1.00 55.24 H new ATOM 0 HA3 GLY A 35 23.670 -4.826 8.913 1.00 55.24 H new ATOM 569 N SER A 36 21.736 -2.793 9.105 1.00 10.41 N ATOM 570 CA SER A 36 20.515 -2.153 9.630 1.00 45.41 C ATOM 571 C SER A 36 19.610 -1.648 8.499 1.00 31.43 C ATOM 572 O SER A 36 20.070 -1.381 7.388 1.00 14.20 O ATOM 573 CB SER A 36 20.873 -0.980 10.559 1.00 74.44 C ATOM 574 OG SER A 36 21.624 -1.412 11.688 1.00 75.41 O ATOM 0 H SER A 36 22.580 -2.229 9.205 1.00 10.41 H new ATOM 0 HA SER A 36 19.972 -2.912 10.194 1.00 45.41 H new ATOM 0 HB2 SER A 36 21.446 -0.238 10.003 1.00 74.44 H new ATOM 0 HB3 SER A 36 19.959 -0.491 10.896 1.00 74.44 H new ATOM 0 HG SER A 36 21.835 -0.641 12.255 1.00 75.41 H new ATOM 580 N VAL A 37 18.318 -1.516 8.787 1.00 35.40 N ATOM 581 CA VAL A 37 17.347 -1.050 7.794 1.00 2.44 C ATOM 582 C VAL A 37 17.088 0.461 7.931 1.00 21.42 C ATOM 583 O VAL A 37 16.709 0.941 9.003 1.00 11.13 O ATOM 584 CB VAL A 37 16.010 -1.816 7.932 1.00 75.42 C ATOM 585 CG1 VAL A 37 15.033 -1.421 6.826 1.00 41.32 C ATOM 586 CG2 VAL A 37 16.252 -3.327 7.939 1.00 0.45 C ATOM 0 H VAL A 37 17.916 -1.725 9.701 1.00 35.40 H new ATOM 0 HA VAL A 37 17.772 -1.244 6.809 1.00 2.44 H new ATOM 0 HB VAL A 37 15.559 -1.541 8.885 1.00 75.42 H new ATOM 0 HG11 VAL A 37 14.102 -1.975 6.948 1.00 41.32 H new ATOM 0 HG12 VAL A 37 14.830 -0.352 6.885 1.00 41.32 H new ATOM 0 HG13 VAL A 37 15.469 -1.654 5.855 1.00 41.32 H new ATOM 0 HG21 VAL A 37 15.299 -3.848 8.037 1.00 0.45 H new ATOM 0 HG22 VAL A 37 16.733 -3.623 7.007 1.00 0.45 H new ATOM 0 HG23 VAL A 37 16.896 -3.588 8.778 1.00 0.45 H new ATOM 596 N SER A 38 17.289 1.194 6.836 1.00 11.04 N ATOM 597 CA SER A 38 17.129 2.660 6.822 1.00 52.45 C ATOM 598 C SER A 38 15.710 3.108 7.205 1.00 44.42 C ATOM 599 O SER A 38 14.762 2.321 7.189 1.00 54.11 O ATOM 600 CB SER A 38 17.444 3.214 5.427 1.00 54.15 C ATOM 601 OG SER A 38 17.293 4.628 5.390 1.00 12.10 O ATOM 0 H SER A 38 17.565 0.799 5.937 1.00 11.04 H new ATOM 0 HA SER A 38 17.825 3.050 7.565 1.00 52.45 H new ATOM 0 HB2 SER A 38 18.463 2.947 5.148 1.00 54.15 H new ATOM 0 HB3 SER A 38 16.782 2.755 4.692 1.00 54.15 H new ATOM 0 HG SER A 38 17.790 4.990 4.627 1.00 12.10 H new ATOM 607 N ASP A 39 15.571 4.393 7.526 1.00 20.15 N ATOM 608 CA ASP A 39 14.256 4.997 7.739 1.00 33.23 C ATOM 609 C ASP A 39 13.609 5.372 6.399 1.00 13.23 C ATOM 610 O ASP A 39 12.477 5.860 6.350 1.00 24.44 O ATOM 611 CB ASP A 39 14.369 6.216 8.658 1.00 14.12 C ATOM 612 CG ASP A 39 14.753 5.817 10.071 1.00 74.02 C ATOM 613 OD1 ASP A 39 13.842 5.540 10.885 1.00 34.42 O ATOM 614 OD2 ASP A 39 15.961 5.766 10.378 1.00 11.02 O ATOM 0 H ASP A 39 16.353 5.037 7.644 1.00 20.15 H new ATOM 0 HA ASP A 39 13.613 4.265 8.227 1.00 33.23 H new ATOM 0 HB2 ASP A 39 15.113 6.905 8.259 1.00 14.12 H new ATOM 0 HB3 ASP A 39 13.418 6.749 8.675 1.00 14.12 H new ATOM 619 N GLU A 40 14.345 5.149 5.311 1.00 74.10 N ATOM 620 CA GLU A 40 13.795 5.267 3.961 1.00 3.21 C ATOM 621 C GLU A 40 12.901 4.060 3.653 1.00 10.54 C ATOM 622 O GLU A 40 13.330 2.911 3.767 1.00 65.40 O ATOM 623 CB GLU A 40 14.920 5.362 2.922 1.00 55.24 C ATOM 624 CG GLU A 40 15.825 6.575 3.093 1.00 61.25 C ATOM 625 CD GLU A 40 16.892 6.663 2.017 1.00 51.11 C ATOM 626 OE1 GLU A 40 16.603 7.210 0.931 1.00 2.21 O ATOM 627 OE2 GLU A 40 18.018 6.173 2.246 1.00 4.30 O ATOM 0 H GLU A 40 15.330 4.884 5.339 1.00 74.10 H new ATOM 0 HA GLU A 40 13.200 6.179 3.910 1.00 3.21 H new ATOM 0 HB2 GLU A 40 15.527 4.459 2.977 1.00 55.24 H new ATOM 0 HB3 GLU A 40 14.478 5.389 1.926 1.00 55.24 H new ATOM 0 HG2 GLU A 40 15.219 7.481 3.074 1.00 61.25 H new ATOM 0 HG3 GLU A 40 16.303 6.532 4.071 1.00 61.25 H new ATOM 634 N ILE A 41 11.658 4.319 3.273 1.00 2.21 N ATOM 635 CA ILE A 41 10.695 3.249 3.007 1.00 1.44 C ATOM 636 C ILE A 41 10.652 2.912 1.509 1.00 3.43 C ATOM 637 O ILE A 41 10.736 3.801 0.661 1.00 73.53 O ATOM 638 CB ILE A 41 9.277 3.638 3.502 1.00 34.32 C ATOM 639 CG1 ILE A 41 9.328 4.082 4.975 1.00 5.25 C ATOM 640 CG2 ILE A 41 8.304 2.469 3.326 1.00 71.23 C ATOM 641 CD1 ILE A 41 7.989 4.522 5.532 1.00 2.15 C ATOM 0 H ILE A 41 11.288 5.260 3.141 1.00 2.21 H new ATOM 0 HA ILE A 41 11.024 2.367 3.556 1.00 1.44 H new ATOM 0 HB ILE A 41 8.918 4.473 2.900 1.00 34.32 H new ATOM 0 HG12 ILE A 41 9.709 3.258 5.579 1.00 5.25 H new ATOM 0 HG13 ILE A 41 10.038 4.903 5.072 1.00 5.25 H new ATOM 0 HG21 ILE A 41 7.315 2.762 3.679 1.00 71.23 H new ATOM 0 HG22 ILE A 41 8.247 2.198 2.272 1.00 71.23 H new ATOM 0 HG23 ILE A 41 8.656 1.613 3.902 1.00 71.23 H new ATOM 0 HD11 ILE A 41 8.108 4.819 6.574 1.00 2.15 H new ATOM 0 HD12 ILE A 41 7.614 5.367 4.954 1.00 2.15 H new ATOM 0 HD13 ILE A 41 7.280 3.697 5.469 1.00 2.15 H new ATOM 653 N LYS A 42 10.536 1.627 1.185 1.00 60.01 N ATOM 654 CA LYS A 42 10.495 1.191 -0.214 1.00 55.33 C ATOM 655 C LYS A 42 9.056 1.221 -0.758 1.00 62.13 C ATOM 656 O LYS A 42 8.758 1.943 -1.715 1.00 10.01 O ATOM 657 CB LYS A 42 11.085 -0.225 -0.337 1.00 13.13 C ATOM 658 CG LYS A 42 11.311 -0.687 -1.774 1.00 13.04 C ATOM 659 CD LYS A 42 12.255 0.251 -2.522 1.00 42.14 C ATOM 660 CE LYS A 42 12.575 -0.257 -3.922 1.00 62.22 C ATOM 661 NZ LYS A 42 13.383 0.723 -4.694 1.00 23.40 N ATOM 0 H LYS A 42 10.469 0.870 1.866 1.00 60.01 H new ATOM 0 HA LYS A 42 11.094 1.880 -0.809 1.00 55.33 H new ATOM 0 HB2 LYS A 42 12.035 -0.258 0.197 1.00 13.13 H new ATOM 0 HB3 LYS A 42 10.416 -0.929 0.158 1.00 13.13 H new ATOM 0 HG2 LYS A 42 11.725 -1.695 -1.772 1.00 13.04 H new ATOM 0 HG3 LYS A 42 10.355 -0.735 -2.296 1.00 13.04 H new ATOM 0 HD2 LYS A 42 11.804 1.241 -2.590 1.00 42.14 H new ATOM 0 HD3 LYS A 42 13.180 0.361 -1.956 1.00 42.14 H new ATOM 0 HE2 LYS A 42 13.118 -1.200 -3.851 1.00 62.22 H new ATOM 0 HE3 LYS A 42 11.647 -0.463 -4.455 1.00 62.22 H new ATOM 0 HZ1 LYS A 42 13.580 0.341 -5.641 1.00 23.40 H new ATOM 0 HZ2 LYS A 42 12.855 1.614 -4.783 1.00 23.40 H new ATOM 0 HZ3 LYS A 42 14.280 0.900 -4.199 1.00 23.40 H new ATOM 675 N GLU A 43 8.166 0.456 -0.123 1.00 10.02 N ATOM 676 CA GLU A 43 6.742 0.430 -0.490 1.00 14.21 C ATOM 677 C GLU A 43 5.835 0.430 0.748 1.00 62.23 C ATOM 678 O GLU A 43 6.259 0.091 1.855 1.00 71.52 O ATOM 679 CB GLU A 43 6.422 -0.795 -1.359 1.00 43.23 C ATOM 680 CG GLU A 43 7.153 -0.809 -2.693 1.00 31.23 C ATOM 681 CD GLU A 43 6.606 -1.851 -3.656 1.00 54.34 C ATOM 682 OE1 GLU A 43 5.457 -1.699 -4.116 1.00 50.52 O ATOM 683 OE2 GLU A 43 7.321 -2.827 -3.968 1.00 12.21 O ATOM 0 H GLU A 43 8.405 -0.160 0.654 1.00 10.02 H new ATOM 0 HA GLU A 43 6.546 1.338 -1.061 1.00 14.21 H new ATOM 0 HB2 GLU A 43 6.678 -1.698 -0.805 1.00 43.23 H new ATOM 0 HB3 GLU A 43 5.348 -0.828 -1.543 1.00 43.23 H new ATOM 0 HG2 GLU A 43 7.080 0.177 -3.152 1.00 31.23 H new ATOM 0 HG3 GLU A 43 8.212 -1.002 -2.520 1.00 31.23 H new ATOM 690 N ARG A 44 4.576 0.797 0.539 1.00 20.23 N ATOM 691 CA ARG A 44 3.598 0.903 1.621 1.00 53.42 C ATOM 692 C ARG A 44 2.279 0.203 1.239 1.00 42.21 C ATOM 693 O ARG A 44 1.553 0.660 0.356 1.00 12.01 O ATOM 694 CB ARG A 44 3.362 2.387 1.935 1.00 65.35 C ATOM 695 CG ARG A 44 2.294 2.649 2.988 1.00 25.04 C ATOM 696 CD ARG A 44 2.227 4.127 3.359 1.00 4.35 C ATOM 697 NE ARG A 44 3.435 4.573 4.045 1.00 32.10 N ATOM 698 CZ ARG A 44 3.972 5.754 3.912 1.00 10.55 C ATOM 699 NH1 ARG A 44 3.467 6.620 3.095 1.00 11.01 N ATOM 700 NH2 ARG A 44 5.017 6.057 4.609 1.00 24.33 N ATOM 0 H ARG A 44 4.203 1.029 -0.381 1.00 20.23 H new ATOM 0 HA ARG A 44 3.985 0.404 2.510 1.00 53.42 H new ATOM 0 HB2 ARG A 44 4.301 2.828 2.271 1.00 65.35 H new ATOM 0 HB3 ARG A 44 3.080 2.899 1.015 1.00 65.35 H new ATOM 0 HG2 ARG A 44 1.324 2.322 2.613 1.00 25.04 H new ATOM 0 HG3 ARG A 44 2.507 2.058 3.879 1.00 25.04 H new ATOM 0 HD2 ARG A 44 2.082 4.721 2.457 1.00 4.35 H new ATOM 0 HD3 ARG A 44 1.362 4.302 3.998 1.00 4.35 H new ATOM 0 HE ARG A 44 3.893 3.913 4.674 1.00 32.10 H new ATOM 0 HH11 ARG A 44 2.640 6.382 2.547 1.00 11.01 H new ATOM 0 HH12 ARG A 44 3.895 7.541 2.999 1.00 11.01 H new ATOM 0 HH21 ARG A 44 5.414 5.375 5.256 1.00 24.33 H new ATOM 0 HH22 ARG A 44 5.445 6.978 4.513 1.00 24.33 H new ATOM 714 N THR A 45 1.986 -0.908 1.913 1.00 64.10 N ATOM 715 CA THR A 45 0.810 -1.738 1.602 1.00 4.23 C ATOM 716 C THR A 45 -0.403 -1.391 2.484 1.00 74.23 C ATOM 717 O THR A 45 -0.289 -1.304 3.707 1.00 14.35 O ATOM 718 CB THR A 45 1.132 -3.244 1.781 1.00 23.15 C ATOM 719 OG1 THR A 45 2.305 -3.595 1.030 1.00 33.13 O ATOM 720 CG2 THR A 45 -0.038 -4.117 1.333 1.00 21.33 C ATOM 0 H THR A 45 2.549 -1.262 2.686 1.00 64.10 H new ATOM 0 HA THR A 45 0.558 -1.527 0.563 1.00 4.23 H new ATOM 0 HB THR A 45 1.311 -3.421 2.842 1.00 23.15 H new ATOM 0 HG1 THR A 45 2.499 -4.548 1.152 1.00 33.13 H new ATOM 0 HG21 THR A 45 0.218 -5.167 1.471 1.00 21.33 H new ATOM 0 HG22 THR A 45 -0.919 -3.877 1.928 1.00 21.33 H new ATOM 0 HG23 THR A 45 -0.249 -3.930 0.280 1.00 21.33 H new ATOM 728 N TYR A 46 -1.563 -1.213 1.852 1.00 14.11 N ATOM 729 CA TYR A 46 -2.824 -0.942 2.562 1.00 53.11 C ATOM 730 C TYR A 46 -3.818 -2.108 2.409 1.00 61.41 C ATOM 731 O TYR A 46 -3.791 -2.837 1.414 1.00 3.25 O ATOM 732 CB TYR A 46 -3.478 0.341 2.024 1.00 0.43 C ATOM 733 CG TYR A 46 -2.698 1.620 2.278 1.00 72.33 C ATOM 734 CD1 TYR A 46 -2.880 2.348 3.452 1.00 72.12 C ATOM 735 CD2 TYR A 46 -1.802 2.116 1.336 1.00 20.40 C ATOM 736 CE1 TYR A 46 -2.194 3.526 3.676 1.00 61.34 C ATOM 737 CE2 TYR A 46 -1.117 3.297 1.554 1.00 71.25 C ATOM 738 CZ TYR A 46 -1.316 3.995 2.724 1.00 13.22 C ATOM 739 OH TYR A 46 -0.644 5.175 2.945 1.00 20.01 O ATOM 0 H TYR A 46 -1.661 -1.251 0.837 1.00 14.11 H new ATOM 0 HA TYR A 46 -2.581 -0.821 3.618 1.00 53.11 H new ATOM 0 HB2 TYR A 46 -3.625 0.232 0.950 1.00 0.43 H new ATOM 0 HB3 TYR A 46 -4.466 0.442 2.473 1.00 0.43 H new ATOM 0 HD1 TYR A 46 -3.569 1.985 4.200 1.00 72.12 H new ATOM 0 HD2 TYR A 46 -1.639 1.569 0.419 1.00 20.40 H new ATOM 0 HE1 TYR A 46 -2.345 4.076 4.593 1.00 61.34 H new ATOM 0 HE2 TYR A 46 -0.429 3.670 0.810 1.00 71.25 H new ATOM 0 HH TYR A 46 -0.062 5.368 2.180 1.00 20.01 H new ATOM 749 N ASP A 47 -4.697 -2.269 3.400 1.00 73.31 N ATOM 750 CA ASP A 47 -5.784 -3.252 3.336 1.00 24.31 C ATOM 751 C ASP A 47 -7.036 -2.655 2.671 1.00 11.32 C ATOM 752 O ASP A 47 -7.703 -1.785 3.244 1.00 72.50 O ATOM 753 CB ASP A 47 -6.161 -3.736 4.745 1.00 53.43 C ATOM 754 CG ASP A 47 -5.137 -4.669 5.359 1.00 51.32 C ATOM 755 OD1 ASP A 47 -4.758 -5.654 4.696 1.00 2.24 O ATOM 756 OD2 ASP A 47 -4.732 -4.435 6.520 1.00 42.43 O ATOM 0 H ASP A 47 -4.678 -1.727 4.264 1.00 73.31 H new ATOM 0 HA ASP A 47 -5.425 -4.091 2.740 1.00 24.31 H new ATOM 0 HB2 ASP A 47 -6.288 -2.871 5.396 1.00 53.43 H new ATOM 0 HB3 ASP A 47 -7.124 -4.245 4.700 1.00 53.43 H new ATOM 761 N LEU A 48 -7.358 -3.115 1.463 1.00 1.12 N ATOM 762 CA LEU A 48 -8.593 -2.697 0.790 1.00 42.11 C ATOM 763 C LEU A 48 -9.554 -3.885 0.623 1.00 14.34 C ATOM 764 O LEU A 48 -9.161 -4.959 0.168 1.00 62.14 O ATOM 765 CB LEU A 48 -8.291 -2.070 -0.583 1.00 24.14 C ATOM 766 CG LEU A 48 -7.359 -0.841 -0.574 1.00 11.31 C ATOM 767 CD1 LEU A 48 -7.303 -0.191 -1.956 1.00 5.13 C ATOM 768 CD2 LEU A 48 -7.797 0.176 0.481 1.00 55.31 C ATOM 0 H LEU A 48 -6.788 -3.772 0.931 1.00 1.12 H new ATOM 0 HA LEU A 48 -9.071 -1.944 1.417 1.00 42.11 H new ATOM 0 HB2 LEU A 48 -7.845 -2.835 -1.219 1.00 24.14 H new ATOM 0 HB3 LEU A 48 -9.235 -1.782 -1.044 1.00 24.14 H new ATOM 0 HG LEU A 48 -6.358 -1.185 -0.316 1.00 11.31 H new ATOM 0 HD11 LEU A 48 -6.640 0.673 -1.925 1.00 5.13 H new ATOM 0 HD12 LEU A 48 -6.926 -0.912 -2.682 1.00 5.13 H new ATOM 0 HD13 LEU A 48 -8.303 0.129 -2.248 1.00 5.13 H new ATOM 0 HD21 LEU A 48 -7.122 1.031 0.464 1.00 55.31 H new ATOM 0 HD22 LEU A 48 -8.812 0.510 0.265 1.00 55.31 H new ATOM 0 HD23 LEU A 48 -7.770 -0.288 1.467 1.00 55.31 H new ATOM 780 N LYS A 49 -10.811 -3.694 1.010 1.00 52.22 N ATOM 781 CA LYS A 49 -11.825 -4.743 0.864 1.00 34.42 C ATOM 782 C LYS A 49 -12.483 -4.678 -0.524 1.00 2.10 C ATOM 783 O LYS A 49 -13.111 -3.677 -0.880 1.00 74.24 O ATOM 784 CB LYS A 49 -12.886 -4.625 1.971 1.00 74.34 C ATOM 785 CG LYS A 49 -12.319 -4.736 3.389 1.00 60.53 C ATOM 786 CD LYS A 49 -11.449 -5.986 3.555 1.00 11.03 C ATOM 787 CE LYS A 49 -11.009 -6.202 4.999 1.00 70.32 C ATOM 788 NZ LYS A 49 -10.294 -5.024 5.561 1.00 30.20 N ATOM 0 H LYS A 49 -11.155 -2.828 1.426 1.00 52.22 H new ATOM 0 HA LYS A 49 -11.331 -5.710 0.961 1.00 34.42 H new ATOM 0 HB2 LYS A 49 -13.398 -3.668 1.869 1.00 74.34 H new ATOM 0 HB3 LYS A 49 -13.635 -5.404 1.828 1.00 74.34 H new ATOM 0 HG2 LYS A 49 -11.728 -3.849 3.615 1.00 60.53 H new ATOM 0 HG3 LYS A 49 -13.138 -4.765 4.107 1.00 60.53 H new ATOM 0 HD2 LYS A 49 -12.004 -6.859 3.213 1.00 11.03 H new ATOM 0 HD3 LYS A 49 -10.568 -5.899 2.919 1.00 11.03 H new ATOM 0 HE2 LYS A 49 -11.883 -6.419 5.613 1.00 70.32 H new ATOM 0 HE3 LYS A 49 -10.359 -7.075 5.050 1.00 70.32 H new ATOM 0 HZ1 LYS A 49 -9.465 -5.346 6.100 1.00 30.20 H new ATOM 0 HZ2 LYS A 49 -9.984 -4.404 4.786 1.00 30.20 H new ATOM 0 HZ3 LYS A 49 -10.933 -4.498 6.190 1.00 30.20 H new ATOM 802 N SER A 50 -12.327 -5.750 -1.306 1.00 51.14 N ATOM 803 CA SER A 50 -12.838 -5.794 -2.685 1.00 32.13 C ATOM 804 C SER A 50 -14.218 -6.450 -2.775 1.00 54.42 C ATOM 805 O SER A 50 -14.533 -7.383 -2.035 1.00 73.34 O ATOM 806 CB SER A 50 -11.863 -6.547 -3.599 1.00 72.11 C ATOM 807 OG SER A 50 -12.381 -6.676 -4.919 1.00 14.23 O ATOM 0 H SER A 50 -11.851 -6.602 -1.010 1.00 51.14 H new ATOM 0 HA SER A 50 -12.933 -4.759 -3.014 1.00 32.13 H new ATOM 0 HB2 SER A 50 -10.910 -6.019 -3.631 1.00 72.11 H new ATOM 0 HB3 SER A 50 -11.665 -7.536 -3.186 1.00 72.11 H new ATOM 0 HG SER A 50 -11.736 -7.158 -5.478 1.00 14.23 H new ATOM 866 N ARG A 55 -12.365 -11.562 -1.467 1.00 74.45 N ATOM 867 CA ARG A 55 -11.033 -11.586 -0.849 1.00 63.24 C ATOM 868 C ARG A 55 -10.520 -10.172 -0.553 1.00 33.22 C ATOM 869 O ARG A 55 -10.814 -9.223 -1.286 1.00 71.04 O ATOM 870 CB ARG A 55 -10.036 -12.301 -1.780 1.00 63.50 C ATOM 871 CG ARG A 55 -10.088 -13.826 -1.716 1.00 55.03 C ATOM 872 CD ARG A 55 -9.478 -14.353 -0.420 1.00 43.02 C ATOM 873 NE ARG A 55 -9.437 -15.812 -0.385 1.00 12.25 N ATOM 874 CZ ARG A 55 -8.511 -16.507 0.218 1.00 74.24 C ATOM 875 NH1 ARG A 55 -7.516 -15.922 0.809 1.00 21.01 N ATOM 876 NH2 ARG A 55 -8.573 -17.799 0.208 1.00 73.21 N ATOM 0 HA ARG A 55 -11.118 -12.124 0.095 1.00 63.24 H new ATOM 0 HB2 ARG A 55 -10.228 -11.987 -2.806 1.00 63.50 H new ATOM 0 HB3 ARG A 55 -9.027 -11.974 -1.530 1.00 63.50 H new ATOM 0 HG2 ARG A 55 -11.123 -14.159 -1.794 1.00 55.03 H new ATOM 0 HG3 ARG A 55 -9.553 -14.245 -2.568 1.00 55.03 H new ATOM 0 HD2 ARG A 55 -8.467 -13.960 -0.310 1.00 43.02 H new ATOM 0 HD3 ARG A 55 -10.057 -13.987 0.428 1.00 43.02 H new ATOM 0 HE ARG A 55 -10.180 -16.321 -0.863 1.00 12.25 H new ATOM 0 HH11 ARG A 55 -7.449 -14.904 0.807 1.00 21.01 H new ATOM 0 HH12 ARG A 55 -6.801 -16.480 1.276 1.00 21.01 H new ATOM 0 HH21 ARG A 55 -9.342 -18.269 -0.269 1.00 73.21 H new ATOM 0 HH22 ARG A 55 -7.853 -18.348 0.677 1.00 73.21 H new ATOM 890 N MET A 56 -9.757 -10.042 0.530 1.00 51.41 N ATOM 891 CA MET A 56 -9.060 -8.792 0.831 1.00 12.23 C ATOM 892 C MET A 56 -7.923 -8.575 -0.176 1.00 12.24 C ATOM 893 O MET A 56 -7.155 -9.494 -0.462 1.00 30.10 O ATOM 894 CB MET A 56 -8.496 -8.823 2.262 1.00 25.32 C ATOM 895 CG MET A 56 -7.430 -9.894 2.485 1.00 10.32 C ATOM 896 SD MET A 56 -6.690 -9.823 4.129 1.00 43.13 S ATOM 897 CE MET A 56 -5.412 -11.072 3.967 1.00 34.13 C ATOM 0 H MET A 56 -9.605 -10.784 1.213 1.00 51.41 H new ATOM 0 HA MET A 56 -9.769 -7.968 0.755 1.00 12.23 H new ATOM 0 HB2 MET A 56 -8.071 -7.847 2.495 1.00 25.32 H new ATOM 0 HB3 MET A 56 -9.315 -8.989 2.961 1.00 25.32 H new ATOM 0 HG2 MET A 56 -7.875 -10.878 2.335 1.00 10.32 H new ATOM 0 HG3 MET A 56 -6.647 -9.781 1.735 1.00 10.32 H new ATOM 0 HE1 MET A 56 -5.116 -11.420 4.957 1.00 34.13 H new ATOM 0 HE2 MET A 56 -5.795 -11.911 3.387 1.00 34.13 H new ATOM 0 HE3 MET A 56 -4.548 -10.644 3.459 1.00 34.13 H new ATOM 907 N ILE A 57 -7.822 -7.377 -0.732 1.00 45.13 N ATOM 908 CA ILE A 57 -6.735 -7.068 -1.663 1.00 61.41 C ATOM 909 C ILE A 57 -5.657 -6.214 -0.980 1.00 32.25 C ATOM 910 O ILE A 57 -5.923 -5.099 -0.518 1.00 22.23 O ATOM 911 CB ILE A 57 -7.250 -6.365 -2.949 1.00 61.20 C ATOM 912 CG1 ILE A 57 -7.922 -5.019 -2.628 1.00 12.40 C ATOM 913 CG2 ILE A 57 -8.221 -7.277 -3.695 1.00 62.05 C ATOM 914 CD1 ILE A 57 -8.411 -4.270 -3.851 1.00 44.01 C ATOM 0 H ILE A 57 -8.469 -6.607 -0.561 1.00 45.13 H new ATOM 0 HA ILE A 57 -6.292 -8.018 -1.964 1.00 61.41 H new ATOM 0 HB ILE A 57 -6.389 -6.162 -3.586 1.00 61.20 H new ATOM 0 HG12 ILE A 57 -8.766 -5.195 -1.961 1.00 12.40 H new ATOM 0 HG13 ILE A 57 -7.214 -4.390 -2.088 1.00 12.40 H new ATOM 0 HG21 ILE A 57 -8.575 -6.773 -4.594 1.00 62.05 H new ATOM 0 HG22 ILE A 57 -7.713 -8.200 -3.972 1.00 62.05 H new ATOM 0 HG23 ILE A 57 -9.069 -7.509 -3.051 1.00 62.05 H new ATOM 0 HD11 ILE A 57 -8.872 -3.332 -3.543 1.00 44.01 H new ATOM 0 HD12 ILE A 57 -7.569 -4.061 -4.510 1.00 44.01 H new ATOM 0 HD13 ILE A 57 -9.144 -4.878 -4.381 1.00 44.01 H new ATOM 926 N GLN A 58 -4.440 -6.745 -0.893 1.00 74.23 N ATOM 927 CA GLN A 58 -3.346 -6.014 -0.256 1.00 74.42 C ATOM 928 C GLN A 58 -2.652 -5.118 -1.288 1.00 34.50 C ATOM 929 O GLN A 58 -1.889 -5.590 -2.127 1.00 41.41 O ATOM 930 CB GLN A 58 -2.352 -7.003 0.370 1.00 11.44 C ATOM 931 CG GLN A 58 -2.983 -7.938 1.400 1.00 24.14 C ATOM 932 CD GLN A 58 -2.002 -8.967 1.943 1.00 62.30 C ATOM 933 OE1 GLN A 58 -1.331 -8.744 2.945 1.00 33.22 O ATOM 934 NE2 GLN A 58 -1.900 -10.102 1.279 1.00 41.13 N ATOM 0 H GLN A 58 -4.187 -7.666 -1.250 1.00 74.23 H new ATOM 0 HA GLN A 58 -3.744 -5.381 0.537 1.00 74.42 H new ATOM 0 HB2 GLN A 58 -1.900 -7.601 -0.422 1.00 11.44 H new ATOM 0 HB3 GLN A 58 -1.547 -6.443 0.846 1.00 11.44 H new ATOM 0 HG2 GLN A 58 -3.377 -7.347 2.227 1.00 24.14 H new ATOM 0 HG3 GLN A 58 -3.829 -8.454 0.945 1.00 24.14 H new ATOM 0 HE21 GLN A 58 -2.471 -10.260 0.449 1.00 41.13 H new ATOM 0 HE22 GLN A 58 -1.250 -10.822 1.596 1.00 41.13 H new ATOM 943 N VAL A 59 -2.920 -3.818 -1.223 1.00 33.43 N ATOM 944 CA VAL A 59 -2.443 -2.881 -2.246 1.00 31.21 C ATOM 945 C VAL A 59 -1.116 -2.221 -1.855 1.00 12.50 C ATOM 946 O VAL A 59 -1.027 -1.523 -0.849 1.00 74.31 O ATOM 947 CB VAL A 59 -3.499 -1.788 -2.536 1.00 72.11 C ATOM 948 CG1 VAL A 59 -2.977 -0.769 -3.549 1.00 42.22 C ATOM 949 CG2 VAL A 59 -4.798 -2.428 -3.025 1.00 34.21 C ATOM 0 H VAL A 59 -3.463 -3.385 -0.476 1.00 33.43 H new ATOM 0 HA VAL A 59 -2.276 -3.469 -3.148 1.00 31.21 H new ATOM 0 HB VAL A 59 -3.702 -1.253 -1.608 1.00 72.11 H new ATOM 0 HG11 VAL A 59 -3.741 -0.014 -3.732 1.00 42.22 H new ATOM 0 HG12 VAL A 59 -2.081 -0.290 -3.154 1.00 42.22 H new ATOM 0 HG13 VAL A 59 -2.736 -1.276 -4.484 1.00 42.22 H new ATOM 0 HG21 VAL A 59 -5.534 -1.650 -3.226 1.00 34.21 H new ATOM 0 HG22 VAL A 59 -4.605 -2.990 -3.939 1.00 34.21 H new ATOM 0 HG23 VAL A 59 -5.182 -3.102 -2.259 1.00 34.21 H new ATOM 959 N SER A 60 -0.095 -2.435 -2.677 1.00 5.44 N ATOM 960 CA SER A 60 1.245 -1.895 -2.415 1.00 24.31 C ATOM 961 C SER A 60 1.569 -0.729 -3.356 1.00 41.01 C ATOM 962 O SER A 60 1.537 -0.878 -4.578 1.00 0.41 O ATOM 963 CB SER A 60 2.309 -2.990 -2.579 1.00 22.01 C ATOM 964 OG SER A 60 2.039 -4.104 -1.739 1.00 71.24 O ATOM 0 H SER A 60 -0.165 -2.981 -3.536 1.00 5.44 H new ATOM 0 HA SER A 60 1.255 -1.529 -1.388 1.00 24.31 H new ATOM 0 HB2 SER A 60 2.341 -3.316 -3.619 1.00 22.01 H new ATOM 0 HB3 SER A 60 3.292 -2.583 -2.342 1.00 22.01 H new ATOM 0 HG SER A 60 2.155 -3.843 -0.802 1.00 71.24 H new ATOM 970 N ILE A 61 1.868 0.432 -2.785 1.00 21.34 N ATOM 971 CA ILE A 61 2.302 1.594 -3.567 1.00 52.05 C ATOM 972 C ILE A 61 3.711 2.034 -3.145 1.00 23.24 C ATOM 973 O ILE A 61 4.075 1.917 -1.972 1.00 61.01 O ATOM 974 CB ILE A 61 1.329 2.791 -3.408 1.00 65.41 C ATOM 975 CG1 ILE A 61 1.227 3.224 -1.931 1.00 42.13 C ATOM 976 CG2 ILE A 61 -0.046 2.435 -3.966 1.00 32.24 C ATOM 977 CD1 ILE A 61 0.352 4.439 -1.707 1.00 12.23 C ATOM 0 H ILE A 61 1.819 0.598 -1.780 1.00 21.34 H new ATOM 0 HA ILE A 61 2.308 1.288 -4.613 1.00 52.05 H new ATOM 0 HB ILE A 61 1.724 3.633 -3.977 1.00 65.41 H new ATOM 0 HG12 ILE A 61 0.835 2.393 -1.345 1.00 42.13 H new ATOM 0 HG13 ILE A 61 2.228 3.435 -1.554 1.00 42.13 H new ATOM 0 HG21 ILE A 61 -0.718 3.285 -3.847 1.00 32.24 H new ATOM 0 HG22 ILE A 61 0.043 2.188 -5.024 1.00 32.24 H new ATOM 0 HG23 ILE A 61 -0.447 1.577 -3.426 1.00 32.24 H new ATOM 0 HD11 ILE A 61 0.331 4.681 -0.644 1.00 12.23 H new ATOM 0 HD12 ILE A 61 0.755 5.285 -2.264 1.00 12.23 H new ATOM 0 HD13 ILE A 61 -0.660 4.227 -2.051 1.00 12.23 H new ATOM 989 N PRO A 62 4.536 2.538 -4.083 1.00 15.11 N ATOM 990 CA PRO A 62 5.884 3.032 -3.756 1.00 72.41 C ATOM 991 C PRO A 62 5.855 4.146 -2.697 1.00 1.13 C ATOM 992 O PRO A 62 5.060 5.081 -2.790 1.00 70.22 O ATOM 993 CB PRO A 62 6.408 3.580 -5.092 1.00 52.11 C ATOM 994 CG PRO A 62 5.594 2.889 -6.138 1.00 52.13 C ATOM 995 CD PRO A 62 4.237 2.662 -5.523 1.00 75.21 C ATOM 0 HA PRO A 62 6.509 2.246 -3.332 1.00 72.41 H new ATOM 0 HB2 PRO A 62 6.288 4.662 -5.149 1.00 52.11 H new ATOM 0 HB3 PRO A 62 7.470 3.370 -5.216 1.00 52.11 H new ATOM 0 HG2 PRO A 62 5.518 3.498 -7.039 1.00 52.13 H new ATOM 0 HG3 PRO A 62 6.053 1.945 -6.430 1.00 52.13 H new ATOM 0 HD2 PRO A 62 3.560 3.492 -5.724 1.00 75.21 H new ATOM 0 HD3 PRO A 62 3.763 1.762 -5.915 1.00 75.21 H new ATOM 1003 N ALA A 63 6.740 4.057 -1.706 1.00 34.34 N ATOM 1004 CA ALA A 63 6.785 5.037 -0.610 1.00 14.11 C ATOM 1005 C ALA A 63 7.143 6.456 -1.092 1.00 65.25 C ATOM 1006 O ALA A 63 7.110 7.411 -0.316 1.00 12.14 O ATOM 1007 CB ALA A 63 7.771 4.581 0.449 1.00 15.21 C ATOM 0 H ALA A 63 7.439 3.317 -1.635 1.00 34.34 H new ATOM 0 HA ALA A 63 5.782 5.091 -0.186 1.00 14.11 H new ATOM 0 HB1 ALA A 63 7.800 5.311 1.258 1.00 15.21 H new ATOM 0 HB2 ALA A 63 7.460 3.614 0.844 1.00 15.21 H new ATOM 0 HB3 ALA A 63 8.763 4.490 0.007 1.00 15.21 H new ATOM 1013 N SER A 64 7.502 6.584 -2.366 1.00 11.11 N ATOM 1014 CA SER A 64 7.737 7.897 -2.980 1.00 5.11 C ATOM 1015 C SER A 64 6.414 8.667 -3.153 1.00 31.31 C ATOM 1016 O SER A 64 6.412 9.893 -3.295 1.00 10.32 O ATOM 1017 CB SER A 64 8.435 7.733 -4.335 1.00 51.22 C ATOM 1018 OG SER A 64 7.664 6.936 -5.223 1.00 23.20 O ATOM 0 H SER A 64 7.638 5.796 -2.999 1.00 11.11 H new ATOM 0 HA SER A 64 8.383 8.472 -2.317 1.00 5.11 H new ATOM 0 HB2 SER A 64 8.605 8.714 -4.779 1.00 51.22 H new ATOM 0 HB3 SER A 64 9.413 7.275 -4.189 1.00 51.22 H new ATOM 0 HG SER A 64 8.134 6.851 -6.079 1.00 23.20 H new ATOM 1024 N VAL A 65 5.301 7.929 -3.136 1.00 65.21 N ATOM 1025 CA VAL A 65 3.955 8.511 -3.195 1.00 13.22 C ATOM 1026 C VAL A 65 3.503 8.987 -1.797 1.00 62.14 C ATOM 1027 O VAL A 65 3.675 8.268 -0.807 1.00 25.52 O ATOM 1028 CB VAL A 65 2.933 7.474 -3.742 1.00 12.40 C ATOM 1029 CG1 VAL A 65 1.535 8.078 -3.855 1.00 31.21 C ATOM 1030 CG2 VAL A 65 3.393 6.918 -5.092 1.00 33.12 C ATOM 0 H VAL A 65 5.306 6.911 -3.081 1.00 65.21 H new ATOM 0 HA VAL A 65 3.992 9.367 -3.868 1.00 13.22 H new ATOM 0 HB VAL A 65 2.883 6.650 -3.030 1.00 12.40 H new ATOM 0 HG11 VAL A 65 0.845 7.328 -4.240 1.00 31.21 H new ATOM 0 HG12 VAL A 65 1.201 8.408 -2.871 1.00 31.21 H new ATOM 0 HG13 VAL A 65 1.561 8.930 -4.534 1.00 31.21 H new ATOM 0 HG21 VAL A 65 2.663 6.195 -5.455 1.00 33.12 H new ATOM 0 HG22 VAL A 65 3.484 7.734 -5.809 1.00 33.12 H new ATOM 0 HG23 VAL A 65 4.360 6.429 -4.974 1.00 33.12 H new ATOM 1040 N PRO A 66 2.946 10.215 -1.689 1.00 1.44 N ATOM 1041 CA PRO A 66 2.469 10.778 -0.404 1.00 2.03 C ATOM 1042 C PRO A 66 1.552 9.836 0.404 1.00 33.51 C ATOM 1043 O PRO A 66 0.834 9.008 -0.158 1.00 52.34 O ATOM 1044 CB PRO A 66 1.697 12.027 -0.841 1.00 50.44 C ATOM 1045 CG PRO A 66 2.356 12.444 -2.109 1.00 63.44 C ATOM 1046 CD PRO A 66 2.758 11.169 -2.804 1.00 63.34 C ATOM 0 HA PRO A 66 3.303 10.966 0.272 1.00 2.03 H new ATOM 0 HB2 PRO A 66 0.641 11.807 -0.996 1.00 50.44 H new ATOM 0 HB3 PRO A 66 1.752 12.812 -0.087 1.00 50.44 H new ATOM 0 HG2 PRO A 66 1.676 13.029 -2.729 1.00 63.44 H new ATOM 0 HG3 PRO A 66 3.225 13.071 -1.910 1.00 63.44 H new ATOM 0 HD2 PRO A 66 1.989 10.830 -3.498 1.00 63.34 H new ATOM 0 HD3 PRO A 66 3.673 11.298 -3.381 1.00 63.34 H new ATOM 1054 N LEU A 67 1.580 9.990 1.731 1.00 61.24 N ATOM 1055 CA LEU A 67 0.773 9.166 2.647 1.00 54.41 C ATOM 1056 C LEU A 67 -0.737 9.378 2.442 1.00 3.35 C ATOM 1057 O LEU A 67 -1.204 10.510 2.298 1.00 73.20 O ATOM 1058 CB LEU A 67 1.145 9.502 4.100 1.00 0.25 C ATOM 1059 CG LEU A 67 0.352 8.755 5.187 1.00 70.44 C ATOM 1060 CD1 LEU A 67 0.583 7.251 5.093 1.00 54.40 C ATOM 1061 CD2 LEU A 67 0.723 9.273 6.574 1.00 42.44 C ATOM 0 H LEU A 67 2.159 10.685 2.203 1.00 61.24 H new ATOM 0 HA LEU A 67 0.992 8.120 2.430 1.00 54.41 H new ATOM 0 HB2 LEU A 67 2.205 9.291 4.241 1.00 0.25 H new ATOM 0 HB3 LEU A 67 1.010 10.573 4.251 1.00 0.25 H new ATOM 0 HG LEU A 67 -0.709 8.944 5.023 1.00 70.44 H new ATOM 0 HD11 LEU A 67 0.012 6.746 5.872 1.00 54.40 H new ATOM 0 HD12 LEU A 67 0.259 6.894 4.116 1.00 54.40 H new ATOM 0 HD13 LEU A 67 1.644 7.037 5.224 1.00 54.40 H new ATOM 0 HD21 LEU A 67 0.152 8.733 7.329 1.00 42.44 H new ATOM 0 HD22 LEU A 67 1.788 9.120 6.747 1.00 42.44 H new ATOM 0 HD23 LEU A 67 0.494 10.337 6.638 1.00 42.44 H new ATOM 1073 N LYS A 68 -1.503 8.282 2.433 1.00 45.43 N ATOM 1074 CA LYS A 68 -2.968 8.366 2.338 1.00 12.22 C ATOM 1075 C LYS A 68 -3.616 8.386 3.725 1.00 43.54 C ATOM 1076 O LYS A 68 -3.398 7.490 4.544 1.00 23.41 O ATOM 1077 CB LYS A 68 -3.548 7.204 1.520 1.00 43.12 C ATOM 1078 CG LYS A 68 -3.379 7.343 0.005 1.00 4.13 C ATOM 1079 CD LYS A 68 -1.914 7.401 -0.416 1.00 2.40 C ATOM 1080 CE LYS A 68 -1.762 7.603 -1.921 1.00 44.32 C ATOM 1081 NZ LYS A 68 -2.458 8.833 -2.398 1.00 33.24 N ATOM 0 H LYS A 68 -1.138 7.331 2.490 1.00 45.43 H new ATOM 0 HA LYS A 68 -3.196 9.301 1.827 1.00 12.22 H new ATOM 0 HB2 LYS A 68 -3.072 6.278 1.842 1.00 43.12 H new ATOM 0 HB3 LYS A 68 -4.610 7.112 1.747 1.00 43.12 H new ATOM 0 HG2 LYS A 68 -3.863 6.501 -0.490 1.00 4.13 H new ATOM 0 HG3 LYS A 68 -3.887 8.246 -0.333 1.00 4.13 H new ATOM 0 HD2 LYS A 68 -1.417 8.215 0.112 1.00 2.40 H new ATOM 0 HD3 LYS A 68 -1.415 6.478 -0.121 1.00 2.40 H new ATOM 0 HE2 LYS A 68 -0.703 7.666 -2.172 1.00 44.32 H new ATOM 0 HE3 LYS A 68 -2.162 6.735 -2.445 1.00 44.32 H new ATOM 0 HZ1 LYS A 68 -2.152 9.051 -3.368 1.00 33.24 H new ATOM 0 HZ2 LYS A 68 -3.486 8.677 -2.387 1.00 33.24 H new ATOM 0 HZ3 LYS A 68 -2.222 9.630 -1.773 1.00 33.24 H new ATOM 1095 N GLU A 69 -4.429 9.406 3.971 1.00 11.12 N ATOM 1096 CA GLU A 69 -5.104 9.584 5.257 1.00 74.51 C ATOM 1097 C GLU A 69 -6.625 9.416 5.109 1.00 25.52 C ATOM 1098 O GLU A 69 -7.380 10.392 5.162 1.00 10.41 O ATOM 1099 CB GLU A 69 -4.779 10.974 5.816 1.00 34.20 C ATOM 1100 CG GLU A 69 -3.291 11.214 6.056 1.00 53.52 C ATOM 1101 CD GLU A 69 -2.988 12.645 6.476 1.00 30.11 C ATOM 1102 OE1 GLU A 69 -3.051 13.548 5.615 1.00 32.13 O ATOM 1103 OE2 GLU A 69 -2.683 12.872 7.671 1.00 52.31 O ATOM 0 H GLU A 69 -4.641 10.133 3.288 1.00 11.12 H new ATOM 0 HA GLU A 69 -4.747 8.820 5.947 1.00 74.51 H new ATOM 0 HB2 GLU A 69 -5.151 11.729 5.124 1.00 34.20 H new ATOM 0 HB3 GLU A 69 -5.315 11.111 6.755 1.00 34.20 H new ATOM 0 HG2 GLU A 69 -2.937 10.530 6.827 1.00 53.52 H new ATOM 0 HG3 GLU A 69 -2.738 10.982 5.146 1.00 53.52 H new ATOM 1110 N PHE A 70 -7.071 8.179 4.899 1.00 51.54 N ATOM 1111 CA PHE A 70 -8.499 7.897 4.695 1.00 64.35 C ATOM 1112 C PHE A 70 -9.150 7.304 5.953 1.00 63.23 C ATOM 1113 O PHE A 70 -8.473 6.950 6.921 1.00 40.43 O ATOM 1114 CB PHE A 70 -8.694 6.945 3.502 1.00 64.21 C ATOM 1115 CG PHE A 70 -8.138 7.471 2.197 1.00 42.51 C ATOM 1116 CD1 PHE A 70 -8.276 8.810 1.853 1.00 33.51 C ATOM 1117 CD2 PHE A 70 -7.484 6.624 1.311 1.00 72.04 C ATOM 1118 CE1 PHE A 70 -7.773 9.289 0.658 1.00 72.40 C ATOM 1119 CE2 PHE A 70 -6.981 7.101 0.116 1.00 52.04 C ATOM 1120 CZ PHE A 70 -7.124 8.435 -0.210 1.00 15.24 C ATOM 0 H PHE A 70 -6.470 7.355 4.865 1.00 51.54 H new ATOM 0 HA PHE A 70 -8.990 8.846 4.482 1.00 64.35 H new ATOM 0 HB2 PHE A 70 -8.218 5.991 3.730 1.00 64.21 H new ATOM 0 HB3 PHE A 70 -9.759 6.748 3.378 1.00 64.21 H new ATOM 0 HD1 PHE A 70 -8.782 9.485 2.527 1.00 33.51 H new ATOM 0 HD2 PHE A 70 -7.367 5.579 1.560 1.00 72.04 H new ATOM 0 HE1 PHE A 70 -7.888 10.332 0.404 1.00 72.40 H new ATOM 0 HE2 PHE A 70 -6.476 6.430 -0.563 1.00 52.04 H new ATOM 0 HZ PHE A 70 -6.729 8.809 -1.143 1.00 15.24 H new ATOM 1130 N ASP A 71 -10.477 7.207 5.921 1.00 50.54 N ATOM 1131 CA ASP A 71 -11.262 6.693 7.049 1.00 74.31 C ATOM 1132 C ASP A 71 -11.595 5.193 6.871 1.00 15.34 C ATOM 1133 O ASP A 71 -11.403 4.629 5.792 1.00 50.11 O ATOM 1134 CB ASP A 71 -12.546 7.524 7.184 1.00 70.23 C ATOM 1135 CG ASP A 71 -13.381 7.132 8.389 1.00 2.43 C ATOM 1136 OD1 ASP A 71 -12.814 7.003 9.491 1.00 71.25 O ATOM 1137 OD2 ASP A 71 -14.606 6.957 8.240 1.00 73.11 O ATOM 0 H ASP A 71 -11.041 7.481 5.116 1.00 50.54 H new ATOM 0 HA ASP A 71 -10.671 6.783 7.960 1.00 74.31 H new ATOM 0 HB2 ASP A 71 -12.283 8.579 7.258 1.00 70.23 H new ATOM 0 HB3 ASP A 71 -13.145 7.408 6.280 1.00 70.23 H new ATOM 1142 N TYR A 72 -12.093 4.557 7.933 1.00 34.24 N ATOM 1143 CA TYR A 72 -12.442 3.129 7.898 1.00 23.40 C ATOM 1144 C TYR A 72 -13.624 2.850 6.947 1.00 62.21 C ATOM 1145 O TYR A 72 -14.658 3.514 7.012 1.00 44.42 O ATOM 1146 CB TYR A 72 -12.771 2.637 9.316 1.00 13.15 C ATOM 1147 CG TYR A 72 -13.125 1.163 9.398 1.00 1.40 C ATOM 1148 CD1 TYR A 72 -12.182 0.185 9.099 1.00 33.01 C ATOM 1149 CD2 TYR A 72 -14.399 0.750 9.774 1.00 4.12 C ATOM 1150 CE1 TYR A 72 -12.499 -1.158 9.173 1.00 13.41 C ATOM 1151 CE2 TYR A 72 -14.721 -0.591 9.852 1.00 0.04 C ATOM 1152 CZ TYR A 72 -13.769 -1.540 9.548 1.00 34.32 C ATOM 1153 OH TYR A 72 -14.090 -2.878 9.625 1.00 71.13 O ATOM 0 H TYR A 72 -12.265 5.007 8.832 1.00 34.24 H new ATOM 0 HA TYR A 72 -11.580 2.583 7.515 1.00 23.40 H new ATOM 0 HB2 TYR A 72 -11.915 2.830 9.963 1.00 13.15 H new ATOM 0 HB3 TYR A 72 -13.604 3.221 9.707 1.00 13.15 H new ATOM 0 HD1 TYR A 72 -11.186 0.480 8.804 1.00 33.01 H new ATOM 0 HD2 TYR A 72 -15.149 1.491 10.009 1.00 4.12 H new ATOM 0 HE1 TYR A 72 -11.755 -1.905 8.938 1.00 13.41 H new ATOM 0 HE2 TYR A 72 -15.714 -0.894 10.150 1.00 0.04 H new ATOM 0 HH TYR A 72 -15.024 -2.975 9.905 1.00 71.13 H new ATOM 1163 N ASN A 73 -13.453 1.857 6.070 1.00 52.41 N ATOM 1164 CA ASN A 73 -14.456 1.498 5.050 1.00 3.32 C ATOM 1165 C ASN A 73 -14.717 2.647 4.061 1.00 23.13 C ATOM 1166 O ASN A 73 -15.755 2.678 3.397 1.00 71.31 O ATOM 1167 CB ASN A 73 -15.774 1.043 5.699 1.00 64.40 C ATOM 1168 CG ASN A 73 -15.662 -0.324 6.348 1.00 53.23 C ATOM 1169 OD1 ASN A 73 -14.840 -1.147 5.953 1.00 3.44 O ATOM 1170 ND2 ASN A 73 -16.493 -0.588 7.331 1.00 41.24 N ATOM 0 H ASN A 73 -12.616 1.275 6.043 1.00 52.41 H new ATOM 0 HA ASN A 73 -14.040 0.664 4.485 1.00 3.32 H new ATOM 0 HB2 ASN A 73 -16.077 1.774 6.449 1.00 64.40 H new ATOM 0 HB3 ASN A 73 -16.558 1.019 4.942 1.00 64.40 H new ATOM 0 HD21 ASN A 73 -16.467 -1.499 7.790 1.00 41.24 H new ATOM 0 HD22 ASN A 73 -17.164 0.118 7.635 1.00 41.24 H new ATOM 1177 N ALA A 74 -13.764 3.569 3.943 1.00 41.22 N ATOM 1178 CA ALA A 74 -13.885 4.678 2.990 1.00 70.12 C ATOM 1179 C ALA A 74 -13.758 4.178 1.543 1.00 12.20 C ATOM 1180 O ALA A 74 -12.804 3.474 1.203 1.00 23.41 O ATOM 1181 CB ALA A 74 -12.837 5.748 3.276 1.00 41.24 C ATOM 0 H ALA A 74 -12.903 3.574 4.490 1.00 41.22 H new ATOM 0 HA ALA A 74 -14.875 5.119 3.112 1.00 70.12 H new ATOM 0 HB1 ALA A 74 -12.943 6.562 2.559 1.00 41.24 H new ATOM 0 HB2 ALA A 74 -12.977 6.134 4.286 1.00 41.24 H new ATOM 0 HB3 ALA A 74 -11.841 5.314 3.188 1.00 41.24 H new ATOM 1187 N ARG A 75 -14.723 4.534 0.698 1.00 64.12 N ATOM 1188 CA ARG A 75 -14.702 4.129 -0.711 1.00 73.02 C ATOM 1189 C ARG A 75 -13.474 4.696 -1.445 1.00 52.14 C ATOM 1190 O ARG A 75 -13.320 5.912 -1.585 1.00 33.34 O ATOM 1191 CB ARG A 75 -15.992 4.575 -1.414 1.00 13.12 C ATOM 1192 CG ARG A 75 -17.253 3.924 -0.850 1.00 51.22 C ATOM 1193 CD ARG A 75 -18.514 4.444 -1.531 1.00 32.02 C ATOM 1194 NE ARG A 75 -18.659 5.893 -1.381 1.00 25.32 N ATOM 1195 CZ ARG A 75 -19.199 6.474 -0.344 1.00 23.14 C ATOM 1196 NH1 ARG A 75 -19.612 5.773 0.661 1.00 75.24 N ATOM 1197 NH2 ARG A 75 -19.309 7.760 -0.312 1.00 3.54 N ATOM 0 H ARG A 75 -15.529 5.101 0.961 1.00 64.12 H new ATOM 0 HA ARG A 75 -14.636 3.041 -0.741 1.00 73.02 H new ATOM 0 HB2 ARG A 75 -16.085 5.658 -1.332 1.00 13.12 H new ATOM 0 HB3 ARG A 75 -15.916 4.341 -2.476 1.00 13.12 H new ATOM 0 HG2 ARG A 75 -17.191 2.843 -0.977 1.00 51.22 H new ATOM 0 HG3 ARG A 75 -17.313 4.117 0.221 1.00 51.22 H new ATOM 0 HD2 ARG A 75 -18.485 4.190 -2.591 1.00 32.02 H new ATOM 0 HD3 ARG A 75 -19.386 3.946 -1.108 1.00 32.02 H new ATOM 0 HE ARG A 75 -18.316 6.487 -2.136 1.00 25.32 H new ATOM 0 HH11 ARG A 75 -19.517 4.758 0.648 1.00 75.24 H new ATOM 0 HH12 ARG A 75 -20.033 6.236 1.467 1.00 75.24 H new ATOM 0 HH21 ARG A 75 -18.974 8.320 -1.096 1.00 3.54 H new ATOM 0 HH22 ARG A 75 -19.731 8.216 0.497 1.00 3.54 H new ATOM 1211 N VAL A 76 -12.605 3.800 -1.911 1.00 63.12 N ATOM 1212 CA VAL A 76 -11.382 4.184 -2.624 1.00 71.55 C ATOM 1213 C VAL A 76 -11.236 3.432 -3.959 1.00 65.23 C ATOM 1214 O VAL A 76 -11.756 2.327 -4.126 1.00 20.14 O ATOM 1215 CB VAL A 76 -10.118 3.918 -1.761 1.00 73.33 C ATOM 1216 CG1 VAL A 76 -10.106 4.805 -0.516 1.00 22.44 C ATOM 1217 CG2 VAL A 76 -10.028 2.442 -1.372 1.00 53.34 C ATOM 0 H VAL A 76 -12.725 2.792 -1.807 1.00 63.12 H new ATOM 0 HA VAL A 76 -11.469 5.252 -2.826 1.00 71.55 H new ATOM 0 HB VAL A 76 -9.244 4.168 -2.362 1.00 73.33 H new ATOM 0 HG11 VAL A 76 -9.210 4.598 0.070 1.00 22.44 H new ATOM 0 HG12 VAL A 76 -10.109 5.853 -0.816 1.00 22.44 H new ATOM 0 HG13 VAL A 76 -10.990 4.597 0.087 1.00 22.44 H new ATOM 0 HG21 VAL A 76 -9.135 2.279 -0.768 1.00 53.34 H new ATOM 0 HG22 VAL A 76 -10.911 2.163 -0.797 1.00 53.34 H new ATOM 0 HG23 VAL A 76 -9.973 1.831 -2.273 1.00 53.34 H new ATOM 1227 N GLU A 77 -10.540 4.046 -4.911 1.00 73.12 N ATOM 1228 CA GLU A 77 -10.212 3.392 -6.183 1.00 51.20 C ATOM 1229 C GLU A 77 -8.748 3.662 -6.564 1.00 53.31 C ATOM 1230 O GLU A 77 -8.166 4.676 -6.175 1.00 70.13 O ATOM 1231 CB GLU A 77 -11.174 3.834 -7.305 1.00 5.30 C ATOM 1232 CG GLU A 77 -11.154 5.325 -7.629 1.00 43.30 C ATOM 1233 CD GLU A 77 -12.106 5.675 -8.770 1.00 31.22 C ATOM 1234 OE1 GLU A 77 -11.728 5.479 -9.948 1.00 45.25 O ATOM 1235 OE2 GLU A 77 -13.246 6.118 -8.492 1.00 34.24 O ATOM 0 H GLU A 77 -10.189 5.000 -4.829 1.00 73.12 H new ATOM 0 HA GLU A 77 -10.337 2.317 -6.055 1.00 51.20 H new ATOM 0 HB2 GLU A 77 -10.930 3.279 -8.211 1.00 5.30 H new ATOM 0 HB3 GLU A 77 -12.189 3.554 -7.023 1.00 5.30 H new ATOM 0 HG2 GLU A 77 -11.429 5.893 -6.740 1.00 43.30 H new ATOM 0 HG3 GLU A 77 -10.141 5.624 -7.897 1.00 43.30 H new ATOM 1242 N LEU A 78 -8.151 2.744 -7.319 1.00 22.11 N ATOM 1243 CA LEU A 78 -6.709 2.780 -7.588 1.00 51.44 C ATOM 1244 C LEU A 78 -6.363 3.411 -8.945 1.00 34.51 C ATOM 1245 O LEU A 78 -7.085 3.257 -9.933 1.00 53.11 O ATOM 1246 CB LEU A 78 -6.132 1.361 -7.524 1.00 60.11 C ATOM 1247 CG LEU A 78 -6.236 0.674 -6.155 1.00 2.04 C ATOM 1248 CD1 LEU A 78 -5.666 -0.744 -6.214 1.00 5.04 C ATOM 1249 CD2 LEU A 78 -5.525 1.506 -5.087 1.00 24.54 C ATOM 0 H LEU A 78 -8.640 1.964 -7.758 1.00 22.11 H new ATOM 0 HA LEU A 78 -6.263 3.410 -6.818 1.00 51.44 H new ATOM 0 HB2 LEU A 78 -6.645 0.744 -8.262 1.00 60.11 H new ATOM 0 HB3 LEU A 78 -5.082 1.399 -7.814 1.00 60.11 H new ATOM 0 HG LEU A 78 -7.289 0.599 -5.885 1.00 2.04 H new ATOM 0 HD11 LEU A 78 -5.750 -1.211 -5.233 1.00 5.04 H new ATOM 0 HD12 LEU A 78 -6.224 -1.330 -6.944 1.00 5.04 H new ATOM 0 HD13 LEU A 78 -4.617 -0.703 -6.507 1.00 5.04 H new ATOM 0 HD21 LEU A 78 -5.607 1.006 -4.122 1.00 24.54 H new ATOM 0 HD22 LEU A 78 -4.473 1.614 -5.351 1.00 24.54 H new ATOM 0 HD23 LEU A 78 -5.987 2.491 -5.026 1.00 24.54 H new ATOM 1261 N ILE A 79 -5.239 4.118 -8.974 1.00 41.41 N ATOM 1262 CA ILE A 79 -4.692 4.683 -10.206 1.00 75.44 C ATOM 1263 C ILE A 79 -3.688 3.700 -10.847 1.00 74.41 C ATOM 1264 O ILE A 79 -2.634 3.419 -10.274 1.00 74.20 O ATOM 1265 CB ILE A 79 -3.994 6.042 -9.926 1.00 34.14 C ATOM 1266 CG1 ILE A 79 -4.967 7.022 -9.239 1.00 21.13 C ATOM 1267 CG2 ILE A 79 -3.435 6.650 -11.209 1.00 1.13 C ATOM 1268 CD1 ILE A 79 -6.201 7.354 -10.054 1.00 33.24 C ATOM 0 H ILE A 79 -4.680 4.317 -8.145 1.00 41.41 H new ATOM 0 HA ILE A 79 -5.517 4.852 -10.898 1.00 75.44 H new ATOM 0 HB ILE A 79 -3.158 5.856 -9.252 1.00 34.14 H new ATOM 0 HG12 ILE A 79 -5.280 6.596 -8.286 1.00 21.13 H new ATOM 0 HG13 ILE A 79 -4.435 7.946 -9.015 1.00 21.13 H new ATOM 0 HG21 ILE A 79 -2.952 7.600 -10.981 1.00 1.13 H new ATOM 0 HG22 ILE A 79 -2.706 5.969 -11.647 1.00 1.13 H new ATOM 0 HG23 ILE A 79 -4.247 6.816 -11.917 1.00 1.13 H new ATOM 0 HD11 ILE A 79 -6.829 8.048 -9.496 1.00 33.24 H new ATOM 0 HD12 ILE A 79 -5.902 7.812 -10.997 1.00 33.24 H new ATOM 0 HD13 ILE A 79 -6.760 6.441 -10.256 1.00 33.24 H new ATOM 1280 N ASN A 80 -4.042 3.172 -12.022 1.00 53.55 N ATOM 1281 CA ASN A 80 -3.236 2.152 -12.729 1.00 21.00 C ATOM 1282 C ASN A 80 -2.802 0.988 -11.808 1.00 3.04 C ATOM 1283 O ASN A 80 -1.618 0.838 -11.489 1.00 1.00 O ATOM 1284 CB ASN A 80 -2.005 2.784 -13.400 1.00 23.01 C ATOM 1285 CG ASN A 80 -2.380 3.845 -14.411 1.00 71.24 C ATOM 1286 OD1 ASN A 80 -2.313 5.094 -14.008 1.00 24.32 O flip ATOM 1287 ND2 ASN A 80 -2.695 3.552 -15.559 1.00 41.23 N flip ATOM 0 H ASN A 80 -4.895 3.435 -12.517 1.00 53.55 H new ATOM 0 HA ASN A 80 -3.884 1.732 -13.498 1.00 21.00 H new ATOM 0 HB2 ASN A 80 -1.364 3.224 -12.636 1.00 23.01 H new ATOM 0 HB3 ASN A 80 -1.424 2.005 -13.893 1.00 23.01 H new ATOM 0 HD21 ASN A 80 -2.738 2.573 -15.842 1.00 41.23 H new ATOM 0 HD22 ASN A 80 -2.914 4.287 -16.231 1.00 41.23 H new ATOM 1294 N PRO A 81 -3.769 0.163 -11.347 1.00 71.42 N ATOM 1295 CA PRO A 81 -3.482 -1.020 -10.515 1.00 63.42 C ATOM 1296 C PRO A 81 -3.040 -2.252 -11.332 1.00 33.52 C ATOM 1297 O PRO A 81 -3.503 -2.468 -12.455 1.00 43.44 O ATOM 1298 CB PRO A 81 -4.828 -1.281 -9.837 1.00 63.43 C ATOM 1299 CG PRO A 81 -5.844 -0.837 -10.840 1.00 71.42 C ATOM 1300 CD PRO A 81 -5.221 0.319 -11.593 1.00 35.25 C ATOM 0 HA PRO A 81 -2.652 -0.844 -9.830 1.00 63.42 H new ATOM 0 HB2 PRO A 81 -4.950 -2.335 -9.589 1.00 63.43 H new ATOM 0 HB3 PRO A 81 -4.919 -0.722 -8.906 1.00 63.43 H new ATOM 0 HG2 PRO A 81 -6.101 -1.650 -11.519 1.00 71.42 H new ATOM 0 HG3 PRO A 81 -6.767 -0.529 -10.348 1.00 71.42 H new ATOM 0 HD2 PRO A 81 -5.453 0.274 -12.657 1.00 35.25 H new ATOM 0 HD3 PRO A 81 -5.587 1.278 -11.227 1.00 35.25 H new ATOM 1308 N ILE A 82 -2.149 -3.060 -10.753 1.00 13.02 N ATOM 1309 CA ILE A 82 -1.691 -4.313 -11.375 1.00 72.43 C ATOM 1310 C ILE A 82 -1.628 -5.449 -10.343 1.00 61.20 C ATOM 1311 O ILE A 82 -1.228 -5.236 -9.196 1.00 1.33 O ATOM 1312 CB ILE A 82 -0.281 -4.167 -12.016 1.00 32.03 C ATOM 1313 CG1 ILE A 82 0.767 -3.791 -10.948 1.00 21.44 C ATOM 1314 CG2 ILE A 82 -0.300 -3.137 -13.143 1.00 72.52 C ATOM 1315 CD1 ILE A 82 2.201 -3.858 -11.435 1.00 4.40 C ATOM 0 H ILE A 82 -1.724 -2.870 -9.845 1.00 13.02 H new ATOM 0 HA ILE A 82 -2.417 -4.548 -12.154 1.00 72.43 H new ATOM 0 HB ILE A 82 -0.001 -5.130 -12.444 1.00 32.03 H new ATOM 0 HG12 ILE A 82 0.562 -2.781 -10.594 1.00 21.44 H new ATOM 0 HG13 ILE A 82 0.654 -4.458 -10.093 1.00 21.44 H new ATOM 0 HG21 ILE A 82 0.697 -3.053 -13.576 1.00 72.52 H new ATOM 0 HG22 ILE A 82 -1.004 -3.453 -13.913 1.00 72.52 H new ATOM 0 HG23 ILE A 82 -0.607 -2.169 -12.746 1.00 72.52 H new ATOM 0 HD11 ILE A 82 2.874 -3.579 -10.624 1.00 4.40 H new ATOM 0 HD12 ILE A 82 2.427 -4.873 -11.762 1.00 4.40 H new ATOM 0 HD13 ILE A 82 2.334 -3.170 -12.270 1.00 4.40 H new ATOM 1327 N ALA A 83 -2.018 -6.656 -10.745 1.00 61.32 N ATOM 1328 CA ALA A 83 -1.884 -7.831 -9.880 1.00 42.54 C ATOM 1329 C ALA A 83 -0.406 -8.221 -9.718 1.00 44.11 C ATOM 1330 O ALA A 83 0.300 -8.437 -10.709 1.00 5.42 O ATOM 1331 CB ALA A 83 -2.692 -8.997 -10.440 1.00 42.11 C ATOM 0 H ALA A 83 -2.428 -6.848 -11.659 1.00 61.32 H new ATOM 0 HA ALA A 83 -2.277 -7.581 -8.895 1.00 42.54 H new ATOM 0 HB1 ALA A 83 -2.583 -9.863 -9.787 1.00 42.11 H new ATOM 0 HB2 ALA A 83 -3.744 -8.716 -10.498 1.00 42.11 H new ATOM 0 HB3 ALA A 83 -2.328 -9.246 -11.437 1.00 42.11 H new ATOM 1337 N ASP A 84 0.060 -8.310 -8.471 1.00 33.54 N ATOM 1338 CA ASP A 84 1.474 -8.577 -8.187 1.00 3.22 C ATOM 1339 C ASP A 84 1.892 -9.971 -8.694 1.00 14.51 C ATOM 1340 O ASP A 84 1.558 -10.999 -8.100 1.00 14.43 O ATOM 1341 CB ASP A 84 1.736 -8.443 -6.681 1.00 11.50 C ATOM 1342 CG ASP A 84 3.214 -8.338 -6.338 1.00 14.02 C ATOM 1343 OD1 ASP A 84 4.011 -9.149 -6.848 1.00 32.32 O ATOM 1344 OD2 ASP A 84 3.583 -7.442 -5.550 1.00 12.24 O ATOM 0 H ASP A 84 -0.521 -8.201 -7.640 1.00 33.54 H new ATOM 0 HA ASP A 84 2.078 -7.842 -8.718 1.00 3.22 H new ATOM 0 HB2 ASP A 84 1.219 -7.560 -6.306 1.00 11.50 H new ATOM 0 HB3 ASP A 84 1.310 -9.304 -6.166 1.00 11.50 H new ATOM 1522 N TRP A 98 -2.986 -12.402 -1.988 1.00 75.53 N ATOM 1523 CA TRP A 98 -2.534 -11.665 -3.181 1.00 23.45 C ATOM 1524 C TRP A 98 -2.442 -10.139 -2.969 1.00 12.42 C ATOM 1525 O TRP A 98 -3.258 -9.516 -2.273 1.00 71.30 O ATOM 1526 CB TRP A 98 -3.408 -11.998 -4.403 1.00 71.43 C ATOM 1527 CG TRP A 98 -4.810 -11.451 -4.370 1.00 70.43 C ATOM 1528 CD1 TRP A 98 -5.694 -11.490 -3.330 1.00 23.42 C ATOM 1529 CD2 TRP A 98 -5.494 -10.807 -5.452 1.00 63.30 C ATOM 1530 NE1 TRP A 98 -6.880 -10.904 -3.697 1.00 43.54 N ATOM 1531 CE2 TRP A 98 -6.784 -10.479 -4.997 1.00 75.12 C ATOM 1532 CE3 TRP A 98 -5.138 -10.481 -6.766 1.00 53.11 C ATOM 1533 CZ2 TRP A 98 -7.718 -9.837 -5.807 1.00 2.42 C ATOM 1534 CZ3 TRP A 98 -6.065 -9.841 -7.568 1.00 65.31 C ATOM 1535 CH2 TRP A 98 -7.341 -9.523 -7.085 1.00 34.14 C ATOM 0 HA TRP A 98 -1.516 -12.005 -3.372 1.00 23.45 H new ATOM 0 HB2 TRP A 98 -2.911 -11.620 -5.296 1.00 71.43 H new ATOM 0 HB3 TRP A 98 -3.463 -13.082 -4.503 1.00 71.43 H new ATOM 0 HD1 TRP A 98 -5.490 -11.919 -2.360 1.00 23.42 H new ATOM 0 HE1 TRP A 98 -7.700 -10.801 -3.099 1.00 43.54 H new ATOM 0 HE3 TRP A 98 -4.157 -10.725 -7.146 1.00 53.11 H new ATOM 0 HZ2 TRP A 98 -8.705 -9.596 -5.440 1.00 2.42 H new ATOM 0 HZ3 TRP A 98 -5.801 -9.582 -8.583 1.00 65.31 H new ATOM 0 HH2 TRP A 98 -8.042 -9.020 -7.734 1.00 34.14 H new ATOM 1546 N TYR A 99 -1.412 -9.552 -3.579 1.00 34.04 N ATOM 1547 CA TYR A 99 -1.174 -8.109 -3.531 1.00 65.40 C ATOM 1548 C TYR A 99 -1.501 -7.445 -4.880 1.00 44.02 C ATOM 1549 O TYR A 99 -1.349 -8.056 -5.940 1.00 64.45 O ATOM 1550 CB TYR A 99 0.297 -7.825 -3.166 1.00 51.34 C ATOM 1551 CG TYR A 99 0.678 -8.207 -1.741 1.00 4.13 C ATOM 1552 CD1 TYR A 99 0.850 -9.539 -1.371 1.00 65.13 C ATOM 1553 CD2 TYR A 99 0.873 -7.231 -0.767 1.00 31.41 C ATOM 1554 CE1 TYR A 99 1.193 -9.883 -0.074 1.00 25.25 C ATOM 1555 CE2 TYR A 99 1.218 -7.569 0.529 1.00 61.13 C ATOM 1556 CZ TYR A 99 1.379 -8.895 0.870 1.00 22.12 C ATOM 1557 OH TYR A 99 1.714 -9.234 2.163 1.00 40.20 O ATOM 0 H TYR A 99 -0.717 -10.065 -4.122 1.00 34.04 H new ATOM 0 HA TYR A 99 -1.830 -7.689 -2.768 1.00 65.40 H new ATOM 0 HB2 TYR A 99 0.941 -8.366 -3.859 1.00 51.34 H new ATOM 0 HB3 TYR A 99 0.496 -6.763 -3.310 1.00 51.34 H new ATOM 0 HD1 TYR A 99 0.714 -10.317 -2.108 1.00 65.13 H new ATOM 0 HD2 TYR A 99 0.753 -6.190 -1.029 1.00 31.41 H new ATOM 0 HE1 TYR A 99 1.314 -10.921 0.197 1.00 25.25 H new ATOM 0 HE2 TYR A 99 1.361 -6.797 1.271 1.00 61.13 H new ATOM 0 HH TYR A 99 0.921 -9.165 2.735 1.00 40.20 H new ATOM 1567 N ILE A 100 -1.955 -6.196 -4.835 1.00 50.11 N ATOM 1568 CA ILE A 100 -2.189 -5.409 -6.048 1.00 24.21 C ATOM 1569 C ILE A 100 -1.384 -4.101 -5.991 1.00 5.51 C ATOM 1570 O ILE A 100 -1.635 -3.244 -5.146 1.00 31.21 O ATOM 1571 CB ILE A 100 -3.696 -5.085 -6.242 1.00 32.31 C ATOM 1572 CG1 ILE A 100 -4.535 -6.378 -6.214 1.00 23.40 C ATOM 1573 CG2 ILE A 100 -3.921 -4.333 -7.556 1.00 2.01 C ATOM 1574 CD1 ILE A 100 -6.014 -6.154 -6.456 1.00 11.41 C ATOM 0 H ILE A 100 -2.170 -5.703 -3.969 1.00 50.11 H new ATOM 0 HA ILE A 100 -1.860 -6.008 -6.897 1.00 24.21 H new ATOM 0 HB ILE A 100 -4.017 -4.446 -5.419 1.00 32.31 H new ATOM 0 HG12 ILE A 100 -4.153 -7.064 -6.970 1.00 23.40 H new ATOM 0 HG13 ILE A 100 -4.404 -6.864 -5.247 1.00 23.40 H new ATOM 0 HG21 ILE A 100 -4.983 -4.115 -7.673 1.00 2.01 H new ATOM 0 HG22 ILE A 100 -3.359 -3.399 -7.542 1.00 2.01 H new ATOM 0 HG23 ILE A 100 -3.582 -4.948 -8.390 1.00 2.01 H new ATOM 0 HD11 ILE A 100 -6.537 -7.110 -6.421 1.00 11.41 H new ATOM 0 HD12 ILE A 100 -6.413 -5.494 -5.686 1.00 11.41 H new ATOM 0 HD13 ILE A 100 -6.157 -5.697 -7.435 1.00 11.41 H new ATOM 1586 N LYS A 101 -0.403 -3.959 -6.873 1.00 54.44 N ATOM 1587 CA LYS A 101 0.461 -2.772 -6.875 1.00 2.02 C ATOM 1588 C LYS A 101 -0.181 -1.635 -7.683 1.00 32.32 C ATOM 1589 O LYS A 101 -0.654 -1.848 -8.796 1.00 12.24 O ATOM 1590 CB LYS A 101 1.843 -3.124 -7.450 1.00 4.00 C ATOM 1591 CG LYS A 101 2.441 -4.404 -6.867 1.00 2.34 C ATOM 1592 CD LYS A 101 3.840 -4.685 -7.413 1.00 35.03 C ATOM 1593 CE LYS A 101 4.885 -3.751 -6.811 1.00 21.21 C ATOM 1594 NZ LYS A 101 5.076 -3.997 -5.357 1.00 34.45 N ATOM 0 H LYS A 101 -0.182 -4.644 -7.595 1.00 54.44 H new ATOM 0 HA LYS A 101 0.584 -2.432 -5.847 1.00 2.02 H new ATOM 0 HB2 LYS A 101 1.760 -3.231 -8.532 1.00 4.00 H new ATOM 0 HB3 LYS A 101 2.527 -2.296 -7.263 1.00 4.00 H new ATOM 0 HG2 LYS A 101 2.486 -4.321 -5.781 1.00 2.34 H new ATOM 0 HG3 LYS A 101 1.787 -5.246 -7.095 1.00 2.34 H new ATOM 0 HD2 LYS A 101 4.112 -5.719 -7.200 1.00 35.03 H new ATOM 0 HD3 LYS A 101 3.835 -4.574 -8.497 1.00 35.03 H new ATOM 0 HE2 LYS A 101 5.834 -3.886 -7.330 1.00 21.21 H new ATOM 0 HE3 LYS A 101 4.580 -2.716 -6.967 1.00 21.21 H new ATOM 0 HZ1 LYS A 101 4.833 -3.137 -4.825 1.00 34.45 H new ATOM 0 HZ2 LYS A 101 4.460 -4.778 -5.053 1.00 34.45 H new ATOM 0 HZ3 LYS A 101 6.069 -4.248 -5.175 1.00 34.45 H new ATOM 1608 N ALA A 102 -0.200 -0.427 -7.126 1.00 72.41 N ATOM 1609 CA ALA A 102 -0.879 0.702 -7.775 1.00 41.34 C ATOM 1610 C ALA A 102 0.035 1.924 -7.924 1.00 11.41 C ATOM 1611 O ALA A 102 0.946 2.138 -7.124 1.00 72.53 O ATOM 1612 CB ALA A 102 -2.132 1.075 -6.993 1.00 54.50 C ATOM 0 H ALA A 102 0.241 -0.201 -6.235 1.00 72.41 H new ATOM 0 HA ALA A 102 -1.155 0.382 -8.780 1.00 41.34 H new ATOM 0 HB1 ALA A 102 -2.629 1.913 -7.481 1.00 54.50 H new ATOM 0 HB2 ALA A 102 -2.808 0.221 -6.960 1.00 54.50 H new ATOM 0 HB3 ALA A 102 -1.856 1.358 -5.977 1.00 54.50 H new ATOM 1618 N ASP A 103 -0.223 2.725 -8.955 1.00 53.30 N ATOM 1619 CA ASP A 103 0.516 3.968 -9.178 1.00 23.12 C ATOM 1620 C ASP A 103 0.134 5.028 -8.125 1.00 71.54 C ATOM 1621 O ASP A 103 0.955 5.866 -7.738 1.00 53.35 O ATOM 1622 CB ASP A 103 0.238 4.478 -10.598 1.00 1.34 C ATOM 1623 CG ASP A 103 1.016 5.730 -10.945 1.00 23.45 C ATOM 1624 OD1 ASP A 103 2.247 5.748 -10.739 1.00 14.23 O ATOM 1625 OD2 ASP A 103 0.409 6.694 -11.451 1.00 41.51 O ATOM 0 H ASP A 103 -0.942 2.535 -9.653 1.00 53.30 H new ATOM 0 HA ASP A 103 1.584 3.773 -9.075 1.00 23.12 H new ATOM 0 HB2 ASP A 103 0.486 3.694 -11.314 1.00 1.34 H new ATOM 0 HB3 ASP A 103 -0.828 4.680 -10.702 1.00 1.34 H new ATOM 1630 N ASP A 104 -1.118 4.971 -7.664 1.00 3.32 N ATOM 1631 CA ASP A 104 -1.611 5.871 -6.610 1.00 75.23 C ATOM 1632 C ASP A 104 -2.963 5.390 -6.046 1.00 64.24 C ATOM 1633 O ASP A 104 -3.661 4.587 -6.669 1.00 21.20 O ATOM 1634 CB ASP A 104 -1.730 7.308 -7.150 1.00 52.34 C ATOM 1635 CG ASP A 104 -2.207 8.295 -6.097 1.00 32.03 C ATOM 1636 OD1 ASP A 104 -1.700 8.245 -4.957 1.00 72.15 O ATOM 1637 OD2 ASP A 104 -3.092 9.118 -6.396 1.00 33.54 O ATOM 0 H ASP A 104 -1.815 4.308 -8.004 1.00 3.32 H new ATOM 0 HA ASP A 104 -0.890 5.860 -5.793 1.00 75.23 H new ATOM 0 HB2 ASP A 104 -0.761 7.630 -7.530 1.00 52.34 H new ATOM 0 HB3 ASP A 104 -2.422 7.319 -7.992 1.00 52.34 H new ATOM 1642 N ILE A 105 -3.316 5.879 -4.856 1.00 1.34 N ATOM 1643 CA ILE A 105 -4.575 5.509 -4.190 1.00 11.33 C ATOM 1644 C ILE A 105 -5.427 6.751 -3.884 1.00 4.31 C ATOM 1645 O ILE A 105 -5.021 7.615 -3.098 1.00 74.30 O ATOM 1646 CB ILE A 105 -4.314 4.746 -2.859 1.00 12.33 C ATOM 1647 CG1 ILE A 105 -3.407 3.528 -3.103 1.00 61.44 C ATOM 1648 CG2 ILE A 105 -5.635 4.318 -2.211 1.00 22.01 C ATOM 1649 CD1 ILE A 105 -3.134 2.703 -1.858 1.00 24.24 C ATOM 0 H ILE A 105 -2.745 6.538 -4.327 1.00 1.34 H new ATOM 0 HA ILE A 105 -5.112 4.857 -4.879 1.00 11.33 H new ATOM 0 HB ILE A 105 -3.803 5.421 -2.172 1.00 12.33 H new ATOM 0 HG12 ILE A 105 -3.869 2.889 -3.856 1.00 61.44 H new ATOM 0 HG13 ILE A 105 -2.458 3.871 -3.515 1.00 61.44 H new ATOM 0 HG21 ILE A 105 -5.429 3.786 -1.282 1.00 22.01 H new ATOM 0 HG22 ILE A 105 -6.238 5.200 -1.998 1.00 22.01 H new ATOM 0 HG23 ILE A 105 -6.178 3.662 -2.891 1.00 22.01 H new ATOM 0 HD11 ILE A 105 -2.488 1.863 -2.113 1.00 24.24 H new ATOM 0 HD12 ILE A 105 -2.643 3.325 -1.110 1.00 24.24 H new ATOM 0 HD13 ILE A 105 -4.075 2.328 -1.457 1.00 24.24 H new ATOM 1661 N VAL A 106 -6.610 6.830 -4.495 1.00 73.02 N ATOM 1662 CA VAL A 106 -7.528 7.959 -4.285 1.00 52.21 C ATOM 1663 C VAL A 106 -8.911 7.480 -3.815 1.00 5.13 C ATOM 1664 O VAL A 106 -9.195 6.283 -3.804 1.00 41.45 O ATOM 1665 CB VAL A 106 -7.702 8.795 -5.581 1.00 51.45 C ATOM 1666 CG1 VAL A 106 -6.373 9.402 -6.023 1.00 70.21 C ATOM 1667 CG2 VAL A 106 -8.310 7.949 -6.701 1.00 35.24 C ATOM 0 H VAL A 106 -6.959 6.124 -5.143 1.00 73.02 H new ATOM 0 HA VAL A 106 -7.082 8.582 -3.510 1.00 52.21 H new ATOM 0 HB VAL A 106 -8.390 9.611 -5.361 1.00 51.45 H new ATOM 0 HG11 VAL A 106 -6.523 9.983 -6.933 1.00 70.21 H new ATOM 0 HG12 VAL A 106 -5.991 10.053 -5.236 1.00 70.21 H new ATOM 0 HG13 VAL A 106 -5.655 8.605 -6.215 1.00 70.21 H new ATOM 0 HG21 VAL A 106 -8.421 8.558 -7.598 1.00 35.24 H new ATOM 0 HG22 VAL A 106 -7.655 7.104 -6.915 1.00 35.24 H new ATOM 0 HG23 VAL A 106 -9.287 7.581 -6.389 1.00 35.24 H new ATOM 1677 N LEU A 107 -9.763 8.422 -3.424 1.00 11.24 N ATOM 1678 CA LEU A 107 -11.148 8.109 -3.056 1.00 45.54 C ATOM 1679 C LEU A 107 -11.998 7.839 -4.308 1.00 33.04 C ATOM 1680 O LEU A 107 -11.787 8.452 -5.354 1.00 11.32 O ATOM 1681 CB LEU A 107 -11.764 9.266 -2.251 1.00 33.13 C ATOM 1682 CG LEU A 107 -11.149 9.512 -0.865 1.00 23.24 C ATOM 1683 CD1 LEU A 107 -11.729 10.778 -0.237 1.00 24.43 C ATOM 1684 CD2 LEU A 107 -11.376 8.308 0.045 1.00 63.51 C ATOM 0 H LEU A 107 -9.523 9.411 -3.352 1.00 11.24 H new ATOM 0 HA LEU A 107 -11.138 7.210 -2.439 1.00 45.54 H new ATOM 0 HB2 LEU A 107 -11.673 10.181 -2.836 1.00 33.13 H new ATOM 0 HB3 LEU A 107 -12.829 9.072 -2.127 1.00 33.13 H new ATOM 0 HG LEU A 107 -10.075 9.651 -0.987 1.00 23.24 H new ATOM 0 HD11 LEU A 107 -11.281 10.935 0.744 1.00 24.43 H new ATOM 0 HD12 LEU A 107 -11.512 11.634 -0.876 1.00 24.43 H new ATOM 0 HD13 LEU A 107 -12.808 10.670 -0.130 1.00 24.43 H new ATOM 0 HD21 LEU A 107 -10.933 8.502 1.022 1.00 63.51 H new ATOM 0 HD22 LEU A 107 -12.446 8.135 0.160 1.00 63.51 H new ATOM 0 HD23 LEU A 107 -10.911 7.426 -0.396 1.00 63.51 H new ATOM 1696 N THR A 108 -12.953 6.920 -4.196 1.00 51.32 N ATOM 1697 CA THR A 108 -13.868 6.618 -5.303 1.00 4.23 C ATOM 1698 C THR A 108 -14.770 7.822 -5.615 1.00 55.13 C ATOM 1699 O THR A 108 -15.122 8.592 -4.720 1.00 31.44 O ATOM 1700 CB THR A 108 -14.768 5.392 -4.991 1.00 25.13 C ATOM 1701 OG1 THR A 108 -13.969 4.274 -4.581 1.00 61.20 O ATOM 1702 CG2 THR A 108 -15.597 4.987 -6.204 1.00 33.40 C ATOM 0 H THR A 108 -13.117 6.370 -3.353 1.00 51.32 H new ATOM 0 HA THR A 108 -13.244 6.389 -6.167 1.00 4.23 H new ATOM 0 HB THR A 108 -15.441 5.682 -4.184 1.00 25.13 H new ATOM 0 HG1 THR A 108 -14.551 3.510 -4.387 1.00 61.20 H new ATOM 0 HG21 THR A 108 -16.215 4.126 -5.951 1.00 33.40 H new ATOM 0 HG22 THR A 108 -16.236 5.818 -6.502 1.00 33.40 H new ATOM 0 HG23 THR A 108 -14.933 4.727 -7.028 1.00 33.40 H new