USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 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 77 THR OG1 : rot -46:sc= 1.07 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.174 X(o=1.2,f=1.3) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -142:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 97 GLN : amide:sc= 0.7 K(o=1.9,f=-3.3) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00233) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0427 (180deg=-0.302) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.079) USER MOD Single : A 30 SER OG : rot -32:sc= 0.27 USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= -0.177 (180deg=-0.736) USER MOD Single : A 38 THR OG1 : rot -154:sc= -0.533 USER MOD Single : A 43 SER OG : rot -83:sc= 0.515 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -164:sc= 0.0269 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc=-0.00127 (180deg=-0.0946) USER MOD Single : A 53 MET CE :methyl -147:sc= -0.073 (180deg=-0.618) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.67 F(o=-1.2,f=-0.67) USER MOD Single : A 61 TYR OH : rot 15:sc= -1.43! USER MOD Single : A 63 SER OG : rot 69:sc= 0.0785 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0315 F(o=-0.82,f=-0.031) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 107:sc= 0.759 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -107:sc= 0.17 USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= 0.249 (180deg=0.133) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 92 SER OG : rot 101:sc= 0.411 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.429 K(o=0.43,f=-0.69) USER MOD Single : A 102 SER OG : rot -100:sc= -0.366 USER MOD Single : A 104 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.704 -11.574 -7.019 1.00 23.11 N ATOM 323 CA ASP A 20 -11.229 -10.190 -7.047 1.00 72.25 C ATOM 324 C ASP A 20 -11.829 -9.754 -5.681 1.00 61.03 C ATOM 325 O ASP A 20 -11.871 -8.561 -5.392 1.00 61.03 O ATOM 326 CB ASP A 20 -12.231 -9.999 -8.202 1.00 63.45 C ATOM 327 CG ASP A 20 -11.548 -10.042 -9.583 1.00 22.55 C ATOM 328 OD1 ASP A 20 -10.717 -9.144 -9.870 1.00 31.20 O ATOM 329 OD2 ASP A 20 -11.820 -10.969 -10.376 1.00 24.04 O ATOM 0 HA ASP A 20 -10.381 -9.530 -7.231 1.00 72.25 H new ATOM 0 HB2 ASP A 20 -12.993 -10.777 -8.152 1.00 63.45 H new ATOM 0 HB3 ASP A 20 -12.743 -9.044 -8.082 1.00 63.45 H new ATOM 334 N LYS A 21 -12.336 -10.708 -4.860 1.00 41.32 N ATOM 335 CA LYS A 21 -12.697 -10.418 -3.442 1.00 11.20 C ATOM 336 C LYS A 21 -11.443 -10.130 -2.586 1.00 14.20 C ATOM 337 O LYS A 21 -11.517 -9.361 -1.630 1.00 33.22 O ATOM 338 CB LYS A 21 -13.543 -11.562 -2.789 1.00 14.41 C ATOM 339 CG LYS A 21 -15.066 -11.304 -2.761 1.00 4.42 C ATOM 340 CD LYS A 21 -15.822 -12.281 -1.822 1.00 54.11 C ATOM 341 CE LYS A 21 -17.276 -11.852 -1.551 1.00 54.31 C ATOM 342 NZ LYS A 21 -18.083 -11.748 -2.794 1.00 74.40 N ATOM 0 H LYS A 21 -12.504 -11.672 -5.147 1.00 41.32 H new ATOM 0 HA LYS A 21 -13.319 -9.523 -3.467 1.00 11.20 H new ATOM 0 HB2 LYS A 21 -13.355 -12.489 -3.331 1.00 14.41 H new ATOM 0 HB3 LYS A 21 -13.195 -11.714 -1.767 1.00 14.41 H new ATOM 0 HG2 LYS A 21 -15.251 -10.280 -2.438 1.00 4.42 H new ATOM 0 HG3 LYS A 21 -15.465 -11.396 -3.771 1.00 4.42 H new ATOM 0 HD2 LYS A 21 -15.820 -13.277 -2.265 1.00 54.11 H new ATOM 0 HD3 LYS A 21 -15.288 -12.352 -0.875 1.00 54.11 H new ATOM 0 HE2 LYS A 21 -17.743 -12.571 -0.878 1.00 54.31 H new ATOM 0 HE3 LYS A 21 -17.277 -10.889 -1.040 1.00 54.31 H new ATOM 0 HZ1 LYS A 21 -19.057 -11.473 -2.554 1.00 74.40 H new ATOM 0 HZ2 LYS A 21 -17.665 -11.031 -3.420 1.00 74.40 H new ATOM 0 HZ3 LYS A 21 -18.093 -12.668 -3.279 1.00 74.40 H new ATOM 356 N LYS A 22 -10.310 -10.776 -2.918 1.00 35.54 N ATOM 357 CA LYS A 22 -9.008 -10.481 -2.280 1.00 0.40 C ATOM 358 C LYS A 22 -8.598 -9.042 -2.637 1.00 30.32 C ATOM 359 O LYS A 22 -8.375 -8.220 -1.759 1.00 3.24 O ATOM 360 CB LYS A 22 -7.912 -11.472 -2.764 1.00 62.11 C ATOM 361 CG LYS A 22 -6.541 -11.310 -2.061 1.00 23.41 C ATOM 362 CD LYS A 22 -5.398 -12.059 -2.783 1.00 13.04 C ATOM 363 CE LYS A 22 -4.114 -12.151 -1.935 1.00 53.54 C ATOM 364 NZ LYS A 22 -4.328 -12.912 -0.676 1.00 11.33 N ATOM 0 H LYS A 22 -10.267 -11.509 -3.627 1.00 35.54 H new ATOM 0 HA LYS A 22 -9.109 -10.590 -1.200 1.00 0.40 H new ATOM 0 HB2 LYS A 22 -8.267 -12.491 -2.608 1.00 62.11 H new ATOM 0 HB3 LYS A 22 -7.773 -11.343 -3.837 1.00 62.11 H new ATOM 0 HG2 LYS A 22 -6.293 -10.250 -2.002 1.00 23.41 H new ATOM 0 HG3 LYS A 22 -6.618 -11.677 -1.038 1.00 23.41 H new ATOM 0 HD2 LYS A 22 -5.733 -13.065 -3.037 1.00 13.04 H new ATOM 0 HD3 LYS A 22 -5.173 -11.551 -3.721 1.00 13.04 H new ATOM 0 HE2 LYS A 22 -3.328 -12.631 -2.519 1.00 53.54 H new ATOM 0 HE3 LYS A 22 -3.765 -11.146 -1.696 1.00 53.54 H new ATOM 0 HZ1 LYS A 22 -3.409 -13.198 -0.283 1.00 11.33 H new ATOM 0 HZ2 LYS A 22 -4.827 -12.312 0.011 1.00 11.33 H new ATOM 0 HZ3 LYS A 22 -4.898 -13.759 -0.875 1.00 11.33 H new ATOM 378 N ARG A 23 -8.567 -8.771 -3.959 1.00 1.44 N ATOM 379 CA ARG A 23 -8.221 -7.457 -4.545 1.00 1.13 C ATOM 380 C ARG A 23 -9.076 -6.309 -3.952 1.00 61.44 C ATOM 381 O ARG A 23 -8.534 -5.346 -3.421 1.00 64.33 O ATOM 382 CB ARG A 23 -8.373 -7.543 -6.093 1.00 20.21 C ATOM 383 CG ARG A 23 -8.201 -6.213 -6.865 1.00 13.33 C ATOM 384 CD ARG A 23 -8.137 -6.421 -8.393 1.00 71.35 C ATOM 385 NE ARG A 23 -6.903 -7.131 -8.789 1.00 64.31 N ATOM 386 CZ ARG A 23 -6.814 -8.108 -9.669 1.00 45.12 C ATOM 387 NH1 ARG A 23 -7.864 -8.607 -10.251 1.00 52.42 N ATOM 388 NH2 ARG A 23 -5.647 -8.598 -9.945 1.00 41.04 N ATOM 0 H ARG A 23 -8.786 -9.474 -4.664 1.00 1.44 H new ATOM 0 HA ARG A 23 -7.187 -7.220 -4.293 1.00 1.13 H new ATOM 0 HB2 ARG A 23 -7.641 -8.257 -6.471 1.00 20.21 H new ATOM 0 HB3 ARG A 23 -9.360 -7.947 -6.320 1.00 20.21 H new ATOM 0 HG2 ARG A 23 -9.031 -5.548 -6.626 1.00 13.33 H new ATOM 0 HG3 ARG A 23 -7.290 -5.718 -6.530 1.00 13.33 H new ATOM 0 HD2 ARG A 23 -9.007 -6.990 -8.721 1.00 71.35 H new ATOM 0 HD3 ARG A 23 -8.180 -5.455 -8.895 1.00 71.35 H new ATOM 0 HE ARG A 23 -6.037 -6.837 -8.338 1.00 64.31 H new ATOM 0 HH11 ARG A 23 -8.791 -8.242 -10.031 1.00 52.42 H new ATOM 0 HH12 ARG A 23 -7.761 -9.363 -10.928 1.00 52.42 H new ATOM 0 HH21 ARG A 23 -4.816 -8.227 -9.484 1.00 41.04 H new ATOM 0 HH22 ARG A 23 -5.559 -9.354 -10.624 1.00 41.04 H new ATOM 402 N ALA A 24 -10.408 -6.454 -4.011 1.00 72.33 N ATOM 403 CA ALA A 24 -11.366 -5.441 -3.496 1.00 43.34 C ATOM 404 C ALA A 24 -11.193 -5.183 -1.980 1.00 34.55 C ATOM 405 O ALA A 24 -11.341 -4.051 -1.512 1.00 31.23 O ATOM 406 CB ALA A 24 -12.807 -5.884 -3.787 1.00 3.41 C ATOM 0 H ALA A 24 -10.860 -7.274 -4.416 1.00 72.33 H new ATOM 0 HA ALA A 24 -11.154 -4.505 -4.013 1.00 43.34 H new ATOM 0 HB1 ALA A 24 -13.502 -5.135 -3.406 1.00 3.41 H new ATOM 0 HB2 ALA A 24 -12.944 -5.992 -4.863 1.00 3.41 H new ATOM 0 HB3 ALA A 24 -13.000 -6.839 -3.299 1.00 3.41 H new ATOM 412 N ARG A 25 -10.893 -6.259 -1.231 1.00 64.31 N ATOM 413 CA ARG A 25 -10.645 -6.201 0.226 1.00 2.10 C ATOM 414 C ARG A 25 -9.280 -5.540 0.553 1.00 64.33 C ATOM 415 O ARG A 25 -9.146 -4.877 1.580 1.00 70.12 O ATOM 416 CB ARG A 25 -10.764 -7.625 0.825 1.00 35.04 C ATOM 417 CG ARG A 25 -10.484 -7.754 2.340 1.00 33.43 C ATOM 418 CD ARG A 25 -10.867 -9.146 2.894 1.00 70.51 C ATOM 419 NE ARG A 25 -10.401 -10.253 2.027 1.00 12.43 N ATOM 420 CZ ARG A 25 -9.724 -11.310 2.420 1.00 34.44 C ATOM 421 NH1 ARG A 25 -9.270 -11.413 3.634 1.00 41.34 N ATOM 422 NH2 ARG A 25 -9.479 -12.250 1.573 1.00 44.43 N ATOM 0 H ARG A 25 -10.815 -7.199 -1.619 1.00 64.31 H new ATOM 0 HA ARG A 25 -11.402 -5.567 0.688 1.00 2.10 H new ATOM 0 HB2 ARG A 25 -11.770 -7.996 0.630 1.00 35.04 H new ATOM 0 HB3 ARG A 25 -10.074 -8.280 0.292 1.00 35.04 H new ATOM 0 HG2 ARG A 25 -9.426 -7.570 2.528 1.00 33.43 H new ATOM 0 HG3 ARG A 25 -11.042 -6.986 2.876 1.00 33.43 H new ATOM 0 HD2 ARG A 25 -10.441 -9.266 3.890 1.00 70.51 H new ATOM 0 HD3 ARG A 25 -11.950 -9.205 3.001 1.00 70.51 H new ATOM 0 HE ARG A 25 -10.626 -10.190 1.034 1.00 12.43 H new ATOM 0 HH11 ARG A 25 -9.436 -10.664 4.306 1.00 41.34 H new ATOM 0 HH12 ARG A 25 -8.748 -12.243 3.914 1.00 41.34 H new ATOM 0 HH21 ARG A 25 -9.809 -12.169 0.611 1.00 44.43 H new ATOM 0 HH22 ARG A 25 -8.955 -13.075 1.864 1.00 44.43 H new ATOM 436 N LEU A 26 -8.270 -5.715 -0.326 1.00 11.12 N ATOM 437 CA LEU A 26 -6.966 -5.018 -0.187 1.00 24.14 C ATOM 438 C LEU A 26 -7.148 -3.490 -0.378 1.00 54.22 C ATOM 439 O LEU A 26 -6.649 -2.686 0.416 1.00 21.21 O ATOM 440 CB LEU A 26 -5.922 -5.552 -1.206 1.00 0.44 C ATOM 441 CG LEU A 26 -5.537 -7.063 -1.119 1.00 43.12 C ATOM 442 CD1 LEU A 26 -4.469 -7.436 -2.167 1.00 13.32 C ATOM 443 CD2 LEU A 26 -5.080 -7.435 0.297 1.00 10.14 C ATOM 0 H LEU A 26 -8.329 -6.330 -1.138 1.00 11.12 H new ATOM 0 HA LEU A 26 -6.594 -5.216 0.818 1.00 24.14 H new ATOM 0 HB2 LEU A 26 -6.302 -5.359 -2.209 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -5.010 -4.966 -1.092 1.00 0.44 H new ATOM 0 HG LEU A 26 -6.431 -7.644 -1.345 1.00 43.12 H new ATOM 0 HD11 LEU A 26 -4.225 -8.495 -2.077 1.00 13.32 H new ATOM 0 HD12 LEU A 26 -4.855 -7.236 -3.167 1.00 13.32 H new ATOM 0 HD13 LEU A 26 -3.571 -6.842 -1.999 1.00 13.32 H new ATOM 0 HD21 LEU A 26 -4.818 -8.493 0.329 1.00 10.14 H new ATOM 0 HD22 LEU A 26 -4.209 -6.837 0.567 1.00 10.14 H new ATOM 0 HD23 LEU A 26 -5.887 -7.240 1.003 1.00 10.14 H new ATOM 455 N ILE A 27 -7.882 -3.123 -1.449 1.00 21.45 N ATOM 456 CA ILE A 27 -8.257 -1.719 -1.754 1.00 71.22 C ATOM 457 C ILE A 27 -9.155 -1.112 -0.632 1.00 64.33 C ATOM 458 O ILE A 27 -9.110 0.089 -0.366 1.00 24.42 O ATOM 459 CB ILE A 27 -8.992 -1.616 -3.157 1.00 61.33 C ATOM 460 CG1 ILE A 27 -8.187 -2.350 -4.276 1.00 35.35 C ATOM 461 CG2 ILE A 27 -9.236 -0.139 -3.561 1.00 21.11 C ATOM 462 CD1 ILE A 27 -8.893 -2.461 -5.623 1.00 41.35 C ATOM 0 H ILE A 27 -8.235 -3.793 -2.132 1.00 21.45 H new ATOM 0 HA ILE A 27 -7.334 -1.142 -1.802 1.00 71.22 H new ATOM 0 HB ILE A 27 -9.959 -2.108 -3.047 1.00 61.33 H new ATOM 0 HG12 ILE A 27 -7.242 -1.828 -4.422 1.00 35.35 H new ATOM 0 HG13 ILE A 27 -7.946 -3.354 -3.927 1.00 35.35 H new ATOM 0 HG21 ILE A 27 -9.741 -0.105 -4.526 1.00 21.11 H new ATOM 0 HG22 ILE A 27 -9.858 0.346 -2.809 1.00 21.11 H new ATOM 0 HG23 ILE A 27 -8.281 0.381 -3.632 1.00 21.11 H new ATOM 0 HD11 ILE A 27 -8.250 -2.986 -6.329 1.00 41.35 H new ATOM 0 HD12 ILE A 27 -9.825 -3.013 -5.501 1.00 41.35 H new ATOM 0 HD13 ILE A 27 -9.110 -1.463 -6.003 1.00 41.35 H new ATOM 474 N TYR A 28 -9.959 -1.970 0.017 1.00 61.32 N ATOM 475 CA TYR A 28 -10.816 -1.589 1.166 1.00 41.22 C ATOM 476 C TYR A 28 -9.966 -1.227 2.415 1.00 13.32 C ATOM 477 O TYR A 28 -10.143 -0.164 3.006 1.00 62.03 O ATOM 478 CB TYR A 28 -11.796 -2.755 1.473 1.00 52.31 C ATOM 479 CG TYR A 28 -12.635 -2.611 2.758 1.00 10.42 C ATOM 480 CD1 TYR A 28 -13.743 -1.759 2.813 1.00 33.40 C ATOM 481 CD2 TYR A 28 -12.318 -3.339 3.914 1.00 21.15 C ATOM 482 CE1 TYR A 28 -14.493 -1.635 3.972 1.00 42.23 C ATOM 483 CE2 TYR A 28 -13.064 -3.216 5.068 1.00 74.52 C ATOM 484 CZ TYR A 28 -14.152 -2.369 5.094 1.00 31.03 C ATOM 485 OH TYR A 28 -14.893 -2.249 6.255 1.00 64.23 O ATOM 0 H TYR A 28 -10.038 -2.955 -0.238 1.00 61.32 H new ATOM 0 HA TYR A 28 -11.385 -0.697 0.905 1.00 41.22 H new ATOM 0 HB2 TYR A 28 -12.477 -2.863 0.629 1.00 52.31 H new ATOM 0 HB3 TYR A 28 -11.221 -3.679 1.540 1.00 52.31 H new ATOM 0 HD1 TYR A 28 -14.019 -1.189 1.938 1.00 33.40 H new ATOM 0 HD2 TYR A 28 -11.472 -4.010 3.901 1.00 21.15 H new ATOM 0 HE1 TYR A 28 -15.341 -0.967 3.999 1.00 42.23 H new ATOM 0 HE2 TYR A 28 -12.797 -3.781 5.948 1.00 74.52 H new ATOM 0 HH TYR A 28 -14.517 -2.835 6.945 1.00 64.23 H new ATOM 495 N GLN A 29 -9.034 -2.120 2.789 1.00 34.13 N ATOM 496 CA GLN A 29 -8.178 -1.949 3.997 1.00 12.14 C ATOM 497 C GLN A 29 -7.072 -0.880 3.790 1.00 51.05 C ATOM 498 O GLN A 29 -6.408 -0.472 4.747 1.00 61.42 O ATOM 499 CB GLN A 29 -7.537 -3.303 4.381 1.00 31.11 C ATOM 500 CG GLN A 29 -8.543 -4.434 4.666 1.00 52.35 C ATOM 501 CD GLN A 29 -7.868 -5.790 4.882 1.00 32.12 C ATOM 502 OE1 GLN A 29 -7.566 -6.183 6.003 1.00 2.02 O ATOM 503 NE2 GLN A 29 -7.594 -6.497 3.802 1.00 10.21 N ATOM 0 H GLN A 29 -8.846 -2.979 2.272 1.00 34.13 H new ATOM 0 HA GLN A 29 -8.820 -1.599 4.805 1.00 12.14 H new ATOM 0 HB2 GLN A 29 -6.876 -3.618 3.574 1.00 31.11 H new ATOM 0 HB3 GLN A 29 -6.915 -3.157 5.264 1.00 31.11 H new ATOM 0 HG2 GLN A 29 -9.127 -4.180 5.550 1.00 52.35 H new ATOM 0 HG3 GLN A 29 -9.242 -4.510 3.833 1.00 52.35 H new ATOM 0 HE21 GLN A 29 -7.857 -6.145 2.882 1.00 10.21 H new ATOM 0 HE22 GLN A 29 -7.119 -7.396 3.888 1.00 10.21 H new ATOM 512 N SER A 30 -6.855 -0.472 2.531 1.00 24.11 N ATOM 513 CA SER A 30 -5.930 0.629 2.182 1.00 31.42 C ATOM 514 C SER A 30 -6.653 1.992 2.198 1.00 12.01 C ATOM 515 O SER A 30 -6.075 3.007 2.605 1.00 44.30 O ATOM 516 CB SER A 30 -5.325 0.392 0.797 1.00 34.44 C ATOM 517 OG SER A 30 -6.291 0.509 -0.228 1.00 14.03 O ATOM 0 H SER A 30 -7.313 -0.893 1.723 1.00 24.11 H new ATOM 0 HA SER A 30 -5.137 0.647 2.930 1.00 31.42 H new ATOM 0 HB2 SER A 30 -4.523 1.110 0.624 1.00 34.44 H new ATOM 0 HB3 SER A 30 -4.877 -0.601 0.762 1.00 34.44 H new ATOM 0 HG SER A 30 -7.162 0.210 0.107 1.00 14.03 H new ATOM 523 N ARG A 31 -7.922 2.008 1.716 1.00 11.14 N ATOM 524 CA ARG A 31 -8.784 3.212 1.774 1.00 21.55 C ATOM 525 C ARG A 31 -9.357 3.391 3.206 1.00 62.32 C ATOM 526 O ARG A 31 -10.020 4.382 3.509 1.00 22.35 O ATOM 527 CB ARG A 31 -9.923 3.133 0.707 1.00 33.32 C ATOM 528 CG ARG A 31 -11.177 2.328 1.117 1.00 4.44 C ATOM 529 CD ARG A 31 -12.232 2.216 -0.005 1.00 73.41 C ATOM 530 NE ARG A 31 -11.886 1.194 -1.008 1.00 2.02 N ATOM 531 CZ ARG A 31 -12.690 0.770 -1.963 1.00 61.34 C ATOM 532 NH1 ARG A 31 -13.811 1.373 -2.220 1.00 1.12 N ATOM 533 NH2 ARG A 31 -12.343 -0.244 -2.684 1.00 21.15 N ATOM 0 H ARG A 31 -8.369 1.200 1.283 1.00 11.14 H new ATOM 0 HA ARG A 31 -8.179 4.088 1.539 1.00 21.55 H new ATOM 0 HB2 ARG A 31 -10.232 4.148 0.458 1.00 33.32 H new ATOM 0 HB3 ARG A 31 -9.513 2.692 -0.202 1.00 33.32 H new ATOM 0 HG2 ARG A 31 -10.873 1.326 1.420 1.00 4.44 H new ATOM 0 HG3 ARG A 31 -11.633 2.799 1.988 1.00 4.44 H new ATOM 0 HD2 ARG A 31 -13.200 1.975 0.434 1.00 73.41 H new ATOM 0 HD3 ARG A 31 -12.337 3.183 -0.498 1.00 73.41 H new ATOM 0 HE ARG A 31 -10.954 0.783 -0.960 1.00 2.02 H new ATOM 0 HH11 ARG A 31 -14.085 2.193 -1.678 1.00 1.12 H new ATOM 0 HH12 ARG A 31 -14.417 1.027 -2.964 1.00 1.12 H new ATOM 0 HH21 ARG A 31 -11.452 -0.711 -2.513 1.00 21.15 H new ATOM 0 HH22 ARG A 31 -12.960 -0.578 -3.425 1.00 21.15 H new ATOM 547 N LYS A 32 -9.157 2.371 4.060 1.00 24.11 N ATOM 548 CA LYS A 32 -9.300 2.491 5.521 1.00 20.52 C ATOM 549 C LYS A 32 -7.896 2.714 6.137 1.00 61.25 C ATOM 550 O LYS A 32 -7.078 1.806 6.149 1.00 50.30 O ATOM 551 CB LYS A 32 -9.958 1.191 6.104 1.00 74.23 C ATOM 552 CG LYS A 32 -11.496 1.211 6.340 1.00 4.34 C ATOM 553 CD LYS A 32 -12.375 1.314 5.059 1.00 44.24 C ATOM 554 CE LYS A 32 -12.658 2.764 4.616 1.00 53.31 C ATOM 555 NZ LYS A 32 -13.219 3.598 5.714 1.00 42.45 N ATOM 0 H LYS A 32 -8.890 1.435 3.753 1.00 24.11 H new ATOM 0 HA LYS A 32 -9.944 3.335 5.767 1.00 20.52 H new ATOM 0 HB2 LYS A 32 -9.732 0.367 5.428 1.00 74.23 H new ATOM 0 HB3 LYS A 32 -9.474 0.966 7.054 1.00 74.23 H new ATOM 0 HG2 LYS A 32 -11.774 0.304 6.877 1.00 4.34 H new ATOM 0 HG3 LYS A 32 -11.734 2.053 6.990 1.00 4.34 H new ATOM 0 HD2 LYS A 32 -11.879 0.785 4.245 1.00 44.24 H new ATOM 0 HD3 LYS A 32 -13.323 0.807 5.238 1.00 44.24 H new ATOM 0 HE2 LYS A 32 -11.734 3.217 4.256 1.00 53.31 H new ATOM 0 HE3 LYS A 32 -13.356 2.755 3.779 1.00 53.31 H new ATOM 0 HZ1 LYS A 32 -13.976 4.204 5.338 1.00 42.45 H new ATOM 0 HZ2 LYS A 32 -13.606 2.980 6.456 1.00 42.45 H new ATOM 0 HZ3 LYS A 32 -12.467 4.193 6.117 1.00 42.45 H new ATOM 569 N ARG A 33 -7.656 3.916 6.678 1.00 1.23 N ATOM 570 CA ARG A 33 -6.393 4.298 7.374 1.00 30.41 C ATOM 571 C ARG A 33 -6.712 5.290 8.520 1.00 74.54 C ATOM 572 O ARG A 33 -7.836 5.810 8.606 1.00 1.53 O ATOM 573 CB ARG A 33 -5.350 4.953 6.400 1.00 32.10 C ATOM 574 CG ARG A 33 -4.604 4.007 5.412 1.00 24.34 C ATOM 575 CD ARG A 33 -3.679 2.952 6.101 1.00 5.52 C ATOM 576 NE ARG A 33 -4.321 1.628 6.242 1.00 51.11 N ATOM 577 CZ ARG A 33 -3.835 0.590 6.891 1.00 43.33 C ATOM 578 NH1 ARG A 33 -2.662 0.612 7.437 1.00 11.21 N ATOM 579 NH2 ARG A 33 -4.541 -0.486 6.968 1.00 11.20 N ATOM 0 H ARG A 33 -8.339 4.673 6.650 1.00 1.23 H new ATOM 0 HA ARG A 33 -5.950 3.384 7.770 1.00 30.41 H new ATOM 0 HB2 ARG A 33 -5.867 5.713 5.814 1.00 32.10 H new ATOM 0 HB3 ARG A 33 -4.603 5.468 7.003 1.00 32.10 H new ATOM 0 HG2 ARG A 33 -5.341 3.483 4.803 1.00 24.34 H new ATOM 0 HG3 ARG A 33 -4.002 4.612 4.734 1.00 24.34 H new ATOM 0 HD2 ARG A 33 -2.763 2.846 5.520 1.00 5.52 H new ATOM 0 HD3 ARG A 33 -3.391 3.317 7.087 1.00 5.52 H new ATOM 0 HE ARG A 33 -5.229 1.506 5.793 1.00 51.11 H new ATOM 0 HH11 ARG A 33 -2.085 1.450 7.372 1.00 11.21 H new ATOM 0 HH12 ARG A 33 -2.315 -0.209 7.933 1.00 11.21 H new ATOM 0 HH21 ARG A 33 -5.461 -0.525 6.530 1.00 11.20 H new ATOM 0 HH22 ARG A 33 -4.179 -1.299 7.467 1.00 11.20 H new ATOM 593 N GLY A 34 -5.715 5.545 9.392 1.00 33.31 N ATOM 594 CA GLY A 34 -5.851 6.540 10.465 1.00 12.22 C ATOM 595 C GLY A 34 -5.966 7.979 9.940 1.00 62.21 C ATOM 596 O GLY A 34 -6.960 8.668 10.197 1.00 33.12 O ATOM 0 H GLY A 34 -4.810 5.074 9.371 1.00 33.31 H new ATOM 0 HA2 GLY A 34 -6.733 6.305 11.061 1.00 12.22 H new ATOM 0 HA3 GLY A 34 -4.990 6.469 11.129 1.00 12.22 H new ATOM 600 N ILE A 35 -4.940 8.424 9.195 1.00 62.33 N ATOM 601 CA ILE A 35 -4.904 9.780 8.591 1.00 53.30 C ATOM 602 C ILE A 35 -5.384 9.785 7.119 1.00 44.14 C ATOM 603 O ILE A 35 -5.283 8.776 6.407 1.00 43.34 O ATOM 604 CB ILE A 35 -3.464 10.398 8.669 1.00 61.04 C ATOM 605 CG1 ILE A 35 -2.433 9.505 7.901 1.00 73.30 C ATOM 606 CG2 ILE A 35 -3.052 10.611 10.144 1.00 22.11 C ATOM 607 CD1 ILE A 35 -1.012 10.027 7.877 1.00 54.10 C ATOM 0 H ILE A 35 -4.113 7.862 8.991 1.00 62.33 H new ATOM 0 HA ILE A 35 -5.593 10.390 9.175 1.00 53.30 H new ATOM 0 HB ILE A 35 -3.473 11.373 8.181 1.00 61.04 H new ATOM 0 HG12 ILE A 35 -2.430 8.513 8.353 1.00 73.30 H new ATOM 0 HG13 ILE A 35 -2.776 9.386 6.873 1.00 73.30 H new ATOM 0 HG21 ILE A 35 -2.051 11.040 10.184 1.00 22.11 H new ATOM 0 HG22 ILE A 35 -3.757 11.289 10.624 1.00 22.11 H new ATOM 0 HG23 ILE A 35 -3.057 9.654 10.665 1.00 22.11 H new ATOM 0 HD11 ILE A 35 -0.380 9.335 7.321 1.00 54.10 H new ATOM 0 HD12 ILE A 35 -0.992 11.005 7.395 1.00 54.10 H new ATOM 0 HD13 ILE A 35 -0.640 10.118 8.898 1.00 54.10 H new ATOM 619 N LEU A 36 -5.891 10.956 6.679 1.00 14.25 N ATOM 620 CA LEU A 36 -6.339 11.185 5.285 1.00 12.23 C ATOM 621 C LEU A 36 -5.134 11.281 4.306 1.00 21.45 C ATOM 622 O LEU A 36 -5.283 11.052 3.108 1.00 73.13 O ATOM 623 CB LEU A 36 -7.213 12.471 5.205 1.00 32.11 C ATOM 624 CG LEU A 36 -7.959 12.722 3.851 1.00 4.02 C ATOM 625 CD1 LEU A 36 -9.004 11.622 3.561 1.00 41.32 C ATOM 626 CD2 LEU A 36 -8.599 14.128 3.810 1.00 1.13 C ATOM 0 H LEU A 36 -6.002 11.772 7.280 1.00 14.25 H new ATOM 0 HA LEU A 36 -6.941 10.329 4.981 1.00 12.23 H new ATOM 0 HB2 LEU A 36 -7.956 12.430 6.002 1.00 32.11 H new ATOM 0 HB3 LEU A 36 -6.575 13.331 5.408 1.00 32.11 H new ATOM 0 HG LEU A 36 -7.211 12.676 3.059 1.00 4.02 H new ATOM 0 HD11 LEU A 36 -9.500 11.832 2.613 1.00 41.32 H new ATOM 0 HD12 LEU A 36 -8.507 10.654 3.504 1.00 41.32 H new ATOM 0 HD13 LEU A 36 -9.744 11.603 4.361 1.00 41.32 H new ATOM 0 HD21 LEU A 36 -9.108 14.268 2.857 1.00 1.13 H new ATOM 0 HD22 LEU A 36 -9.318 14.224 4.623 1.00 1.13 H new ATOM 0 HD23 LEU A 36 -7.822 14.885 3.921 1.00 1.13 H new ATOM 638 N GLU A 37 -3.948 11.624 4.837 1.00 3.13 N ATOM 639 CA GLU A 37 -2.703 11.771 4.036 1.00 4.31 C ATOM 640 C GLU A 37 -2.298 10.424 3.389 1.00 3.24 C ATOM 641 O GLU A 37 -2.076 10.338 2.172 1.00 2.21 O ATOM 642 CB GLU A 37 -1.540 12.329 4.921 1.00 24.32 C ATOM 643 CG GLU A 37 -1.718 13.781 5.434 1.00 42.55 C ATOM 644 CD GLU A 37 -2.851 13.964 6.471 1.00 3.31 C ATOM 645 OE1 GLU A 37 -2.617 13.739 7.678 1.00 51.10 O ATOM 646 OE2 GLU A 37 -3.988 14.317 6.076 1.00 31.51 O ATOM 0 H GLU A 37 -3.817 11.809 5.832 1.00 3.13 H new ATOM 0 HA GLU A 37 -2.899 12.485 3.236 1.00 4.31 H new ATOM 0 HB2 GLU A 37 -1.417 11.672 5.782 1.00 24.32 H new ATOM 0 HB3 GLU A 37 -0.615 12.278 4.346 1.00 24.32 H new ATOM 0 HG2 GLU A 37 -0.780 14.113 5.878 1.00 42.55 H new ATOM 0 HG3 GLU A 37 -1.915 14.432 4.582 1.00 42.55 H new ATOM 653 N THR A 38 -2.215 9.380 4.225 1.00 15.12 N ATOM 654 CA THR A 38 -1.935 7.995 3.778 1.00 65.11 C ATOM 655 C THR A 38 -3.165 7.371 3.072 1.00 23.34 C ATOM 656 O THR A 38 -3.007 6.500 2.221 1.00 30.21 O ATOM 657 CB THR A 38 -1.481 7.095 4.964 1.00 43.45 C ATOM 658 OG1 THR A 38 -0.442 7.766 5.682 1.00 63.23 O ATOM 659 CG2 THR A 38 -0.960 5.718 4.505 1.00 23.33 C ATOM 0 H THR A 38 -2.339 9.465 5.234 1.00 15.12 H new ATOM 0 HA THR A 38 -1.118 8.050 3.059 1.00 65.11 H new ATOM 0 HB THR A 38 -2.354 6.921 5.594 1.00 43.45 H new ATOM 0 HG1 THR A 38 0.120 7.105 6.138 1.00 63.23 H new ATOM 0 HG21 THR A 38 -0.658 5.135 5.375 1.00 23.33 H new ATOM 0 HG22 THR A 38 -1.750 5.190 3.970 1.00 23.33 H new ATOM 0 HG23 THR A 38 -0.104 5.855 3.845 1.00 23.33 H new ATOM 667 N ASP A 39 -4.387 7.792 3.473 1.00 3.23 N ATOM 668 CA ASP A 39 -5.648 7.378 2.800 1.00 75.02 C ATOM 669 C ASP A 39 -5.610 7.685 1.277 1.00 32.32 C ATOM 670 O ASP A 39 -5.726 6.776 0.470 1.00 64.24 O ATOM 671 CB ASP A 39 -6.859 8.080 3.464 1.00 52.44 C ATOM 672 CG ASP A 39 -8.192 7.830 2.738 1.00 11.42 C ATOM 673 OD1 ASP A 39 -8.797 6.777 2.958 1.00 72.01 O ATOM 674 OD2 ASP A 39 -8.625 8.684 1.929 1.00 62.20 O ATOM 0 H ASP A 39 -4.530 8.421 4.263 1.00 3.23 H new ATOM 0 HA ASP A 39 -5.753 6.299 2.915 1.00 75.02 H new ATOM 0 HB2 ASP A 39 -6.947 7.737 4.495 1.00 52.44 H new ATOM 0 HB3 ASP A 39 -6.671 9.153 3.500 1.00 52.44 H new ATOM 679 N LEU A 40 -5.424 8.972 0.912 1.00 54.21 N ATOM 680 CA LEU A 40 -5.341 9.426 -0.509 1.00 42.12 C ATOM 681 C LEU A 40 -4.230 8.669 -1.292 1.00 73.45 C ATOM 682 O LEU A 40 -4.383 8.358 -2.482 1.00 75.30 O ATOM 683 CB LEU A 40 -5.075 10.960 -0.575 1.00 22.32 C ATOM 684 CG LEU A 40 -6.143 11.893 0.090 1.00 63.04 C ATOM 685 CD1 LEU A 40 -5.744 13.381 -0.036 1.00 65.22 C ATOM 686 CD2 LEU A 40 -7.555 11.642 -0.478 1.00 24.13 C ATOM 0 H LEU A 40 -5.326 9.731 1.587 1.00 54.21 H new ATOM 0 HA LEU A 40 -6.299 9.202 -0.978 1.00 42.12 H new ATOM 0 HB2 LEU A 40 -4.112 11.158 -0.105 1.00 22.32 H new ATOM 0 HB3 LEU A 40 -4.982 11.244 -1.623 1.00 22.32 H new ATOM 0 HG LEU A 40 -6.173 11.645 1.151 1.00 63.04 H new ATOM 0 HD11 LEU A 40 -6.505 14.003 0.435 1.00 65.22 H new ATOM 0 HD12 LEU A 40 -4.786 13.544 0.458 1.00 65.22 H new ATOM 0 HD13 LEU A 40 -5.659 13.647 -1.090 1.00 65.22 H new ATOM 0 HD21 LEU A 40 -8.267 12.309 0.009 1.00 24.13 H new ATOM 0 HD22 LEU A 40 -7.555 11.833 -1.551 1.00 24.13 H new ATOM 0 HD23 LEU A 40 -7.843 10.607 -0.294 1.00 24.13 H new ATOM 698 N LEU A 41 -3.128 8.371 -0.584 1.00 75.51 N ATOM 699 CA LEU A 41 -1.967 7.631 -1.129 1.00 44.10 C ATOM 700 C LEU A 41 -2.334 6.157 -1.490 1.00 45.01 C ATOM 701 O LEU A 41 -2.261 5.759 -2.654 1.00 61.13 O ATOM 702 CB LEU A 41 -0.823 7.675 -0.071 1.00 0.44 C ATOM 703 CG LEU A 41 0.508 6.928 -0.413 1.00 11.13 C ATOM 704 CD1 LEU A 41 1.216 7.543 -1.644 1.00 0.32 C ATOM 705 CD2 LEU A 41 1.440 6.878 0.823 1.00 24.10 C ATOM 0 H LEU A 41 -3.012 8.638 0.394 1.00 75.51 H new ATOM 0 HA LEU A 41 -1.643 8.104 -2.056 1.00 44.10 H new ATOM 0 HB2 LEU A 41 -0.582 8.721 0.120 1.00 0.44 H new ATOM 0 HB3 LEU A 41 -1.210 7.262 0.860 1.00 0.44 H new ATOM 0 HG LEU A 41 0.255 5.903 -0.682 1.00 11.13 H new ATOM 0 HD11 LEU A 41 2.136 6.994 -1.847 1.00 0.32 H new ATOM 0 HD12 LEU A 41 0.558 7.481 -2.511 1.00 0.32 H new ATOM 0 HD13 LEU A 41 1.454 8.588 -1.443 1.00 0.32 H new ATOM 0 HD21 LEU A 41 2.360 6.354 0.564 1.00 24.10 H new ATOM 0 HD22 LEU A 41 1.677 7.893 1.141 1.00 24.10 H new ATOM 0 HD23 LEU A 41 0.939 6.351 1.635 1.00 24.10 H new ATOM 717 N LEU A 42 -2.772 5.385 -0.477 1.00 14.44 N ATOM 718 CA LEU A 42 -3.039 3.929 -0.601 1.00 11.44 C ATOM 719 C LEU A 42 -4.358 3.590 -1.337 1.00 0.21 C ATOM 720 O LEU A 42 -4.444 2.545 -1.964 1.00 35.44 O ATOM 721 CB LEU A 42 -3.029 3.258 0.798 1.00 12.52 C ATOM 722 CG LEU A 42 -1.645 3.140 1.502 1.00 23.42 C ATOM 723 CD1 LEU A 42 -1.784 2.440 2.871 1.00 12.54 C ATOM 724 CD2 LEU A 42 -0.620 2.409 0.603 1.00 0.44 C ATOM 0 H LEU A 42 -2.953 5.751 0.458 1.00 14.44 H new ATOM 0 HA LEU A 42 -2.233 3.531 -1.218 1.00 11.44 H new ATOM 0 HB2 LEU A 42 -3.697 3.820 1.451 1.00 12.52 H new ATOM 0 HB3 LEU A 42 -3.448 2.257 0.699 1.00 12.52 H new ATOM 0 HG LEU A 42 -1.270 4.149 1.676 1.00 23.42 H new ATOM 0 HD11 LEU A 42 -0.805 2.369 3.344 1.00 12.54 H new ATOM 0 HD12 LEU A 42 -2.454 3.017 3.508 1.00 12.54 H new ATOM 0 HD13 LEU A 42 -2.192 1.439 2.728 1.00 12.54 H new ATOM 0 HD21 LEU A 42 0.336 2.342 1.122 1.00 0.44 H new ATOM 0 HD22 LEU A 42 -0.983 1.406 0.379 1.00 0.44 H new ATOM 0 HD23 LEU A 42 -0.491 2.964 -0.326 1.00 0.44 H new ATOM 736 N SER A 43 -5.391 4.444 -1.214 1.00 33.01 N ATOM 737 CA SER A 43 -6.705 4.230 -1.899 1.00 35.23 C ATOM 738 C SER A 43 -6.534 4.235 -3.434 1.00 13.24 C ATOM 739 O SER A 43 -7.019 3.332 -4.130 1.00 54.14 O ATOM 740 CB SER A 43 -7.735 5.311 -1.484 1.00 2.45 C ATOM 741 OG SER A 43 -7.335 6.613 -1.897 1.00 44.44 O ATOM 0 H SER A 43 -5.353 5.293 -0.649 1.00 33.01 H new ATOM 0 HA SER A 43 -7.079 3.254 -1.589 1.00 35.23 H new ATOM 0 HB2 SER A 43 -8.705 5.074 -1.920 1.00 2.45 H new ATOM 0 HB3 SER A 43 -7.860 5.296 -0.401 1.00 2.45 H new ATOM 0 HG SER A 43 -6.705 6.984 -1.244 1.00 44.44 H new ATOM 747 N GLY A 44 -5.821 5.264 -3.934 1.00 10.11 N ATOM 748 CA GLY A 44 -5.475 5.374 -5.355 1.00 2.03 C ATOM 749 C GLY A 44 -4.492 4.290 -5.820 1.00 32.42 C ATOM 750 O GLY A 44 -4.687 3.682 -6.873 1.00 14.55 O ATOM 0 H GLY A 44 -5.473 6.035 -3.364 1.00 10.11 H new ATOM 0 HA2 GLY A 44 -6.386 5.310 -5.951 1.00 2.03 H new ATOM 0 HA3 GLY A 44 -5.040 6.356 -5.542 1.00 2.03 H new ATOM 754 N PHE A 45 -3.440 4.052 -5.004 1.00 40.04 N ATOM 755 CA PHE A 45 -2.392 3.026 -5.272 1.00 31.12 C ATOM 756 C PHE A 45 -2.997 1.623 -5.436 1.00 22.23 C ATOM 757 O PHE A 45 -2.616 0.863 -6.320 1.00 73.43 O ATOM 758 CB PHE A 45 -1.360 3.019 -4.113 1.00 45.23 C ATOM 759 CG PHE A 45 -0.207 2.033 -4.288 1.00 61.34 C ATOM 760 CD1 PHE A 45 0.810 2.283 -5.201 1.00 2.41 C ATOM 761 CD2 PHE A 45 -0.139 0.855 -3.541 1.00 63.13 C ATOM 762 CE1 PHE A 45 1.847 1.391 -5.363 1.00 55.33 C ATOM 763 CE2 PHE A 45 0.905 -0.032 -3.707 1.00 62.44 C ATOM 764 CZ PHE A 45 1.898 0.236 -4.618 1.00 21.20 C ATOM 0 H PHE A 45 -3.288 4.566 -4.136 1.00 40.04 H new ATOM 0 HA PHE A 45 -1.899 3.288 -6.208 1.00 31.12 H new ATOM 0 HB2 PHE A 45 -0.948 4.023 -4.006 1.00 45.23 H new ATOM 0 HB3 PHE A 45 -1.880 2.787 -3.184 1.00 45.23 H new ATOM 0 HD1 PHE A 45 0.787 3.188 -5.791 1.00 2.41 H new ATOM 0 HD2 PHE A 45 -0.915 0.635 -2.823 1.00 63.13 H new ATOM 0 HE1 PHE A 45 2.626 1.600 -6.081 1.00 55.33 H new ATOM 0 HE2 PHE A 45 0.942 -0.938 -3.120 1.00 62.44 H new ATOM 0 HZ PHE A 45 2.715 -0.458 -4.749 1.00 21.20 H new ATOM 774 N ALA A 46 -3.941 1.310 -4.557 1.00 43.01 N ATOM 775 CA ALA A 46 -4.623 0.016 -4.542 1.00 3.21 C ATOM 776 C ALA A 46 -5.547 -0.159 -5.760 1.00 61.23 C ATOM 777 O ALA A 46 -5.521 -1.190 -6.434 1.00 12.54 O ATOM 778 CB ALA A 46 -5.402 -0.143 -3.247 1.00 24.12 C ATOM 0 H ALA A 46 -4.259 1.949 -3.829 1.00 43.01 H new ATOM 0 HA ALA A 46 -3.865 -0.765 -4.601 1.00 3.21 H new ATOM 0 HB1 ALA A 46 -5.907 -1.109 -3.243 1.00 24.12 H new ATOM 0 HB2 ALA A 46 -4.717 -0.088 -2.401 1.00 24.12 H new ATOM 0 HB3 ALA A 46 -6.141 0.654 -3.167 1.00 24.12 H new ATOM 784 N ALA A 47 -6.349 0.871 -6.039 1.00 0.40 N ATOM 785 CA ALA A 47 -7.301 0.862 -7.166 1.00 61.13 C ATOM 786 C ALA A 47 -6.580 0.764 -8.538 1.00 3.31 C ATOM 787 O ALA A 47 -7.102 0.169 -9.477 1.00 42.32 O ATOM 788 CB ALA A 47 -8.179 2.116 -7.100 1.00 72.42 C ATOM 0 H ALA A 47 -6.362 1.734 -5.496 1.00 0.40 H new ATOM 0 HA ALA A 47 -7.927 -0.026 -7.077 1.00 61.13 H new ATOM 0 HB1 ALA A 47 -8.883 2.111 -7.932 1.00 72.42 H new ATOM 0 HB2 ALA A 47 -8.729 2.126 -6.159 1.00 72.42 H new ATOM 0 HB3 ALA A 47 -7.550 3.004 -7.162 1.00 72.42 H new ATOM 794 N LYS A 48 -5.371 1.341 -8.610 1.00 75.44 N ATOM 795 CA LYS A 48 -4.589 1.471 -9.863 1.00 31.12 C ATOM 796 C LYS A 48 -3.627 0.263 -10.092 1.00 24.21 C ATOM 797 O LYS A 48 -3.686 -0.407 -11.126 1.00 63.42 O ATOM 798 CB LYS A 48 -3.788 2.796 -9.780 1.00 0.11 C ATOM 799 CG LYS A 48 -3.252 3.358 -11.111 1.00 54.43 C ATOM 800 CD LYS A 48 -2.425 4.642 -10.871 1.00 3.35 C ATOM 801 CE LYS A 48 -2.120 5.444 -12.137 1.00 33.22 C ATOM 802 NZ LYS A 48 -1.251 6.616 -11.840 1.00 20.44 N ATOM 0 H LYS A 48 -4.899 1.736 -7.797 1.00 75.44 H new ATOM 0 HA LYS A 48 -5.273 1.479 -10.712 1.00 31.12 H new ATOM 0 HB2 LYS A 48 -4.425 3.552 -9.322 1.00 0.11 H new ATOM 0 HB3 LYS A 48 -2.943 2.643 -9.109 1.00 0.11 H new ATOM 0 HG2 LYS A 48 -2.633 2.609 -11.605 1.00 54.43 H new ATOM 0 HG3 LYS A 48 -4.084 3.576 -11.781 1.00 54.43 H new ATOM 0 HD2 LYS A 48 -2.964 5.281 -10.172 1.00 3.35 H new ATOM 0 HD3 LYS A 48 -1.484 4.369 -10.393 1.00 3.35 H new ATOM 0 HE2 LYS A 48 -1.629 4.801 -12.868 1.00 33.22 H new ATOM 0 HE3 LYS A 48 -3.052 5.785 -12.587 1.00 33.22 H new ATOM 0 HZ1 LYS A 48 -1.062 7.140 -12.718 1.00 20.44 H new ATOM 0 HZ2 LYS A 48 -1.731 7.241 -11.161 1.00 20.44 H new ATOM 0 HZ3 LYS A 48 -0.352 6.287 -11.433 1.00 20.44 H new ATOM 816 N TYR A 49 -2.746 -0.008 -9.103 1.00 24.33 N ATOM 817 CA TYR A 49 -1.634 -1.000 -9.227 1.00 75.12 C ATOM 818 C TYR A 49 -2.093 -2.471 -9.066 1.00 4.31 C ATOM 819 O TYR A 49 -1.447 -3.373 -9.607 1.00 3.43 O ATOM 820 CB TYR A 49 -0.488 -0.678 -8.216 1.00 51.43 C ATOM 821 CG TYR A 49 0.477 0.445 -8.652 1.00 43.03 C ATOM 822 CD1 TYR A 49 0.014 1.716 -8.997 1.00 52.13 C ATOM 823 CD2 TYR A 49 1.862 0.230 -8.702 1.00 71.14 C ATOM 824 CE1 TYR A 49 0.889 2.717 -9.382 1.00 13.43 C ATOM 825 CE2 TYR A 49 2.738 1.229 -9.085 1.00 4.35 C ATOM 826 CZ TYR A 49 2.250 2.470 -9.425 1.00 4.41 C ATOM 827 OH TYR A 49 3.122 3.474 -9.804 1.00 52.43 O ATOM 0 H TYR A 49 -2.779 0.451 -8.193 1.00 24.33 H new ATOM 0 HA TYR A 49 -1.260 -0.902 -10.246 1.00 75.12 H new ATOM 0 HB2 TYR A 49 -0.935 -0.401 -7.261 1.00 51.43 H new ATOM 0 HB3 TYR A 49 0.090 -1.586 -8.046 1.00 51.43 H new ATOM 0 HD1 TYR A 49 -1.046 1.922 -8.963 1.00 52.13 H new ATOM 0 HD2 TYR A 49 2.254 -0.740 -8.435 1.00 71.14 H new ATOM 0 HE1 TYR A 49 0.509 3.692 -9.649 1.00 13.43 H new ATOM 0 HE2 TYR A 49 3.800 1.036 -9.117 1.00 4.35 H new ATOM 0 HH TYR A 49 3.994 3.084 -10.024 1.00 52.43 H new ATOM 837 N LEU A 50 -3.192 -2.724 -8.328 1.00 21.43 N ATOM 838 CA LEU A 50 -3.739 -4.111 -8.186 1.00 32.14 C ATOM 839 C LEU A 50 -4.287 -4.658 -9.520 1.00 34.14 C ATOM 840 O LEU A 50 -4.387 -5.876 -9.692 1.00 24.52 O ATOM 841 CB LEU A 50 -4.819 -4.219 -7.072 1.00 33.22 C ATOM 842 CG LEU A 50 -4.285 -4.476 -5.628 1.00 53.42 C ATOM 843 CD1 LEU A 50 -3.467 -3.308 -5.078 1.00 72.43 C ATOM 844 CD2 LEU A 50 -5.428 -4.838 -4.678 1.00 1.41 C ATOM 0 H LEU A 50 -3.718 -2.009 -7.825 1.00 21.43 H new ATOM 0 HA LEU A 50 -2.894 -4.731 -7.886 1.00 32.14 H new ATOM 0 HB2 LEU A 50 -5.400 -3.297 -7.065 1.00 33.22 H new ATOM 0 HB3 LEU A 50 -5.504 -5.025 -7.334 1.00 33.22 H new ATOM 0 HG LEU A 50 -3.605 -5.325 -5.696 1.00 53.42 H new ATOM 0 HD11 LEU A 50 -3.124 -3.546 -4.071 1.00 72.43 H new ATOM 0 HD12 LEU A 50 -2.606 -3.131 -5.723 1.00 72.43 H new ATOM 0 HD13 LEU A 50 -4.087 -2.412 -5.047 1.00 72.43 H new ATOM 0 HD21 LEU A 50 -5.029 -5.012 -3.679 1.00 1.41 H new ATOM 0 HD22 LEU A 50 -6.146 -4.019 -4.644 1.00 1.41 H new ATOM 0 HD23 LEU A 50 -5.924 -5.741 -5.033 1.00 1.41 H new ATOM 856 N LYS A 51 -4.637 -3.750 -10.447 1.00 73.14 N ATOM 857 CA LYS A 51 -5.090 -4.117 -11.804 1.00 64.21 C ATOM 858 C LYS A 51 -3.975 -4.856 -12.590 1.00 72.20 C ATOM 859 O LYS A 51 -4.250 -5.844 -13.285 1.00 3.11 O ATOM 860 CB LYS A 51 -5.550 -2.855 -12.570 1.00 32.24 C ATOM 861 CG LYS A 51 -6.829 -2.219 -11.986 1.00 24.15 C ATOM 862 CD LYS A 51 -7.297 -0.979 -12.775 1.00 2.12 C ATOM 863 CE LYS A 51 -8.623 -0.422 -12.232 1.00 51.30 C ATOM 864 NZ LYS A 51 -9.758 -1.358 -12.440 1.00 52.15 N ATOM 0 H LYS A 51 -4.615 -2.744 -10.280 1.00 73.14 H new ATOM 0 HA LYS A 51 -5.934 -4.799 -11.707 1.00 64.21 H new ATOM 0 HB2 LYS A 51 -4.747 -2.118 -12.557 1.00 32.24 H new ATOM 0 HB3 LYS A 51 -5.726 -3.116 -13.614 1.00 32.24 H new ATOM 0 HG2 LYS A 51 -7.627 -2.961 -11.979 1.00 24.15 H new ATOM 0 HG3 LYS A 51 -6.647 -1.936 -10.949 1.00 24.15 H new ATOM 0 HD2 LYS A 51 -6.530 -0.206 -12.724 1.00 2.12 H new ATOM 0 HD3 LYS A 51 -7.417 -1.241 -13.826 1.00 2.12 H new ATOM 0 HE2 LYS A 51 -8.518 -0.214 -11.167 1.00 51.30 H new ATOM 0 HE3 LYS A 51 -8.843 0.526 -12.722 1.00 51.30 H new ATOM 0 HZ1 LYS A 51 -10.650 -0.881 -12.199 1.00 52.15 H new ATOM 0 HZ2 LYS A 51 -9.783 -1.657 -13.436 1.00 52.15 H new ATOM 0 HZ3 LYS A 51 -9.636 -2.192 -11.831 1.00 52.15 H new ATOM 878 N LYS A 52 -2.716 -4.363 -12.470 1.00 24.52 N ATOM 879 CA LYS A 52 -1.543 -5.002 -13.117 1.00 12.30 C ATOM 880 C LYS A 52 -0.905 -6.114 -12.237 1.00 60.21 C ATOM 881 O LYS A 52 -0.217 -6.993 -12.769 1.00 35.11 O ATOM 882 CB LYS A 52 -0.494 -3.925 -13.580 1.00 42.44 C ATOM 883 CG LYS A 52 0.152 -3.015 -12.489 1.00 12.52 C ATOM 884 CD LYS A 52 1.259 -3.716 -11.656 1.00 4.41 C ATOM 885 CE LYS A 52 2.013 -2.767 -10.712 1.00 12.01 C ATOM 886 NZ LYS A 52 2.930 -1.853 -11.443 1.00 34.35 N ATOM 0 H LYS A 52 -2.488 -3.527 -11.932 1.00 24.52 H new ATOM 0 HA LYS A 52 -1.906 -5.508 -14.012 1.00 12.30 H new ATOM 0 HB2 LYS A 52 0.310 -4.445 -14.101 1.00 42.44 H new ATOM 0 HB3 LYS A 52 -0.980 -3.278 -14.310 1.00 42.44 H new ATOM 0 HG2 LYS A 52 0.577 -2.134 -12.970 1.00 12.52 H new ATOM 0 HG3 LYS A 52 -0.629 -2.664 -11.814 1.00 12.52 H new ATOM 0 HD2 LYS A 52 0.808 -4.516 -11.069 1.00 4.41 H new ATOM 0 HD3 LYS A 52 1.973 -4.182 -12.335 1.00 4.41 H new ATOM 0 HE2 LYS A 52 1.294 -2.178 -10.143 1.00 12.01 H new ATOM 0 HE3 LYS A 52 2.585 -3.353 -9.993 1.00 12.01 H new ATOM 0 HZ1 LYS A 52 3.803 -1.724 -10.893 1.00 34.35 H new ATOM 0 HZ2 LYS A 52 3.163 -2.263 -12.370 1.00 34.35 H new ATOM 0 HZ3 LYS A 52 2.467 -0.932 -11.579 1.00 34.35 H new ATOM 900 N MET A 53 -1.126 -6.082 -10.897 1.00 62.14 N ATOM 901 CA MET A 53 -0.494 -7.059 -9.968 1.00 31.33 C ATOM 902 C MET A 53 -1.257 -8.407 -9.934 1.00 3.21 C ATOM 903 O MET A 53 -2.495 -8.449 -9.899 1.00 2.52 O ATOM 904 CB MET A 53 -0.315 -6.479 -8.526 1.00 15.43 C ATOM 905 CG MET A 53 0.942 -5.610 -8.343 1.00 31.24 C ATOM 906 SD MET A 53 1.312 -5.214 -6.616 1.00 51.44 S ATOM 907 CE MET A 53 -0.048 -4.140 -6.174 1.00 44.53 C ATOM 0 H MET A 53 -1.730 -5.399 -10.439 1.00 62.14 H new ATOM 0 HA MET A 53 0.502 -7.254 -10.365 1.00 31.33 H new ATOM 0 HB2 MET A 53 -1.193 -5.884 -8.275 1.00 15.43 H new ATOM 0 HB3 MET A 53 -0.277 -7.306 -7.817 1.00 15.43 H new ATOM 0 HG2 MET A 53 1.797 -6.128 -8.778 1.00 31.24 H new ATOM 0 HG3 MET A 53 0.815 -4.682 -8.900 1.00 31.24 H new ATOM 0 HE1 MET A 53 0.295 -3.396 -5.455 1.00 44.53 H new ATOM 0 HE2 MET A 53 -0.419 -3.637 -7.067 1.00 44.53 H new ATOM 0 HE3 MET A 53 -0.849 -4.731 -5.731 1.00 44.53 H new ATOM 917 N ASN A 54 -0.462 -9.490 -9.918 1.00 40.32 N ATOM 918 CA ASN A 54 -0.927 -10.890 -9.949 1.00 20.13 C ATOM 919 C ASN A 54 -0.984 -11.462 -8.497 1.00 74.22 C ATOM 920 O ASN A 54 -0.541 -10.794 -7.555 1.00 51.32 O ATOM 921 CB ASN A 54 0.041 -11.681 -10.885 1.00 22.22 C ATOM 922 CG ASN A 54 -0.390 -13.114 -11.186 1.00 44.35 C ATOM 923 OD1 ASN A 54 0.095 -14.066 -10.413 1.00 43.44 O flip ATOM 924 ND2 ASN A 54 -1.132 -13.364 -12.123 1.00 42.23 N flip ATOM 0 H ASN A 54 0.555 -9.415 -9.882 1.00 40.32 H new ATOM 0 HA ASN A 54 -1.939 -10.976 -10.345 1.00 20.13 H new ATOM 0 HB2 ASN A 54 0.137 -11.140 -11.826 1.00 22.22 H new ATOM 0 HB3 ASN A 54 1.030 -11.702 -10.427 1.00 22.22 H new ATOM 0 HD21 ASN A 54 -1.492 -12.607 -12.704 1.00 42.23 H new ATOM 0 HD22 ASN A 54 -1.392 -14.330 -12.324 1.00 42.23 H new ATOM 931 N GLU A 55 -1.491 -12.707 -8.343 1.00 51.25 N ATOM 932 CA GLU A 55 -1.842 -13.338 -7.033 1.00 54.13 C ATOM 933 C GLU A 55 -0.731 -13.201 -5.953 1.00 45.14 C ATOM 934 O GLU A 55 -1.005 -12.816 -4.811 1.00 54.34 O ATOM 935 CB GLU A 55 -2.149 -14.861 -7.223 1.00 22.42 C ATOM 936 CG GLU A 55 -3.367 -15.216 -8.108 1.00 3.22 C ATOM 937 CD GLU A 55 -3.148 -15.030 -9.618 1.00 2.43 C ATOM 938 OE1 GLU A 55 -2.486 -15.893 -10.236 1.00 3.55 O ATOM 939 OE2 GLU A 55 -3.622 -14.022 -10.189 1.00 14.35 O ATOM 0 H GLU A 55 -1.674 -13.320 -9.137 1.00 51.25 H new ATOM 0 HA GLU A 55 -2.720 -12.798 -6.680 1.00 54.13 H new ATOM 0 HB2 GLU A 55 -1.266 -15.336 -7.652 1.00 22.42 H new ATOM 0 HB3 GLU A 55 -2.302 -15.303 -6.239 1.00 22.42 H new ATOM 0 HG2 GLU A 55 -3.643 -16.254 -7.921 1.00 3.22 H new ATOM 0 HG3 GLU A 55 -4.213 -14.601 -7.800 1.00 3.22 H new ATOM 946 N GLU A 56 0.510 -13.506 -6.350 1.00 3.21 N ATOM 947 CA GLU A 56 1.676 -13.566 -5.434 1.00 33.24 C ATOM 948 C GLU A 56 2.107 -12.143 -4.975 1.00 52.51 C ATOM 949 O GLU A 56 2.513 -11.938 -3.825 1.00 64.14 O ATOM 950 CB GLU A 56 2.841 -14.295 -6.162 1.00 72.15 C ATOM 951 CG GLU A 56 2.454 -15.656 -6.797 1.00 22.41 C ATOM 952 CD GLU A 56 3.447 -16.145 -7.876 1.00 75.22 C ATOM 953 OE1 GLU A 56 3.412 -15.607 -9.007 1.00 75.53 O ATOM 954 OE2 GLU A 56 4.254 -17.064 -7.604 1.00 51.13 O ATOM 0 H GLU A 56 0.744 -13.721 -7.319 1.00 3.21 H new ATOM 0 HA GLU A 56 1.403 -14.119 -4.535 1.00 33.24 H new ATOM 0 HB2 GLU A 56 3.229 -13.642 -6.943 1.00 72.15 H new ATOM 0 HB3 GLU A 56 3.651 -14.458 -5.451 1.00 72.15 H new ATOM 0 HG2 GLU A 56 2.387 -16.408 -6.010 1.00 22.41 H new ATOM 0 HG3 GLU A 56 1.462 -15.570 -7.241 1.00 22.41 H new ATOM 961 N GLU A 57 2.022 -11.171 -5.905 1.00 72.11 N ATOM 962 CA GLU A 57 2.304 -9.734 -5.632 1.00 35.24 C ATOM 963 C GLU A 57 1.278 -9.128 -4.630 1.00 30.43 C ATOM 964 O GLU A 57 1.641 -8.355 -3.732 1.00 52.14 O ATOM 965 CB GLU A 57 2.277 -8.941 -6.967 1.00 74.52 C ATOM 966 CG GLU A 57 3.311 -9.402 -8.014 1.00 11.42 C ATOM 967 CD GLU A 57 3.167 -8.688 -9.372 1.00 61.11 C ATOM 968 OE1 GLU A 57 3.650 -7.543 -9.510 1.00 31.50 O ATOM 969 OE2 GLU A 57 2.562 -9.264 -10.308 1.00 34.42 O ATOM 0 H GLU A 57 1.755 -11.354 -6.872 1.00 72.11 H new ATOM 0 HA GLU A 57 3.292 -9.660 -5.177 1.00 35.24 H new ATOM 0 HB2 GLU A 57 1.280 -9.022 -7.401 1.00 74.52 H new ATOM 0 HB3 GLU A 57 2.446 -7.886 -6.750 1.00 74.52 H new ATOM 0 HG2 GLU A 57 4.314 -9.227 -7.625 1.00 11.42 H new ATOM 0 HG3 GLU A 57 3.210 -10.477 -8.165 1.00 11.42 H new ATOM 976 N LEU A 58 -0.004 -9.497 -4.814 1.00 35.15 N ATOM 977 CA LEU A 58 -1.130 -9.073 -3.932 1.00 42.14 C ATOM 978 C LEU A 58 -0.932 -9.492 -2.445 1.00 23.33 C ATOM 979 O LEU A 58 -1.431 -8.824 -1.535 1.00 25.40 O ATOM 980 CB LEU A 58 -2.480 -9.631 -4.478 1.00 62.23 C ATOM 981 CG LEU A 58 -2.858 -9.205 -5.935 1.00 72.42 C ATOM 982 CD1 LEU A 58 -4.253 -9.717 -6.348 1.00 72.13 C ATOM 983 CD2 LEU A 58 -2.751 -7.683 -6.118 1.00 31.03 C ATOM 0 H LEU A 58 -0.299 -10.101 -5.581 1.00 35.15 H new ATOM 0 HA LEU A 58 -1.149 -7.983 -3.948 1.00 42.14 H new ATOM 0 HB2 LEU A 58 -2.444 -10.720 -4.437 1.00 62.23 H new ATOM 0 HB3 LEU A 58 -3.279 -9.313 -3.809 1.00 62.23 H new ATOM 0 HG LEU A 58 -2.134 -9.676 -6.600 1.00 72.42 H new ATOM 0 HD11 LEU A 58 -4.471 -9.397 -7.367 1.00 72.13 H new ATOM 0 HD12 LEU A 58 -4.270 -10.806 -6.299 1.00 72.13 H new ATOM 0 HD13 LEU A 58 -5.005 -9.311 -5.671 1.00 72.13 H new ATOM 0 HD21 LEU A 58 -3.020 -7.420 -7.141 1.00 31.03 H new ATOM 0 HD22 LEU A 58 -3.429 -7.185 -5.425 1.00 31.03 H new ATOM 0 HD23 LEU A 58 -1.728 -7.364 -5.918 1.00 31.03 H new ATOM 995 N GLU A 59 -0.210 -10.605 -2.214 1.00 62.35 N ATOM 996 CA GLU A 59 0.103 -11.098 -0.848 1.00 45.41 C ATOM 997 C GLU A 59 1.094 -10.165 -0.112 1.00 74.21 C ATOM 998 O GLU A 59 0.965 -9.935 1.099 1.00 31.34 O ATOM 999 CB GLU A 59 0.682 -12.530 -0.921 1.00 60.44 C ATOM 1000 CG GLU A 59 -0.202 -13.533 -1.684 1.00 55.04 C ATOM 1001 CD GLU A 59 0.369 -14.960 -1.743 1.00 61.51 C ATOM 1002 OE1 GLU A 59 1.591 -15.122 -1.947 1.00 13.32 O ATOM 1003 OE2 GLU A 59 -0.411 -15.930 -1.621 1.00 64.53 O ATOM 0 H GLU A 59 0.173 -11.188 -2.959 1.00 62.35 H new ATOM 0 HA GLU A 59 -0.827 -11.108 -0.280 1.00 45.41 H new ATOM 0 HB2 GLU A 59 1.661 -12.490 -1.399 1.00 60.44 H new ATOM 0 HB3 GLU A 59 0.837 -12.899 0.093 1.00 60.44 H new ATOM 0 HG2 GLU A 59 -1.184 -13.566 -1.213 1.00 55.04 H new ATOM 0 HG3 GLU A 59 -0.349 -13.170 -2.701 1.00 55.04 H new ATOM 1010 N GLU A 60 2.089 -9.642 -0.857 1.00 40.42 N ATOM 1011 CA GLU A 60 3.063 -8.657 -0.326 1.00 52.44 C ATOM 1012 C GLU A 60 2.350 -7.328 0.017 1.00 52.53 C ATOM 1013 O GLU A 60 2.711 -6.643 0.983 1.00 1.31 O ATOM 1014 CB GLU A 60 4.218 -8.431 -1.346 1.00 24.40 C ATOM 1015 CG GLU A 60 5.374 -7.531 -0.839 1.00 31.40 C ATOM 1016 CD GLU A 60 6.597 -7.497 -1.781 1.00 62.23 C ATOM 1017 OE1 GLU A 60 7.185 -8.571 -2.039 1.00 34.31 O ATOM 1018 OE2 GLU A 60 6.979 -6.413 -2.273 1.00 4.13 O ATOM 0 H GLU A 60 2.242 -9.886 -1.836 1.00 40.42 H new ATOM 0 HA GLU A 60 3.499 -9.052 0.592 1.00 52.44 H new ATOM 0 HB2 GLU A 60 4.629 -9.401 -1.627 1.00 24.40 H new ATOM 0 HB3 GLU A 60 3.802 -7.987 -2.250 1.00 24.40 H new ATOM 0 HG2 GLU A 60 5.000 -6.516 -0.707 1.00 31.40 H new ATOM 0 HG3 GLU A 60 5.693 -7.883 0.142 1.00 31.40 H new ATOM 1025 N TYR A 61 1.318 -6.979 -0.783 1.00 65.44 N ATOM 1026 CA TYR A 61 0.482 -5.787 -0.531 1.00 45.25 C ATOM 1027 C TYR A 61 -0.367 -5.938 0.755 1.00 75.21 C ATOM 1028 O TYR A 61 -0.523 -4.979 1.522 1.00 42.54 O ATOM 1029 CB TYR A 61 -0.424 -5.479 -1.744 1.00 73.54 C ATOM 1030 CG TYR A 61 -1.141 -4.132 -1.609 1.00 64.22 C ATOM 1031 CD1 TYR A 61 -0.400 -2.957 -1.483 1.00 51.11 C ATOM 1032 CD2 TYR A 61 -2.532 -4.028 -1.571 1.00 4.32 C ATOM 1033 CE1 TYR A 61 -1.009 -1.740 -1.339 1.00 12.01 C ATOM 1034 CE2 TYR A 61 -3.148 -2.799 -1.428 1.00 50.41 C ATOM 1035 CZ TYR A 61 -2.373 -1.658 -1.316 1.00 33.21 C ATOM 1036 OH TYR A 61 -2.963 -0.430 -1.185 1.00 64.33 O ATOM 0 H TYR A 61 1.045 -7.509 -1.611 1.00 65.44 H new ATOM 0 HA TYR A 61 1.160 -4.947 -0.382 1.00 45.25 H new ATOM 0 HB2 TYR A 61 0.178 -5.478 -2.653 1.00 73.54 H new ATOM 0 HB3 TYR A 61 -1.164 -6.272 -1.853 1.00 73.54 H new ATOM 0 HD1 TYR A 61 0.679 -3.009 -1.499 1.00 51.11 H new ATOM 0 HD2 TYR A 61 -3.135 -4.920 -1.654 1.00 4.32 H new ATOM 0 HE1 TYR A 61 -0.412 -0.845 -1.244 1.00 12.01 H new ATOM 0 HE2 TYR A 61 -4.226 -2.730 -1.404 1.00 50.41 H new ATOM 0 HH TYR A 61 -2.301 0.271 -1.360 1.00 64.33 H new ATOM 1046 N ASP A 62 -0.905 -7.150 0.971 1.00 42.04 N ATOM 1047 CA ASP A 62 -1.688 -7.488 2.181 1.00 61.11 C ATOM 1048 C ASP A 62 -0.838 -7.282 3.466 1.00 62.41 C ATOM 1049 O ASP A 62 -1.349 -6.845 4.500 1.00 34.42 O ATOM 1050 CB ASP A 62 -2.212 -8.947 2.062 1.00 31.21 C ATOM 1051 CG ASP A 62 -3.188 -9.353 3.184 1.00 21.10 C ATOM 1052 OD1 ASP A 62 -4.271 -8.733 3.299 1.00 41.24 O ATOM 1053 OD2 ASP A 62 -2.897 -10.311 3.934 1.00 62.43 O ATOM 0 H ASP A 62 -0.812 -7.925 0.315 1.00 42.04 H new ATOM 0 HA ASP A 62 -2.545 -6.818 2.259 1.00 61.11 H new ATOM 0 HB2 ASP A 62 -2.710 -9.067 1.100 1.00 31.21 H new ATOM 0 HB3 ASP A 62 -1.362 -9.630 2.068 1.00 31.21 H new ATOM 1058 N SER A 63 0.475 -7.561 3.353 1.00 41.14 N ATOM 1059 CA SER A 63 1.468 -7.319 4.429 1.00 25.41 C ATOM 1060 C SER A 63 1.601 -5.808 4.784 1.00 73.00 C ATOM 1061 O SER A 63 1.756 -5.456 5.957 1.00 65.42 O ATOM 1062 CB SER A 63 2.845 -7.887 4.015 1.00 30.14 C ATOM 1063 OG SER A 63 2.763 -9.266 3.678 1.00 63.31 O ATOM 0 H SER A 63 0.883 -7.963 2.509 1.00 41.14 H new ATOM 0 HA SER A 63 1.110 -7.832 5.322 1.00 25.41 H new ATOM 0 HB2 SER A 63 3.229 -7.326 3.163 1.00 30.14 H new ATOM 0 HB3 SER A 63 3.555 -7.753 4.831 1.00 30.14 H new ATOM 0 HG SER A 63 2.264 -9.369 2.841 1.00 63.31 H new ATOM 1069 N LEU A 64 1.532 -4.924 3.760 1.00 11.41 N ATOM 1070 CA LEU A 64 1.665 -3.446 3.939 1.00 63.23 C ATOM 1071 C LEU A 64 0.474 -2.847 4.729 1.00 23.04 C ATOM 1072 O LEU A 64 0.623 -1.858 5.456 1.00 32.35 O ATOM 1073 CB LEU A 64 1.794 -2.751 2.550 1.00 4.54 C ATOM 1074 CG LEU A 64 2.075 -1.212 2.562 1.00 54.10 C ATOM 1075 CD1 LEU A 64 3.429 -0.881 3.239 1.00 11.04 C ATOM 1076 CD2 LEU A 64 1.993 -0.608 1.136 1.00 20.33 C ATOM 0 H LEU A 64 1.384 -5.206 2.791 1.00 11.41 H new ATOM 0 HA LEU A 64 2.567 -3.264 4.523 1.00 63.23 H new ATOM 0 HB2 LEU A 64 2.596 -3.240 1.997 1.00 4.54 H new ATOM 0 HB3 LEU A 64 0.872 -2.925 1.995 1.00 4.54 H new ATOM 0 HG LEU A 64 1.292 -0.747 3.161 1.00 54.10 H new ATOM 0 HD11 LEU A 64 3.588 0.197 3.227 1.00 11.04 H new ATOM 0 HD12 LEU A 64 3.416 -1.235 4.270 1.00 11.04 H new ATOM 0 HD13 LEU A 64 4.237 -1.372 2.697 1.00 11.04 H new ATOM 0 HD21 LEU A 64 2.193 0.462 1.182 1.00 20.33 H new ATOM 0 HD22 LEU A 64 2.732 -1.088 0.494 1.00 20.33 H new ATOM 0 HD23 LEU A 64 0.996 -0.773 0.728 1.00 20.33 H new ATOM 1088 N LEU A 65 -0.705 -3.469 4.578 1.00 34.54 N ATOM 1089 CA LEU A 65 -1.954 -3.023 5.242 1.00 34.30 C ATOM 1090 C LEU A 65 -1.907 -3.223 6.785 1.00 32.25 C ATOM 1091 O LEU A 65 -2.641 -2.558 7.525 1.00 40.54 O ATOM 1092 CB LEU A 65 -3.160 -3.776 4.622 1.00 54.14 C ATOM 1093 CG LEU A 65 -3.252 -3.735 3.061 1.00 24.55 C ATOM 1094 CD1 LEU A 65 -4.448 -4.553 2.545 1.00 53.05 C ATOM 1095 CD2 LEU A 65 -3.286 -2.283 2.530 1.00 63.21 C ATOM 0 H LEU A 65 -0.827 -4.296 3.994 1.00 34.54 H new ATOM 0 HA LEU A 65 -2.065 -1.952 5.074 1.00 34.30 H new ATOM 0 HB2 LEU A 65 -3.116 -4.818 4.938 1.00 54.14 H new ATOM 0 HB3 LEU A 65 -4.078 -3.356 5.033 1.00 54.14 H new ATOM 0 HG LEU A 65 -2.347 -4.200 2.671 1.00 24.55 H new ATOM 0 HD11 LEU A 65 -4.481 -4.502 1.457 1.00 53.05 H new ATOM 0 HD12 LEU A 65 -4.340 -5.592 2.857 1.00 53.05 H new ATOM 0 HD13 LEU A 65 -5.372 -4.145 2.955 1.00 53.05 H new ATOM 0 HD21 LEU A 65 -3.350 -2.295 1.442 1.00 63.21 H new ATOM 0 HD22 LEU A 65 -4.154 -1.766 2.939 1.00 63.21 H new ATOM 0 HD23 LEU A 65 -2.378 -1.763 2.834 1.00 63.21 H new ATOM 1107 N ASN A 66 -1.020 -4.128 7.261 1.00 21.41 N ATOM 1108 CA ASN A 66 -0.822 -4.386 8.713 1.00 63.35 C ATOM 1109 C ASN A 66 0.129 -3.343 9.365 1.00 2.35 C ATOM 1110 O ASN A 66 0.298 -3.340 10.591 1.00 22.22 O ATOM 1111 CB ASN A 66 -0.267 -5.814 8.949 1.00 1.34 C ATOM 1112 CG ASN A 66 -1.141 -6.906 8.333 1.00 11.41 C ATOM 1113 OD1 ASN A 66 -0.792 -7.342 7.143 1.00 1.23 O flip ATOM 1114 ND2 ASN A 66 -2.106 -7.365 8.931 1.00 44.13 N flip ATOM 0 H ASN A 66 -0.425 -4.697 6.659 1.00 21.41 H new ATOM 0 HA ASN A 66 -1.800 -4.296 9.186 1.00 63.35 H new ATOM 0 HB2 ASN A 66 0.737 -5.881 8.530 1.00 1.34 H new ATOM 0 HB3 ASN A 66 -0.177 -5.990 10.021 1.00 1.34 H new ATOM 0 HD21 ASN A 66 -2.352 -7.006 9.853 1.00 44.13 H new ATOM 0 HD22 ASN A 66 -2.664 -8.106 8.507 1.00 44.13 H new ATOM 1121 N GLU A 67 0.739 -2.464 8.545 1.00 41.21 N ATOM 1122 CA GLU A 67 1.637 -1.392 9.036 1.00 0.54 C ATOM 1123 C GLU A 67 0.819 -0.123 9.400 1.00 12.24 C ATOM 1124 O GLU A 67 -0.342 0.021 8.990 1.00 25.50 O ATOM 1125 CB GLU A 67 2.715 -1.057 7.961 1.00 33.24 C ATOM 1126 CG GLU A 67 3.467 -2.275 7.376 1.00 64.32 C ATOM 1127 CD GLU A 67 4.218 -3.117 8.426 1.00 51.35 C ATOM 1128 OE1 GLU A 67 5.360 -2.761 8.788 1.00 54.22 O ATOM 1129 OE2 GLU A 67 3.675 -4.143 8.894 1.00 12.13 O ATOM 0 H GLU A 67 0.626 -2.474 7.531 1.00 41.21 H new ATOM 0 HA GLU A 67 2.141 -1.745 9.935 1.00 0.54 H new ATOM 0 HB2 GLU A 67 2.234 -0.521 7.143 1.00 33.24 H new ATOM 0 HB3 GLU A 67 3.445 -0.378 8.402 1.00 33.24 H new ATOM 0 HG2 GLU A 67 2.753 -2.914 6.857 1.00 64.32 H new ATOM 0 HG3 GLU A 67 4.180 -1.924 6.630 1.00 64.32 H new ATOM 1136 N LEU A 68 1.435 0.800 10.159 1.00 63.01 N ATOM 1137 CA LEU A 68 0.763 2.045 10.609 1.00 42.14 C ATOM 1138 C LEU A 68 0.779 3.116 9.500 1.00 44.34 C ATOM 1139 O LEU A 68 1.797 3.290 8.831 1.00 15.10 O ATOM 1140 CB LEU A 68 1.433 2.594 11.891 1.00 4.14 C ATOM 1141 CG LEU A 68 1.431 1.639 13.129 1.00 52.12 C ATOM 1142 CD1 LEU A 68 2.162 2.281 14.328 1.00 4.22 C ATOM 1143 CD2 LEU A 68 -0.010 1.225 13.503 1.00 63.23 C ATOM 0 H LEU A 68 2.400 0.712 10.478 1.00 63.01 H new ATOM 0 HA LEU A 68 -0.275 1.801 10.834 1.00 42.14 H new ATOM 0 HB2 LEU A 68 2.466 2.850 11.656 1.00 4.14 H new ATOM 0 HB3 LEU A 68 0.931 3.520 12.171 1.00 4.14 H new ATOM 0 HG LEU A 68 1.977 0.735 12.859 1.00 52.12 H new ATOM 0 HD11 LEU A 68 2.145 1.595 15.175 1.00 4.22 H new ATOM 0 HD12 LEU A 68 3.195 2.493 14.053 1.00 4.22 H new ATOM 0 HD13 LEU A 68 1.662 3.210 14.604 1.00 4.22 H new ATOM 0 HD21 LEU A 68 0.015 0.561 14.367 1.00 63.23 H new ATOM 0 HD22 LEU A 68 -0.593 2.114 13.745 1.00 63.23 H new ATOM 0 HD23 LEU A 68 -0.470 0.708 12.661 1.00 63.23 H new ATOM 1155 N ASP A 69 -0.361 3.811 9.324 1.00 13.20 N ATOM 1156 CA ASP A 69 -0.545 4.859 8.290 1.00 13.35 C ATOM 1157 C ASP A 69 0.622 5.897 8.229 1.00 30.32 C ATOM 1158 O ASP A 69 1.198 6.109 7.154 1.00 54.34 O ATOM 1159 CB ASP A 69 -1.921 5.558 8.483 1.00 3.13 C ATOM 1160 CG ASP A 69 -2.190 5.982 9.933 1.00 72.21 C ATOM 1161 OD1 ASP A 69 -2.707 5.152 10.713 1.00 51.32 O ATOM 1162 OD2 ASP A 69 -1.881 7.129 10.301 1.00 50.22 O ATOM 0 H ASP A 69 -1.191 3.663 9.899 1.00 13.20 H new ATOM 0 HA ASP A 69 -0.528 4.356 7.323 1.00 13.35 H new ATOM 0 HB2 ASP A 69 -1.967 6.437 7.840 1.00 3.13 H new ATOM 0 HB3 ASP A 69 -2.712 4.883 8.157 1.00 3.13 H new ATOM 1167 N TRP A 70 0.982 6.506 9.383 1.00 4.32 N ATOM 1168 CA TRP A 70 2.113 7.477 9.463 1.00 31.52 C ATOM 1169 C TRP A 70 3.445 6.870 8.959 1.00 3.44 C ATOM 1170 O TRP A 70 4.164 7.517 8.193 1.00 74.52 O ATOM 1171 CB TRP A 70 2.297 8.044 10.902 1.00 63.13 C ATOM 1172 CG TRP A 70 1.356 9.175 11.255 1.00 10.24 C ATOM 1173 CD1 TRP A 70 0.383 9.186 12.214 1.00 13.01 C ATOM 1174 CD2 TRP A 70 1.321 10.476 10.637 1.00 22.23 C ATOM 1175 NE1 TRP A 70 -0.241 10.407 12.237 1.00 2.43 N ATOM 1176 CE2 TRP A 70 0.311 11.211 11.273 1.00 1.55 C ATOM 1177 CE3 TRP A 70 2.045 11.082 9.598 1.00 43.22 C ATOM 1178 CZ2 TRP A 70 0.010 12.523 10.917 1.00 72.54 C ATOM 1179 CZ3 TRP A 70 1.742 12.382 9.242 1.00 60.21 C ATOM 1180 CH2 TRP A 70 0.730 13.090 9.897 1.00 62.43 C ATOM 0 H TRP A 70 0.510 6.346 10.273 1.00 4.32 H new ATOM 0 HA TRP A 70 1.845 8.301 8.802 1.00 31.52 H new ATOM 0 HB2 TRP A 70 2.157 7.235 11.619 1.00 63.13 H new ATOM 0 HB3 TRP A 70 3.323 8.394 11.013 1.00 63.13 H new ATOM 0 HD1 TRP A 70 0.141 8.355 12.860 1.00 13.01 H new ATOM 0 HE1 TRP A 70 -0.995 10.674 12.870 1.00 2.43 H new ATOM 0 HE3 TRP A 70 2.826 10.541 9.085 1.00 43.22 H new ATOM 0 HZ2 TRP A 70 -0.765 13.076 11.427 1.00 72.54 H new ATOM 0 HZ3 TRP A 70 2.295 12.858 8.446 1.00 60.21 H new ATOM 0 HH2 TRP A 70 0.511 14.103 9.594 1.00 62.43 H new ATOM 1191 N ASP A 71 3.750 5.621 9.371 1.00 2.31 N ATOM 1192 CA ASP A 71 4.985 4.922 8.946 1.00 41.34 C ATOM 1193 C ASP A 71 5.006 4.711 7.416 1.00 31.02 C ATOM 1194 O ASP A 71 5.965 5.101 6.750 1.00 41.42 O ATOM 1195 CB ASP A 71 5.122 3.578 9.695 1.00 61.31 C ATOM 1196 CG ASP A 71 5.426 3.782 11.185 1.00 71.22 C ATOM 1197 OD1 ASP A 71 4.485 3.885 11.991 1.00 61.10 O ATOM 1198 OD2 ASP A 71 6.616 3.874 11.554 1.00 11.42 O ATOM 0 H ASP A 71 3.159 5.075 9.998 1.00 2.31 H new ATOM 0 HA ASP A 71 5.840 5.547 9.202 1.00 41.34 H new ATOM 0 HB2 ASP A 71 4.200 3.007 9.587 1.00 61.31 H new ATOM 0 HB3 ASP A 71 5.917 2.988 9.240 1.00 61.31 H new ATOM 1203 N ILE A 72 3.904 4.141 6.877 1.00 62.34 N ATOM 1204 CA ILE A 72 3.698 3.939 5.412 1.00 11.41 C ATOM 1205 C ILE A 72 3.923 5.259 4.622 1.00 14.42 C ATOM 1206 O ILE A 72 4.505 5.254 3.531 1.00 51.15 O ATOM 1207 CB ILE A 72 2.241 3.389 5.119 1.00 13.13 C ATOM 1208 CG1 ILE A 72 1.992 2.030 5.852 1.00 2.24 C ATOM 1209 CG2 ILE A 72 1.965 3.251 3.598 1.00 71.14 C ATOM 1210 CD1 ILE A 72 0.564 1.495 5.757 1.00 32.53 C ATOM 0 H ILE A 72 3.125 3.804 7.443 1.00 62.34 H new ATOM 0 HA ILE A 72 4.432 3.205 5.080 1.00 11.41 H new ATOM 0 HB ILE A 72 1.539 4.125 5.512 1.00 13.13 H new ATOM 0 HG12 ILE A 72 2.671 1.283 5.441 1.00 2.24 H new ATOM 0 HG13 ILE A 72 2.249 2.150 6.904 1.00 2.24 H new ATOM 0 HG21 ILE A 72 0.955 2.871 3.445 1.00 71.14 H new ATOM 0 HG22 ILE A 72 2.062 4.226 3.121 1.00 71.14 H new ATOM 0 HG23 ILE A 72 2.684 2.559 3.159 1.00 71.14 H new ATOM 0 HD11 ILE A 72 0.493 0.550 6.296 1.00 32.53 H new ATOM 0 HD12 ILE A 72 -0.125 2.216 6.197 1.00 32.53 H new ATOM 0 HD13 ILE A 72 0.304 1.336 4.710 1.00 32.53 H new ATOM 1222 N TYR A 73 3.478 6.382 5.217 1.00 2.33 N ATOM 1223 CA TYR A 73 3.589 7.717 4.601 1.00 4.42 C ATOM 1224 C TYR A 73 5.064 8.192 4.531 1.00 3.44 C ATOM 1225 O TYR A 73 5.516 8.631 3.484 1.00 34.22 O ATOM 1226 CB TYR A 73 2.717 8.739 5.379 1.00 64.31 C ATOM 1227 CG TYR A 73 2.489 10.064 4.633 1.00 40.14 C ATOM 1228 CD1 TYR A 73 1.711 10.092 3.469 1.00 33.45 C ATOM 1229 CD2 TYR A 73 3.053 11.270 5.067 1.00 22.01 C ATOM 1230 CE1 TYR A 73 1.502 11.266 2.773 1.00 21.54 C ATOM 1231 CE2 TYR A 73 2.845 12.449 4.370 1.00 42.40 C ATOM 1232 CZ TYR A 73 2.072 12.440 3.224 1.00 24.34 C ATOM 1233 OH TYR A 73 1.861 13.611 2.522 1.00 61.34 O ATOM 0 H TYR A 73 3.033 6.389 6.135 1.00 2.33 H new ATOM 0 HA TYR A 73 3.221 7.648 3.577 1.00 4.42 H new ATOM 0 HB2 TYR A 73 1.750 8.285 5.596 1.00 64.31 H new ATOM 0 HB3 TYR A 73 3.192 8.951 6.337 1.00 64.31 H new ATOM 0 HD1 TYR A 73 1.265 9.177 3.108 1.00 33.45 H new ATOM 0 HD2 TYR A 73 3.660 11.281 5.960 1.00 22.01 H new ATOM 0 HE1 TYR A 73 0.895 11.266 1.880 1.00 21.54 H new ATOM 0 HE2 TYR A 73 3.285 13.371 4.720 1.00 42.40 H new ATOM 0 HH TYR A 73 2.328 14.348 2.968 1.00 61.34 H new ATOM 1243 N TYR A 74 5.813 8.058 5.643 1.00 31.31 N ATOM 1244 CA TYR A 74 7.223 8.537 5.721 1.00 61.23 C ATOM 1245 C TYR A 74 8.198 7.620 4.951 1.00 14.25 C ATOM 1246 O TYR A 74 9.316 8.039 4.623 1.00 63.33 O ATOM 1247 CB TYR A 74 7.682 8.685 7.190 1.00 73.44 C ATOM 1248 CG TYR A 74 6.929 9.772 7.975 1.00 14.31 C ATOM 1249 CD1 TYR A 74 6.936 11.100 7.542 1.00 45.14 C ATOM 1250 CD2 TYR A 74 6.228 9.479 9.145 1.00 43.32 C ATOM 1251 CE1 TYR A 74 6.269 12.086 8.239 1.00 33.50 C ATOM 1252 CE2 TYR A 74 5.555 10.462 9.842 1.00 25.30 C ATOM 1253 CZ TYR A 74 5.581 11.764 9.392 1.00 33.34 C ATOM 1254 OH TYR A 74 4.915 12.750 10.091 1.00 14.10 O ATOM 0 H TYR A 74 5.474 7.624 6.502 1.00 31.31 H new ATOM 0 HA TYR A 74 7.244 9.517 5.244 1.00 61.23 H new ATOM 0 HB2 TYR A 74 7.553 7.729 7.698 1.00 73.44 H new ATOM 0 HB3 TYR A 74 8.748 8.913 7.206 1.00 73.44 H new ATOM 0 HD1 TYR A 74 7.475 11.360 6.643 1.00 45.14 H new ATOM 0 HD2 TYR A 74 6.212 8.464 9.512 1.00 43.32 H new ATOM 0 HE1 TYR A 74 6.285 13.106 7.884 1.00 33.50 H new ATOM 0 HE2 TYR A 74 5.009 10.211 10.739 1.00 25.30 H new ATOM 0 HH TYR A 74 3.949 12.646 9.964 1.00 14.10 H new ATOM 1264 N TRP A 75 7.777 6.368 4.697 1.00 43.23 N ATOM 1265 CA TRP A 75 8.521 5.432 3.831 1.00 35.22 C ATOM 1266 C TRP A 75 8.300 5.778 2.336 1.00 21.31 C ATOM 1267 O TRP A 75 9.246 5.779 1.537 1.00 44.42 O ATOM 1268 CB TRP A 75 8.096 3.968 4.102 1.00 3.34 C ATOM 1269 CG TRP A 75 8.300 3.461 5.513 1.00 50.41 C ATOM 1270 CD1 TRP A 75 9.216 3.886 6.445 1.00 62.33 C ATOM 1271 CD2 TRP A 75 7.570 2.393 6.137 1.00 14.44 C ATOM 1272 NE1 TRP A 75 9.082 3.157 7.600 1.00 34.15 N ATOM 1273 CE2 TRP A 75 8.080 2.237 7.435 1.00 3.31 C ATOM 1274 CE3 TRP A 75 6.526 1.562 5.714 1.00 2.33 C ATOM 1275 CZ2 TRP A 75 7.583 1.280 8.318 1.00 51.42 C ATOM 1276 CZ3 TRP A 75 6.033 0.617 6.589 1.00 74.03 C ATOM 1277 CH2 TRP A 75 6.560 0.482 7.881 1.00 62.41 C ATOM 0 H TRP A 75 6.917 5.977 5.083 1.00 43.23 H new ATOM 0 HA TRP A 75 9.581 5.534 4.064 1.00 35.22 H new ATOM 0 HB2 TRP A 75 7.040 3.866 3.851 1.00 3.34 H new ATOM 0 HB3 TRP A 75 8.649 3.320 3.422 1.00 3.34 H new ATOM 0 HD1 TRP A 75 9.935 4.677 6.291 1.00 62.33 H new ATOM 0 HE1 TRP A 75 9.639 3.280 8.446 1.00 34.15 H new ATOM 0 HE3 TRP A 75 6.114 1.659 4.720 1.00 2.33 H new ATOM 0 HZ2 TRP A 75 7.991 1.172 9.312 1.00 51.42 H new ATOM 0 HZ3 TRP A 75 5.228 -0.030 6.274 1.00 74.03 H new ATOM 0 HH2 TRP A 75 6.151 -0.266 8.544 1.00 62.41 H new ATOM 1288 N ALA A 76 7.029 6.052 1.974 1.00 14.10 N ATOM 1289 CA ALA A 76 6.641 6.447 0.600 1.00 2.54 C ATOM 1290 C ALA A 76 7.183 7.852 0.249 1.00 33.43 C ATOM 1291 O ALA A 76 8.083 7.988 -0.587 1.00 52.45 O ATOM 1292 CB ALA A 76 5.117 6.408 0.450 1.00 60.14 C ATOM 0 H ALA A 76 6.243 6.006 2.623 1.00 14.10 H new ATOM 0 HA ALA A 76 7.083 5.734 -0.096 1.00 2.54 H new ATOM 0 HB1 ALA A 76 4.844 6.700 -0.564 1.00 60.14 H new ATOM 0 HB2 ALA A 76 4.758 5.398 0.646 1.00 60.14 H new ATOM 0 HB3 ALA A 76 4.664 7.098 1.161 1.00 60.14 H new ATOM 1298 N THR A 77 6.616 8.892 0.898 1.00 24.55 N ATOM 1299 CA THR A 77 7.131 10.272 0.806 1.00 72.52 C ATOM 1300 C THR A 77 8.411 10.379 1.669 1.00 22.42 C ATOM 1301 O THR A 77 8.348 10.262 2.898 1.00 10.41 O ATOM 1302 CB THR A 77 6.063 11.345 1.258 1.00 22.15 C ATOM 1303 OG1 THR A 77 5.808 11.293 2.679 1.00 73.15 O ATOM 1304 CG2 THR A 77 4.727 11.171 0.513 1.00 42.11 C ATOM 0 H THR A 77 5.795 8.798 1.496 1.00 24.55 H new ATOM 0 HA THR A 77 7.359 10.487 -0.238 1.00 72.52 H new ATOM 0 HB THR A 77 6.494 12.314 1.008 1.00 22.15 H new ATOM 0 HG1 THR A 77 5.689 10.361 2.956 1.00 73.15 H new ATOM 0 HG21 THR A 77 4.020 11.928 0.852 1.00 42.11 H new ATOM 0 HG22 THR A 77 4.891 11.282 -0.559 1.00 42.11 H new ATOM 0 HG23 THR A 77 4.323 10.179 0.717 1.00 42.11 H new ATOM 1312 N LYS A 78 9.573 10.551 1.009 1.00 34.23 N ATOM 1313 CA LYS A 78 10.901 10.459 1.642 1.00 24.43 C ATOM 1314 C LYS A 78 11.158 11.605 2.647 1.00 73.11 C ATOM 1315 O LYS A 78 11.712 12.655 2.307 1.00 21.12 O ATOM 1316 CB LYS A 78 12.024 10.399 0.567 1.00 24.25 C ATOM 1317 CG LYS A 78 12.010 9.122 -0.306 1.00 13.43 C ATOM 1318 CD LYS A 78 13.243 9.032 -1.233 1.00 34.01 C ATOM 1319 CE LYS A 78 13.292 7.722 -2.038 1.00 31.51 C ATOM 1320 NZ LYS A 78 14.546 7.604 -2.826 1.00 15.45 N ATOM 0 H LYS A 78 9.615 10.760 0.011 1.00 34.23 H new ATOM 0 HA LYS A 78 10.917 9.530 2.213 1.00 24.43 H new ATOM 0 HB2 LYS A 78 11.934 11.269 -0.083 1.00 24.25 H new ATOM 0 HB3 LYS A 78 12.991 10.472 1.065 1.00 24.25 H new ATOM 0 HG2 LYS A 78 11.978 8.244 0.339 1.00 13.43 H new ATOM 0 HG3 LYS A 78 11.103 9.107 -0.910 1.00 13.43 H new ATOM 0 HD2 LYS A 78 13.235 9.876 -1.922 1.00 34.01 H new ATOM 0 HD3 LYS A 78 14.149 9.118 -0.633 1.00 34.01 H new ATOM 0 HE2 LYS A 78 13.209 6.874 -1.358 1.00 31.51 H new ATOM 0 HE3 LYS A 78 12.435 7.676 -2.710 1.00 31.51 H new ATOM 0 HZ1 LYS A 78 14.541 6.708 -3.354 1.00 15.45 H new ATOM 0 HZ2 LYS A 78 14.613 8.399 -3.493 1.00 15.45 H new ATOM 0 HZ3 LYS A 78 15.363 7.622 -2.183 1.00 15.45 H new ATOM 1334 N ASN A 79 10.682 11.392 3.873 1.00 30.20 N ATOM 1335 CA ASN A 79 10.976 12.259 5.034 1.00 71.34 C ATOM 1336 C ASN A 79 11.882 11.499 6.034 1.00 63.50 C ATOM 1337 O ASN A 79 12.990 11.950 6.349 1.00 41.15 O ATOM 1338 CB ASN A 79 9.667 12.711 5.727 1.00 63.24 C ATOM 1339 CG ASN A 79 8.739 13.497 4.798 1.00 12.34 C ATOM 1340 OD1 ASN A 79 8.857 14.707 4.669 1.00 33.21 O ATOM 1341 ND2 ASN A 79 7.809 12.818 4.154 1.00 53.32 N ATOM 0 H ASN A 79 10.073 10.606 4.100 1.00 30.20 H new ATOM 0 HA ASN A 79 11.497 13.150 4.684 1.00 71.34 H new ATOM 0 HB2 ASN A 79 9.139 11.834 6.102 1.00 63.24 H new ATOM 0 HB3 ASN A 79 9.914 13.328 6.591 1.00 63.24 H new ATOM 0 HD21 ASN A 79 7.165 13.302 3.529 1.00 53.32 H new ATOM 0 HD22 ASN A 79 7.734 11.809 4.281 1.00 53.32 H new ATOM 1348 N PHE A 80 11.373 10.338 6.533 1.00 61.41 N ATOM 1349 CA PHE A 80 12.087 9.449 7.506 1.00 63.25 C ATOM 1350 C PHE A 80 12.550 10.191 8.803 1.00 41.32 C ATOM 1351 O PHE A 80 13.393 9.694 9.558 1.00 21.04 O ATOM 1352 CB PHE A 80 13.284 8.736 6.812 1.00 22.44 C ATOM 1353 CG PHE A 80 12.889 7.873 5.608 1.00 33.54 C ATOM 1354 CD1 PHE A 80 12.388 6.581 5.784 1.00 21.21 C ATOM 1355 CD2 PHE A 80 13.012 8.353 4.301 1.00 44.40 C ATOM 1356 CE1 PHE A 80 12.033 5.804 4.696 1.00 23.43 C ATOM 1357 CE2 PHE A 80 12.654 7.568 3.217 1.00 14.25 C ATOM 1358 CZ PHE A 80 12.164 6.296 3.414 1.00 20.20 C ATOM 0 H PHE A 80 10.451 9.987 6.273 1.00 61.41 H new ATOM 0 HA PHE A 80 11.364 8.701 7.832 1.00 63.25 H new ATOM 0 HB2 PHE A 80 14.001 9.489 6.485 1.00 22.44 H new ATOM 0 HB3 PHE A 80 13.792 8.108 7.544 1.00 22.44 H new ATOM 0 HD1 PHE A 80 12.276 6.184 6.782 1.00 21.21 H new ATOM 0 HD2 PHE A 80 13.392 9.350 4.134 1.00 44.40 H new ATOM 0 HE1 PHE A 80 11.651 4.806 4.851 1.00 23.43 H new ATOM 0 HE2 PHE A 80 12.760 7.955 2.214 1.00 14.25 H new ATOM 0 HZ PHE A 80 11.883 5.686 2.568 1.00 20.20 H new ATOM 1368 N LYS A 81 11.917 11.346 9.083 1.00 53.20 N ATOM 1369 CA LYS A 81 12.308 12.277 10.181 1.00 55.43 C ATOM 1370 C LYS A 81 11.757 11.854 11.570 1.00 65.11 C ATOM 1371 O LYS A 81 11.913 12.579 12.557 1.00 54.13 O ATOM 1372 CB LYS A 81 11.817 13.699 9.815 1.00 44.53 C ATOM 1373 CG LYS A 81 10.298 13.794 9.524 1.00 12.51 C ATOM 1374 CD LYS A 81 9.863 15.216 9.106 1.00 14.20 C ATOM 1375 CE LYS A 81 8.411 15.273 8.608 1.00 4.41 C ATOM 1376 NZ LYS A 81 7.996 16.655 8.256 1.00 54.20 N ATOM 0 H LYS A 81 11.109 11.671 8.552 1.00 53.20 H new ATOM 0 HA LYS A 81 13.394 12.251 10.272 1.00 55.43 H new ATOM 0 HB2 LYS A 81 12.061 14.377 10.633 1.00 44.53 H new ATOM 0 HB3 LYS A 81 12.365 14.046 8.939 1.00 44.53 H new ATOM 0 HG2 LYS A 81 10.038 13.091 8.733 1.00 12.51 H new ATOM 0 HG3 LYS A 81 9.742 13.494 10.412 1.00 12.51 H new ATOM 0 HD2 LYS A 81 9.978 15.890 9.955 1.00 14.20 H new ATOM 0 HD3 LYS A 81 10.526 15.577 8.320 1.00 14.20 H new ATOM 0 HE2 LYS A 81 8.302 14.629 7.736 1.00 4.41 H new ATOM 0 HE3 LYS A 81 7.748 14.881 9.379 1.00 4.41 H new ATOM 0 HZ1 LYS A 81 7.010 16.648 7.925 1.00 54.20 H new ATOM 0 HZ2 LYS A 81 8.075 17.265 9.094 1.00 54.20 H new ATOM 0 HZ3 LYS A 81 8.612 17.021 7.502 1.00 54.20 H new ATOM 1390 N THR A 82 11.114 10.679 11.616 1.00 13.12 N ATOM 1391 CA THR A 82 10.522 10.098 12.848 1.00 4.23 C ATOM 1392 C THR A 82 10.247 8.589 12.659 1.00 11.54 C ATOM 1393 O THR A 82 10.325 7.807 13.612 1.00 15.45 O ATOM 1394 CB THR A 82 9.206 10.841 13.281 1.00 71.30 C ATOM 1395 OG1 THR A 82 8.557 10.144 14.364 1.00 40.33 O ATOM 1396 CG2 THR A 82 8.230 11.027 12.106 1.00 41.11 C ATOM 0 H THR A 82 10.984 10.091 10.793 1.00 13.12 H new ATOM 0 HA THR A 82 11.251 10.231 13.648 1.00 4.23 H new ATOM 0 HB THR A 82 9.500 11.833 13.623 1.00 71.30 H new ATOM 0 HG1 THR A 82 7.741 10.623 14.619 1.00 40.33 H new ATOM 0 HG21 THR A 82 7.336 11.545 12.454 1.00 41.11 H new ATOM 0 HG22 THR A 82 8.710 11.616 11.324 1.00 41.11 H new ATOM 0 HG23 THR A 82 7.952 10.052 11.706 1.00 41.11 H new ATOM 1404 N SER A 83 9.914 8.190 11.412 1.00 52.31 N ATOM 1405 CA SER A 83 9.747 6.766 11.020 1.00 64.15 C ATOM 1406 C SER A 83 10.898 6.316 10.080 1.00 51.12 C ATOM 1407 O SER A 83 10.870 6.626 8.884 1.00 34.42 O ATOM 1408 CB SER A 83 8.381 6.546 10.322 1.00 2.42 C ATOM 1409 OG SER A 83 7.298 6.863 11.177 1.00 4.14 O ATOM 0 H SER A 83 9.752 8.844 10.646 1.00 52.31 H new ATOM 0 HA SER A 83 9.779 6.163 11.927 1.00 64.15 H new ATOM 0 HB2 SER A 83 8.328 7.162 9.424 1.00 2.42 H new ATOM 0 HB3 SER A 83 8.299 5.507 10.001 1.00 2.42 H new ATOM 0 HG SER A 83 6.861 6.037 11.472 1.00 4.14 H new ATOM 1415 N PRO A 84 11.962 5.632 10.615 1.00 62.24 N ATOM 1416 CA PRO A 84 13.016 5.010 9.767 1.00 20.51 C ATOM 1417 C PRO A 84 12.498 3.753 9.018 1.00 20.25 C ATOM 1418 O PRO A 84 11.514 3.122 9.439 1.00 31.51 O ATOM 1419 CB PRO A 84 14.130 4.661 10.786 1.00 74.33 C ATOM 1420 CG PRO A 84 13.396 4.452 12.082 1.00 72.23 C ATOM 1421 CD PRO A 84 12.247 5.442 12.067 1.00 21.34 C ATOM 0 HA PRO A 84 13.361 5.670 8.971 1.00 20.51 H new ATOM 0 HB2 PRO A 84 14.675 3.765 10.488 1.00 74.33 H new ATOM 0 HB3 PRO A 84 14.861 5.466 10.868 1.00 74.33 H new ATOM 0 HG2 PRO A 84 13.030 3.429 12.164 1.00 72.23 H new ATOM 0 HG3 PRO A 84 14.051 4.626 12.936 1.00 72.23 H new ATOM 0 HD2 PRO A 84 11.378 5.054 12.598 1.00 21.34 H new ATOM 0 HD3 PRO A 84 12.521 6.381 12.547 1.00 21.34 H new ATOM 1429 N LEU A 85 13.169 3.399 7.910 1.00 14.10 N ATOM 1430 CA LEU A 85 12.758 2.274 7.050 1.00 34.43 C ATOM 1431 C LEU A 85 13.326 0.924 7.569 1.00 71.44 C ATOM 1432 O LEU A 85 14.551 0.782 7.687 1.00 3.40 O ATOM 1433 CB LEU A 85 13.233 2.525 5.595 1.00 45.35 C ATOM 1434 CG LEU A 85 12.756 1.489 4.532 1.00 33.41 C ATOM 1435 CD1 LEU A 85 11.215 1.419 4.474 1.00 72.42 C ATOM 1436 CD2 LEU A 85 13.353 1.799 3.138 1.00 51.34 C ATOM 0 H LEU A 85 14.007 3.881 7.585 1.00 14.10 H new ATOM 0 HA LEU A 85 11.670 2.210 7.074 1.00 34.43 H new ATOM 0 HB2 LEU A 85 12.892 3.514 5.288 1.00 45.35 H new ATOM 0 HB3 LEU A 85 14.323 2.547 5.588 1.00 45.35 H new ATOM 0 HG LEU A 85 13.123 0.509 4.839 1.00 33.41 H new ATOM 0 HD11 LEU A 85 10.912 0.688 3.724 1.00 72.42 H new ATOM 0 HD12 LEU A 85 10.827 1.121 5.448 1.00 72.42 H new ATOM 0 HD13 LEU A 85 10.816 2.398 4.209 1.00 72.42 H new ATOM 0 HD21 LEU A 85 13.002 1.059 2.419 1.00 51.34 H new ATOM 0 HD22 LEU A 85 13.037 2.793 2.820 1.00 51.34 H new ATOM 0 HD23 LEU A 85 14.441 1.764 3.192 1.00 51.34 H new ATOM 1448 N PRO A 86 12.450 -0.089 7.882 1.00 73.13 N ATOM 1449 CA PRO A 86 12.899 -1.451 8.252 1.00 70.21 C ATOM 1450 C PRO A 86 13.345 -2.280 7.014 1.00 63.13 C ATOM 1451 O PRO A 86 12.965 -1.981 5.874 1.00 51.41 O ATOM 1452 CB PRO A 86 11.646 -2.079 8.944 1.00 52.44 C ATOM 1453 CG PRO A 86 10.613 -0.984 9.013 1.00 43.13 C ATOM 1454 CD PRO A 86 10.973 -0.003 7.923 1.00 22.11 C ATOM 0 HA PRO A 86 13.776 -1.435 8.899 1.00 70.21 H new ATOM 0 HB2 PRO A 86 11.273 -2.931 8.376 1.00 52.44 H new ATOM 0 HB3 PRO A 86 11.894 -2.444 9.941 1.00 52.44 H new ATOM 0 HG2 PRO A 86 9.610 -1.384 8.863 1.00 43.13 H new ATOM 0 HG3 PRO A 86 10.621 -0.501 9.990 1.00 43.13 H new ATOM 0 HD2 PRO A 86 10.525 -0.277 6.968 1.00 22.11 H new ATOM 0 HD3 PRO A 86 10.633 1.006 8.157 1.00 22.11 H new ATOM 1462 N ASP A 87 14.132 -3.343 7.272 1.00 63.42 N ATOM 1463 CA ASP A 87 14.689 -4.246 6.231 1.00 63.51 C ATOM 1464 C ASP A 87 13.572 -4.965 5.429 1.00 53.24 C ATOM 1465 O ASP A 87 13.717 -5.223 4.224 1.00 53.22 O ATOM 1466 CB ASP A 87 15.627 -5.286 6.899 1.00 12.20 C ATOM 1467 CG ASP A 87 16.787 -4.632 7.672 1.00 70.33 C ATOM 1468 OD1 ASP A 87 16.543 -4.072 8.766 1.00 62.13 O ATOM 1469 OD2 ASP A 87 17.942 -4.668 7.195 1.00 11.41 O ATOM 0 H ASP A 87 14.405 -3.607 8.219 1.00 63.42 H new ATOM 0 HA ASP A 87 15.254 -3.640 5.523 1.00 63.51 H new ATOM 0 HB2 ASP A 87 15.046 -5.907 7.581 1.00 12.20 H new ATOM 0 HB3 ASP A 87 16.033 -5.947 6.133 1.00 12.20 H new ATOM 1474 N LYS A 88 12.458 -5.259 6.127 1.00 23.04 N ATOM 1475 CA LYS A 88 11.249 -5.899 5.550 1.00 34.35 C ATOM 1476 C LYS A 88 10.616 -5.082 4.384 1.00 75.32 C ATOM 1477 O LYS A 88 9.881 -5.643 3.569 1.00 31.22 O ATOM 1478 CB LYS A 88 10.198 -6.123 6.675 1.00 72.32 C ATOM 1479 CG LYS A 88 9.759 -4.823 7.385 1.00 31.15 C ATOM 1480 CD LYS A 88 8.753 -5.033 8.540 1.00 42.24 C ATOM 1481 CE LYS A 88 7.404 -5.598 8.070 1.00 43.40 C ATOM 1482 NZ LYS A 88 6.390 -5.623 9.155 1.00 1.03 N ATOM 0 H LYS A 88 12.366 -5.057 7.123 1.00 23.04 H new ATOM 0 HA LYS A 88 11.563 -6.852 5.123 1.00 34.35 H new ATOM 0 HB2 LYS A 88 9.320 -6.607 6.248 1.00 72.32 H new ATOM 0 HB3 LYS A 88 10.612 -6.808 7.415 1.00 72.32 H new ATOM 0 HG2 LYS A 88 10.644 -4.321 7.777 1.00 31.15 H new ATOM 0 HG3 LYS A 88 9.313 -4.154 6.649 1.00 31.15 H new ATOM 0 HD2 LYS A 88 9.188 -5.711 9.274 1.00 42.24 H new ATOM 0 HD3 LYS A 88 8.585 -4.082 9.045 1.00 42.24 H new ATOM 0 HE2 LYS A 88 7.030 -4.996 7.241 1.00 43.40 H new ATOM 0 HE3 LYS A 88 7.550 -6.609 7.690 1.00 43.40 H new ATOM 0 HZ1 LYS A 88 5.573 -6.191 8.854 1.00 1.03 H new ATOM 0 HZ2 LYS A 88 6.807 -6.043 10.010 1.00 1.03 H new ATOM 0 HZ3 LYS A 88 6.079 -4.652 9.362 1.00 1.03 H new ATOM 1496 N TRP A 89 10.878 -3.752 4.333 1.00 32.30 N ATOM 1497 CA TRP A 89 10.403 -2.868 3.228 1.00 25.02 C ATOM 1498 C TRP A 89 11.560 -2.272 2.408 1.00 14.34 C ATOM 1499 O TRP A 89 11.341 -1.788 1.292 1.00 13.02 O ATOM 1500 CB TRP A 89 9.486 -1.748 3.781 1.00 72.33 C ATOM 1501 CG TRP A 89 8.263 -2.294 4.472 1.00 35.21 C ATOM 1502 CD1 TRP A 89 7.935 -2.183 5.794 1.00 42.52 C ATOM 1503 CD2 TRP A 89 7.231 -3.094 3.869 1.00 1.54 C ATOM 1504 NE1 TRP A 89 6.766 -2.852 6.044 1.00 73.34 N ATOM 1505 CE2 TRP A 89 6.319 -3.422 4.879 1.00 73.20 C ATOM 1506 CE3 TRP A 89 6.995 -3.561 2.566 1.00 60.40 C ATOM 1507 CZ2 TRP A 89 5.190 -4.199 4.635 1.00 2.24 C ATOM 1508 CZ3 TRP A 89 5.879 -4.331 2.324 1.00 72.04 C ATOM 1509 CH2 TRP A 89 4.989 -4.644 3.352 1.00 13.51 C ATOM 0 H TRP A 89 11.418 -3.262 5.046 1.00 32.30 H new ATOM 0 HA TRP A 89 9.825 -3.493 2.547 1.00 25.02 H new ATOM 0 HB2 TRP A 89 10.051 -1.133 4.481 1.00 72.33 H new ATOM 0 HB3 TRP A 89 9.177 -1.098 2.962 1.00 72.33 H new ATOM 0 HD1 TRP A 89 8.512 -1.647 6.533 1.00 42.52 H new ATOM 0 HE1 TRP A 89 6.303 -2.916 6.950 1.00 73.34 H new ATOM 0 HE3 TRP A 89 7.679 -3.320 1.765 1.00 60.40 H new ATOM 0 HZ2 TRP A 89 4.497 -4.443 5.427 1.00 2.24 H new ATOM 0 HZ3 TRP A 89 5.690 -4.697 1.326 1.00 72.04 H new ATOM 0 HH2 TRP A 89 4.122 -5.250 3.133 1.00 13.51 H new ATOM 1520 N ALA A 90 12.784 -2.320 2.958 1.00 65.41 N ATOM 1521 CA ALA A 90 14.007 -1.874 2.249 1.00 54.15 C ATOM 1522 C ALA A 90 14.279 -2.746 0.996 1.00 72.05 C ATOM 1523 O ALA A 90 14.705 -2.247 -0.051 1.00 1.42 O ATOM 1524 CB ALA A 90 15.209 -1.907 3.208 1.00 11.53 C ATOM 0 H ALA A 90 12.960 -2.666 3.901 1.00 65.41 H new ATOM 0 HA ALA A 90 13.854 -0.850 1.909 1.00 54.15 H new ATOM 0 HB1 ALA A 90 16.104 -1.578 2.681 1.00 11.53 H new ATOM 0 HB2 ALA A 90 15.020 -1.243 4.051 1.00 11.53 H new ATOM 0 HB3 ALA A 90 15.356 -2.924 3.573 1.00 11.53 H new ATOM 1530 N ASN A 91 14.005 -4.057 1.124 1.00 60.22 N ATOM 1531 CA ASN A 91 14.196 -5.049 0.038 1.00 1.25 C ATOM 1532 C ASN A 91 12.866 -5.377 -0.711 1.00 15.31 C ATOM 1533 O ASN A 91 12.820 -6.312 -1.521 1.00 65.35 O ATOM 1534 CB ASN A 91 14.815 -6.339 0.640 1.00 63.54 C ATOM 1535 CG ASN A 91 16.147 -6.094 1.367 1.00 4.41 C ATOM 1536 OD1 ASN A 91 16.921 -5.217 0.997 1.00 50.31 O ATOM 1537 ND2 ASN A 91 16.421 -6.862 2.405 1.00 14.33 N ATOM 0 H ASN A 91 13.643 -4.465 1.986 1.00 60.22 H new ATOM 0 HA ASN A 91 14.869 -4.618 -0.703 1.00 1.25 H new ATOM 0 HB2 ASN A 91 14.105 -6.783 1.338 1.00 63.54 H new ATOM 0 HB3 ASN A 91 14.973 -7.064 -0.158 1.00 63.54 H new ATOM 0 HD21 ASN A 91 17.293 -6.733 2.919 1.00 14.33 H new ATOM 0 HD22 ASN A 91 15.761 -7.584 2.693 1.00 14.33 H new ATOM 1544 N SER A 92 11.797 -4.601 -0.444 1.00 15.32 N ATOM 1545 CA SER A 92 10.477 -4.779 -1.115 1.00 24.01 C ATOM 1546 C SER A 92 10.303 -3.784 -2.282 1.00 25.22 C ATOM 1547 O SER A 92 10.440 -2.566 -2.099 1.00 61.52 O ATOM 1548 CB SER A 92 9.315 -4.599 -0.110 1.00 53.15 C ATOM 1549 OG SER A 92 9.334 -5.606 0.888 1.00 21.02 O ATOM 0 H SER A 92 11.814 -3.839 0.234 1.00 15.32 H new ATOM 0 HA SER A 92 10.453 -5.794 -1.511 1.00 24.01 H new ATOM 0 HB2 SER A 92 9.387 -3.618 0.359 1.00 53.15 H new ATOM 0 HB3 SER A 92 8.364 -4.629 -0.642 1.00 53.15 H new ATOM 0 HG SER A 92 9.723 -5.244 1.711 1.00 21.02 H new ATOM 1555 N LYS A 93 9.987 -4.316 -3.481 1.00 25.31 N ATOM 1556 CA LYS A 93 9.688 -3.486 -4.669 1.00 30.45 C ATOM 1557 C LYS A 93 8.331 -2.756 -4.507 1.00 2.32 C ATOM 1558 O LYS A 93 8.142 -1.682 -5.068 1.00 63.45 O ATOM 1559 CB LYS A 93 9.725 -4.333 -5.979 1.00 4.20 C ATOM 1560 CG LYS A 93 9.497 -3.528 -7.286 1.00 23.22 C ATOM 1561 CD LYS A 93 10.526 -2.384 -7.482 1.00 64.33 C ATOM 1562 CE LYS A 93 10.195 -1.474 -8.682 1.00 3.21 C ATOM 1563 NZ LYS A 93 10.234 -2.200 -9.985 1.00 41.51 N ATOM 0 H LYS A 93 9.932 -5.320 -3.653 1.00 25.31 H new ATOM 0 HA LYS A 93 10.467 -2.728 -4.750 1.00 30.45 H new ATOM 0 HB2 LYS A 93 10.691 -4.835 -6.043 1.00 4.20 H new ATOM 0 HB3 LYS A 93 8.965 -5.112 -5.912 1.00 4.20 H new ATOM 0 HG2 LYS A 93 9.550 -4.206 -8.138 1.00 23.22 H new ATOM 0 HG3 LYS A 93 8.492 -3.107 -7.276 1.00 23.22 H new ATOM 0 HD2 LYS A 93 10.566 -1.780 -6.576 1.00 64.33 H new ATOM 0 HD3 LYS A 93 11.517 -2.815 -7.622 1.00 64.33 H new ATOM 0 HE2 LYS A 93 9.205 -1.041 -8.542 1.00 3.21 H new ATOM 0 HE3 LYS A 93 10.903 -0.646 -8.711 1.00 3.21 H new ATOM 0 HZ1 LYS A 93 10.004 -1.541 -10.756 1.00 41.51 H new ATOM 0 HZ2 LYS A 93 11.186 -2.591 -10.136 1.00 41.51 H new ATOM 0 HZ3 LYS A 93 9.539 -2.974 -9.972 1.00 41.51 H new ATOM 1577 N LEU A 94 7.405 -3.348 -3.716 1.00 71.14 N ATOM 1578 CA LEU A 94 6.084 -2.739 -3.396 1.00 74.03 C ATOM 1579 C LEU A 94 6.219 -1.292 -2.856 1.00 71.50 C ATOM 1580 O LEU A 94 5.444 -0.399 -3.225 1.00 54.24 O ATOM 1581 CB LEU A 94 5.355 -3.600 -2.339 1.00 2.35 C ATOM 1582 CG LEU A 94 3.956 -3.083 -1.885 1.00 1.24 C ATOM 1583 CD1 LEU A 94 2.913 -3.177 -3.019 1.00 75.43 C ATOM 1584 CD2 LEU A 94 3.488 -3.810 -0.611 1.00 41.41 C ATOM 0 H LEU A 94 7.548 -4.259 -3.281 1.00 71.14 H new ATOM 0 HA LEU A 94 5.513 -2.702 -4.324 1.00 74.03 H new ATOM 0 HB2 LEU A 94 5.236 -4.607 -2.738 1.00 2.35 H new ATOM 0 HB3 LEU A 94 5.994 -3.679 -1.460 1.00 2.35 H new ATOM 0 HG LEU A 94 4.057 -2.025 -1.642 1.00 1.24 H new ATOM 0 HD11 LEU A 94 1.952 -2.807 -2.661 1.00 75.43 H new ATOM 0 HD12 LEU A 94 3.241 -2.575 -3.866 1.00 75.43 H new ATOM 0 HD13 LEU A 94 2.808 -4.216 -3.332 1.00 75.43 H new ATOM 0 HD21 LEU A 94 2.510 -3.432 -0.315 1.00 41.41 H new ATOM 0 HD22 LEU A 94 3.419 -4.880 -0.807 1.00 41.41 H new ATOM 0 HD23 LEU A 94 4.204 -3.634 0.192 1.00 41.41 H new ATOM 1596 N LEU A 95 7.206 -1.095 -1.966 1.00 75.02 N ATOM 1597 CA LEU A 95 7.524 0.230 -1.409 1.00 52.54 C ATOM 1598 C LEU A 95 7.951 1.216 -2.518 1.00 14.15 C ATOM 1599 O LEU A 95 7.500 2.351 -2.553 1.00 35.44 O ATOM 1600 CB LEU A 95 8.652 0.133 -0.359 1.00 62.03 C ATOM 1601 CG LEU A 95 9.080 1.503 0.254 1.00 54.25 C ATOM 1602 CD1 LEU A 95 7.945 2.119 1.098 1.00 24.12 C ATOM 1603 CD2 LEU A 95 10.391 1.387 1.039 1.00 23.22 C ATOM 0 H LEU A 95 7.802 -1.844 -1.614 1.00 75.02 H new ATOM 0 HA LEU A 95 6.617 0.602 -0.932 1.00 52.54 H new ATOM 0 HB2 LEU A 95 8.327 -0.526 0.446 1.00 62.03 H new ATOM 0 HB3 LEU A 95 9.523 -0.333 -0.821 1.00 62.03 H new ATOM 0 HG LEU A 95 9.271 2.189 -0.571 1.00 54.25 H new ATOM 0 HD11 LEU A 95 8.275 3.072 1.511 1.00 24.12 H new ATOM 0 HD12 LEU A 95 7.070 2.280 0.469 1.00 24.12 H new ATOM 0 HD13 LEU A 95 7.687 1.441 1.912 1.00 24.12 H new ATOM 0 HD21 LEU A 95 10.656 2.361 1.450 1.00 23.22 H new ATOM 0 HD22 LEU A 95 10.266 0.671 1.852 1.00 23.22 H new ATOM 0 HD23 LEU A 95 11.184 1.046 0.374 1.00 23.22 H new ATOM 1615 N LYS A 96 8.832 0.751 -3.410 1.00 62.00 N ATOM 1616 CA LYS A 96 9.370 1.564 -4.528 1.00 74.41 C ATOM 1617 C LYS A 96 8.269 1.892 -5.571 1.00 50.33 C ATOM 1618 O LYS A 96 8.322 2.926 -6.235 1.00 61.12 O ATOM 1619 CB LYS A 96 10.582 0.828 -5.154 1.00 4.43 C ATOM 1620 CG LYS A 96 11.701 0.532 -4.125 1.00 54.30 C ATOM 1621 CD LYS A 96 12.923 -0.195 -4.729 1.00 44.32 C ATOM 1622 CE LYS A 96 14.034 -0.449 -3.687 1.00 41.32 C ATOM 1623 NZ LYS A 96 15.247 -1.056 -4.293 1.00 41.41 N ATOM 0 H LYS A 96 9.199 -0.201 -3.385 1.00 62.00 H new ATOM 0 HA LYS A 96 9.714 2.525 -4.146 1.00 74.41 H new ATOM 0 HB2 LYS A 96 10.244 -0.109 -5.596 1.00 4.43 H new ATOM 0 HB3 LYS A 96 10.990 1.433 -5.964 1.00 4.43 H new ATOM 0 HG2 LYS A 96 12.031 1.471 -3.680 1.00 54.30 H new ATOM 0 HG3 LYS A 96 11.290 -0.075 -3.319 1.00 54.30 H new ATOM 0 HD2 LYS A 96 12.603 -1.147 -5.153 1.00 44.32 H new ATOM 0 HD3 LYS A 96 13.327 0.399 -5.549 1.00 44.32 H new ATOM 0 HE2 LYS A 96 14.302 0.493 -3.208 1.00 41.32 H new ATOM 0 HE3 LYS A 96 13.653 -1.107 -2.906 1.00 41.32 H new ATOM 0 HZ1 LYS A 96 15.965 -1.208 -3.556 1.00 41.41 H new ATOM 0 HZ2 LYS A 96 14.999 -1.968 -4.728 1.00 41.41 H new ATOM 0 HZ3 LYS A 96 15.628 -0.418 -5.021 1.00 41.41 H new ATOM 1637 N GLN A 97 7.270 0.995 -5.674 1.00 33.34 N ATOM 1638 CA GLN A 97 6.024 1.223 -6.444 1.00 0.13 C ATOM 1639 C GLN A 97 5.162 2.332 -5.785 1.00 4.43 C ATOM 1640 O GLN A 97 4.495 3.110 -6.469 1.00 53.40 O ATOM 1641 CB GLN A 97 5.213 -0.103 -6.534 1.00 71.42 C ATOM 1642 CG GLN A 97 5.888 -1.233 -7.341 1.00 1.21 C ATOM 1643 CD GLN A 97 5.858 -1.006 -8.854 1.00 25.51 C ATOM 1644 OE1 GLN A 97 4.947 -1.452 -9.538 1.00 32.12 O ATOM 1645 NE2 GLN A 97 6.831 -0.291 -9.383 1.00 72.55 N ATOM 0 H GLN A 97 7.302 0.081 -5.222 1.00 33.34 H new ATOM 0 HA GLN A 97 6.291 1.552 -7.448 1.00 0.13 H new ATOM 0 HB2 GLN A 97 5.024 -0.464 -5.523 1.00 71.42 H new ATOM 0 HB3 GLN A 97 4.243 0.113 -6.982 1.00 71.42 H new ATOM 0 HG2 GLN A 97 6.924 -1.331 -7.017 1.00 1.21 H new ATOM 0 HG3 GLN A 97 5.392 -2.177 -7.114 1.00 1.21 H new ATOM 0 HE21 GLN A 97 7.579 0.069 -8.791 1.00 72.55 H new ATOM 0 HE22 GLN A 97 6.836 -0.098 -10.385 1.00 72.55 H new ATOM 1654 N LEU A 98 5.174 2.367 -4.446 1.00 24.44 N ATOM 1655 CA LEU A 98 4.429 3.363 -3.639 1.00 14.01 C ATOM 1656 C LEU A 98 5.132 4.753 -3.663 1.00 4.35 C ATOM 1657 O LEU A 98 4.471 5.797 -3.639 1.00 52.03 O ATOM 1658 CB LEU A 98 4.288 2.821 -2.188 1.00 74.31 C ATOM 1659 CG LEU A 98 3.339 3.606 -1.235 1.00 31.32 C ATOM 1660 CD1 LEU A 98 1.901 3.640 -1.786 1.00 65.20 C ATOM 1661 CD2 LEU A 98 3.383 3.019 0.197 1.00 63.13 C ATOM 0 H LEU A 98 5.703 1.703 -3.881 1.00 24.44 H new ATOM 0 HA LEU A 98 3.438 3.510 -4.068 1.00 14.01 H new ATOM 0 HB2 LEU A 98 3.938 1.790 -2.243 1.00 74.31 H new ATOM 0 HB3 LEU A 98 5.280 2.797 -1.736 1.00 74.31 H new ATOM 0 HG LEU A 98 3.693 4.636 -1.181 1.00 31.32 H new ATOM 0 HD11 LEU A 98 1.261 4.195 -1.099 1.00 65.20 H new ATOM 0 HD12 LEU A 98 1.896 4.128 -2.761 1.00 65.20 H new ATOM 0 HD13 LEU A 98 1.526 2.622 -1.888 1.00 65.20 H new ATOM 0 HD21 LEU A 98 2.712 3.585 0.843 1.00 63.13 H new ATOM 0 HD22 LEU A 98 3.069 1.976 0.172 1.00 63.13 H new ATOM 0 HD23 LEU A 98 4.399 3.083 0.585 1.00 63.13 H new ATOM 1673 N GLN A 99 6.480 4.738 -3.721 1.00 60.12 N ATOM 1674 CA GLN A 99 7.319 5.960 -3.809 1.00 35.12 C ATOM 1675 C GLN A 99 7.155 6.655 -5.182 1.00 30.05 C ATOM 1676 O GLN A 99 6.984 7.878 -5.251 1.00 71.24 O ATOM 1677 CB GLN A 99 8.814 5.606 -3.554 1.00 21.40 C ATOM 1678 CG GLN A 99 9.125 5.094 -2.129 1.00 2.53 C ATOM 1679 CD GLN A 99 10.586 4.674 -1.921 1.00 63.11 C ATOM 1680 OE1 GLN A 99 11.261 4.225 -2.844 1.00 31.32 O ATOM 1681 NE2 GLN A 99 11.088 4.819 -0.705 1.00 74.24 N ATOM 0 H GLN A 99 7.024 3.875 -3.708 1.00 60.12 H new ATOM 0 HA GLN A 99 6.984 6.656 -3.040 1.00 35.12 H new ATOM 0 HB2 GLN A 99 9.121 4.846 -4.273 1.00 21.40 H new ATOM 0 HB3 GLN A 99 9.420 6.491 -3.747 1.00 21.40 H new ATOM 0 HG2 GLN A 99 8.877 5.876 -1.411 1.00 2.53 H new ATOM 0 HG3 GLN A 99 8.479 4.244 -1.911 1.00 2.53 H new ATOM 0 HE21 GLN A 99 10.507 5.194 0.045 1.00 74.24 H new ATOM 0 HE22 GLN A 99 12.055 4.556 -0.518 1.00 74.24 H new ATOM 1690 N GLU A 100 7.201 5.854 -6.272 1.00 34.44 N ATOM 1691 CA GLU A 100 7.000 6.364 -7.650 1.00 12.24 C ATOM 1692 C GLU A 100 5.534 6.828 -7.855 1.00 42.24 C ATOM 1693 O GLU A 100 5.289 7.823 -8.535 1.00 63.13 O ATOM 1694 CB GLU A 100 7.390 5.291 -8.712 1.00 65.43 C ATOM 1695 CG GLU A 100 6.462 4.060 -8.755 1.00 34.23 C ATOM 1696 CD GLU A 100 6.918 2.939 -9.697 1.00 55.33 C ATOM 1697 OE1 GLU A 100 8.034 2.408 -9.501 1.00 71.50 O ATOM 1698 OE2 GLU A 100 6.164 2.568 -10.628 1.00 12.54 O ATOM 0 H GLU A 100 7.376 4.850 -6.224 1.00 34.44 H new ATOM 0 HA GLU A 100 7.656 7.224 -7.786 1.00 12.24 H new ATOM 0 HB2 GLU A 100 7.396 5.759 -9.696 1.00 65.43 H new ATOM 0 HB3 GLU A 100 8.408 4.955 -8.513 1.00 65.43 H new ATOM 0 HG2 GLU A 100 6.374 3.654 -7.747 1.00 34.23 H new ATOM 0 HG3 GLU A 100 5.466 4.385 -9.056 1.00 34.23 H new ATOM 1705 N PHE A 101 4.563 6.101 -7.244 1.00 21.01 N ATOM 1706 CA PHE A 101 3.133 6.471 -7.318 1.00 2.54 C ATOM 1707 C PHE A 101 2.863 7.803 -6.595 1.00 11.52 C ATOM 1708 O PHE A 101 2.039 8.597 -7.047 1.00 3.01 O ATOM 1709 CB PHE A 101 2.210 5.373 -6.732 1.00 24.03 C ATOM 1710 CG PHE A 101 0.728 5.748 -6.823 1.00 53.13 C ATOM 1711 CD1 PHE A 101 0.120 5.886 -8.066 1.00 14.34 C ATOM 1712 CD2 PHE A 101 -0.038 6.022 -5.685 1.00 20.22 C ATOM 1713 CE1 PHE A 101 -1.193 6.267 -8.175 1.00 60.11 C ATOM 1714 CE2 PHE A 101 -1.361 6.412 -5.805 1.00 73.14 C ATOM 1715 CZ PHE A 101 -1.935 6.531 -7.057 1.00 4.51 C ATOM 0 H PHE A 101 4.747 5.259 -6.698 1.00 21.01 H new ATOM 0 HA PHE A 101 2.902 6.581 -8.377 1.00 2.54 H new ATOM 0 HB2 PHE A 101 2.379 4.437 -7.265 1.00 24.03 H new ATOM 0 HB3 PHE A 101 2.475 5.198 -5.689 1.00 24.03 H new ATOM 0 HD1 PHE A 101 0.692 5.690 -8.961 1.00 14.34 H new ATOM 0 HD2 PHE A 101 0.406 5.929 -4.705 1.00 20.22 H new ATOM 0 HE1 PHE A 101 -1.645 6.359 -9.152 1.00 60.11 H new ATOM 0 HE2 PHE A 101 -1.944 6.623 -4.921 1.00 73.14 H new ATOM 0 HZ PHE A 101 -2.968 6.832 -7.152 1.00 4.51 H new ATOM 1725 N SER A 102 3.554 8.026 -5.465 1.00 32.43 N ATOM 1726 CA SER A 102 3.454 9.292 -4.695 1.00 33.12 C ATOM 1727 C SER A 102 3.766 10.528 -5.580 1.00 42.44 C ATOM 1728 O SER A 102 3.237 11.621 -5.354 1.00 43.15 O ATOM 1729 CB SER A 102 4.387 9.259 -3.465 1.00 75.13 C ATOM 1730 OG SER A 102 4.161 10.376 -2.622 1.00 12.43 O ATOM 0 H SER A 102 4.194 7.345 -5.056 1.00 32.43 H new ATOM 0 HA SER A 102 2.424 9.383 -4.350 1.00 33.12 H new ATOM 0 HB2 SER A 102 4.223 8.338 -2.905 1.00 75.13 H new ATOM 0 HB3 SER A 102 5.426 9.252 -3.793 1.00 75.13 H new ATOM 0 HG SER A 102 4.848 11.055 -2.787 1.00 12.43 H new ATOM 1736 N GLU A 103 4.609 10.315 -6.605 1.00 53.00 N ATOM 1737 CA GLU A 103 4.915 11.322 -7.643 1.00 24.40 C ATOM 1738 C GLU A 103 3.778 11.384 -8.715 1.00 54.44 C ATOM 1739 O GLU A 103 3.352 12.461 -9.134 1.00 2.21 O ATOM 1740 CB GLU A 103 6.254 10.952 -8.343 1.00 32.12 C ATOM 1741 CG GLU A 103 7.417 10.550 -7.408 1.00 52.45 C ATOM 1742 CD GLU A 103 7.886 11.668 -6.454 1.00 12.52 C ATOM 1743 OE1 GLU A 103 8.618 12.584 -6.906 1.00 51.43 O ATOM 1744 OE2 GLU A 103 7.542 11.638 -5.250 1.00 64.30 O ATOM 0 H GLU A 103 5.103 9.433 -6.740 1.00 53.00 H new ATOM 0 HA GLU A 103 4.996 12.297 -7.163 1.00 24.40 H new ATOM 0 HB2 GLU A 103 6.066 10.128 -9.032 1.00 32.12 H new ATOM 0 HB3 GLU A 103 6.574 11.803 -8.944 1.00 32.12 H new ATOM 0 HG2 GLU A 103 7.109 9.689 -6.815 1.00 52.45 H new ATOM 0 HG3 GLU A 103 8.263 10.231 -8.017 1.00 52.45 H new ATOM 1751 N ASN A 104 3.297 10.199 -9.137 1.00 31.32 N ATOM 1752 CA ASN A 104 2.432 10.023 -10.341 1.00 32.25 C ATOM 1753 C ASN A 104 0.906 10.134 -10.066 1.00 44.54 C ATOM 1754 O ASN A 104 0.115 10.214 -11.016 1.00 51.42 O ATOM 1755 CB ASN A 104 2.754 8.647 -10.975 1.00 32.23 C ATOM 1756 CG ASN A 104 4.207 8.524 -11.452 1.00 14.54 C ATOM 1757 OD1 ASN A 104 4.803 9.489 -11.921 1.00 64.43 O ATOM 1758 ND2 ASN A 104 4.800 7.351 -11.303 1.00 24.14 N ATOM 0 H ASN A 104 3.494 9.323 -8.654 1.00 31.32 H new ATOM 0 HA ASN A 104 2.661 10.847 -11.017 1.00 32.25 H new ATOM 0 HB2 ASN A 104 2.550 7.862 -10.246 1.00 32.23 H new ATOM 0 HB3 ASN A 104 2.086 8.479 -11.820 1.00 32.23 H new ATOM 0 HD21 ASN A 104 5.774 7.233 -11.580 1.00 24.14 H new ATOM 0 HD22 ASN A 104 4.283 6.564 -10.911 1.00 24.14 H new