USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 807 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: B 311 SER OG : rot -89:sc= 1.33 USER MOD Set 1.2: B 312 SER OG : rot 95:sc= 1.13 USER MOD Set 2.1: A 36 LYS NZ :NH3+ 164:sc= -0.155 (180deg=-0.35) USER MOD Set 2.2: A 60 TYR OH : rot -110:sc= 1.16 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.3 (180deg=0.956) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.777) USER MOD Single : A 40 SER OG : rot -70:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.893) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 120:sc= -0.191 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 50 MET CE :methyl 141:sc= -0.312 (180deg=-2.54!) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 2.47 (180deg=2.23) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.361 K(o=0.36,f=-0.28) USER MOD Single : A 62 MET CE :methyl 150:sc= -0.214 (180deg=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.208 X(o=0.21,f=-0.0046) USER MOD Single : A 72 GLN : amide:sc= -0.174 K(o=-0.17,f=-5.4!) USER MOD Single : A 73 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.0068) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 109:sc= -9.2! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.83 K(o=-0.83,f=0.06) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 20:sc= 1.25 USER MOD Single : A 101 THR OG1 : rot -82:sc= 0.997 USER MOD Single : A 102 MET CE :methyl -153:sc= -0.756 (180deg=-1.48) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.14! C(o=-1.1!,f=-3.7!) USER MOD Single : B 305 THR OG1 : rot 40:sc= 0.294 USER MOD Single : B 308 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.059 -21.347 -6.037 1.00 5.11 N ATOM 334 CA LEU A 27 44.215 -22.197 -6.030 1.00 60.50 C ATOM 335 C LEU A 27 44.974 -21.973 -7.310 1.00 75.55 C ATOM 336 O LEU A 27 44.386 -21.929 -8.384 1.00 13.21 O ATOM 337 CB LEU A 27 43.804 -23.663 -5.912 1.00 70.13 C ATOM 338 CG LEU A 27 43.090 -24.048 -4.621 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.639 -25.496 -4.670 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.000 -23.822 -3.428 1.00 40.21 C ATOM 0 HA LEU A 27 44.843 -21.956 -5.173 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.154 -23.908 -6.752 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.697 -24.281 -6.010 1.00 70.13 H new ATOM 0 HG LEU A 27 42.208 -23.416 -4.515 1.00 24.53 H new ATOM 0 HD11 LEU A 27 42.132 -25.751 -3.739 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.954 -25.636 -5.507 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.507 -26.143 -4.799 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.477 -24.101 -2.513 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.897 -24.432 -3.534 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.281 -22.770 -3.379 1.00 40.21 H new ATOM 352 N VAL A 28 46.246 -21.808 -7.196 1.00 40.25 N ATOM 353 CA VAL A 28 47.090 -21.544 -8.326 1.00 11.42 C ATOM 354 C VAL A 28 47.794 -22.814 -8.766 1.00 51.22 C ATOM 355 O VAL A 28 47.969 -23.747 -7.970 1.00 23.41 O ATOM 356 CB VAL A 28 48.083 -20.396 -8.020 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.310 -19.114 -7.717 1.00 1.12 C ATOM 358 CG2 VAL A 28 48.998 -20.732 -6.854 1.00 61.10 C ATOM 0 H VAL A 28 46.743 -21.852 -6.306 1.00 40.25 H new ATOM 0 HA VAL A 28 46.471 -21.209 -9.158 1.00 11.42 H new ATOM 0 HB VAL A 28 48.709 -20.255 -8.901 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.012 -18.308 -7.502 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.701 -18.844 -8.580 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.665 -19.274 -6.853 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.678 -19.900 -6.674 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.399 -20.911 -5.961 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.574 -21.627 -7.090 1.00 61.10 H new ATOM 368 N ARG A 29 48.166 -22.863 -10.025 1.00 35.24 N ATOM 369 CA ARG A 29 48.735 -24.068 -10.612 1.00 74.24 C ATOM 370 C ARG A 29 50.239 -23.850 -10.732 1.00 40.32 C ATOM 371 O ARG A 29 50.664 -22.974 -11.475 1.00 20.51 O ATOM 372 CB ARG A 29 48.159 -24.312 -12.024 1.00 11.01 C ATOM 373 CG ARG A 29 46.722 -23.823 -12.266 1.00 63.52 C ATOM 374 CD ARG A 29 45.702 -24.446 -11.336 1.00 40.33 C ATOM 375 NE ARG A 29 45.493 -25.875 -11.586 1.00 65.21 N ATOM 376 CZ ARG A 29 44.297 -26.489 -11.577 1.00 15.23 C ATOM 377 NH1 ARG A 29 43.173 -25.790 -11.330 1.00 52.24 N ATOM 378 NH2 ARG A 29 44.225 -27.788 -11.844 1.00 32.15 N ATOM 0 H ARG A 29 48.086 -22.078 -10.672 1.00 35.24 H new ATOM 0 HA ARG A 29 48.499 -24.929 -9.987 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.812 -23.827 -12.749 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.195 -25.382 -12.228 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.692 -22.740 -12.150 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.442 -24.041 -13.297 1.00 63.52 H new ATOM 0 HD2 ARG A 29 46.027 -24.307 -10.305 1.00 40.33 H new ATOM 0 HD3 ARG A 29 44.753 -23.922 -11.444 1.00 40.33 H new ATOM 0 HE ARG A 29 46.316 -26.446 -11.781 1.00 65.21 H new ATOM 0 HH11 ARG A 29 43.225 -24.788 -11.148 1.00 52.24 H new ATOM 0 HH12 ARG A 29 42.269 -26.263 -11.325 1.00 52.24 H new ATOM 0 HH21 ARG A 29 45.074 -28.313 -12.054 1.00 32.15 H new ATOM 0 HH22 ARG A 29 43.321 -28.260 -11.839 1.00 32.15 H new ATOM 392 N PRO A 30 51.056 -24.615 -10.013 1.00 1.41 N ATOM 393 CA PRO A 30 52.500 -24.384 -9.956 1.00 43.14 C ATOM 394 C PRO A 30 53.295 -24.947 -11.132 1.00 24.23 C ATOM 395 O PRO A 30 52.914 -25.946 -11.756 1.00 23.12 O ATOM 396 CB PRO A 30 52.914 -25.123 -8.688 1.00 54.02 C ATOM 397 CG PRO A 30 51.951 -26.259 -8.582 1.00 53.23 C ATOM 398 CD PRO A 30 50.653 -25.785 -9.199 1.00 55.33 C ATOM 0 HA PRO A 30 52.706 -23.314 -9.980 1.00 43.14 H new ATOM 0 HB2 PRO A 30 53.942 -25.480 -8.755 1.00 54.02 H new ATOM 0 HB3 PRO A 30 52.858 -24.473 -7.815 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.330 -27.138 -9.104 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.803 -26.546 -7.541 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.195 -26.561 -9.813 1.00 55.33 H new ATOM 0 HD3 PRO A 30 49.924 -25.510 -8.436 1.00 55.33 H new ATOM 406 N LYS A 31 54.377 -24.281 -11.443 1.00 71.41 N ATOM 407 CA LYS A 31 55.370 -24.811 -12.343 1.00 13.12 C ATOM 408 C LYS A 31 56.294 -25.699 -11.486 1.00 60.43 C ATOM 409 O LYS A 31 56.319 -25.520 -10.251 1.00 12.54 O ATOM 410 CB LYS A 31 56.142 -23.655 -13.022 1.00 45.42 C ATOM 411 CG LYS A 31 55.283 -22.827 -13.972 1.00 33.03 C ATOM 412 CD LYS A 31 56.046 -21.645 -14.558 1.00 44.22 C ATOM 413 CE LYS A 31 55.135 -20.801 -15.446 1.00 72.11 C ATOM 414 NZ LYS A 31 55.796 -19.577 -15.964 1.00 53.45 N ATOM 0 H LYS A 31 54.595 -23.354 -11.079 1.00 71.41 H new ATOM 0 HA LYS A 31 54.926 -25.396 -13.148 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.553 -23.001 -12.253 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.987 -24.067 -13.574 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.924 -23.463 -14.782 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.405 -22.462 -13.440 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.448 -21.030 -13.753 1.00 44.22 H new ATOM 0 HD3 LYS A 31 56.895 -22.006 -15.138 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.795 -21.406 -16.286 1.00 72.11 H new ATOM 0 HE3 LYS A 31 54.249 -20.516 -14.879 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.272 -19.222 -16.789 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.808 -18.848 -15.222 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.772 -19.802 -16.244 1.00 53.45 H new ATOM 428 N PRO A 32 57.056 -26.651 -12.081 1.00 4.31 N ATOM 429 CA PRO A 32 57.898 -27.629 -11.329 1.00 5.12 C ATOM 430 C PRO A 32 58.843 -26.982 -10.319 1.00 74.20 C ATOM 431 O PRO A 32 59.149 -27.564 -9.287 1.00 50.13 O ATOM 432 CB PRO A 32 58.704 -28.330 -12.435 1.00 54.05 C ATOM 433 CG PRO A 32 58.580 -27.425 -13.605 1.00 52.24 C ATOM 434 CD PRO A 32 57.189 -26.882 -13.527 1.00 71.25 C ATOM 0 HA PRO A 32 57.278 -28.295 -10.729 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.746 -28.465 -12.144 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.304 -29.320 -12.653 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.319 -26.625 -13.565 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.742 -27.963 -14.539 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.072 -25.964 -14.103 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.449 -27.590 -13.901 1.00 71.25 H new ATOM 442 N LEU A 33 59.271 -25.780 -10.613 1.00 43.22 N ATOM 443 CA LEU A 33 60.182 -25.045 -9.760 1.00 61.34 C ATOM 444 C LEU A 33 59.529 -24.731 -8.409 1.00 33.42 C ATOM 445 O LEU A 33 60.121 -24.944 -7.332 1.00 21.42 O ATOM 446 CB LEU A 33 60.599 -23.772 -10.475 1.00 61.22 C ATOM 447 CG LEU A 33 61.225 -23.997 -11.851 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.504 -22.686 -12.532 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.493 -24.827 -11.737 1.00 21.44 C ATOM 0 H LEU A 33 58.997 -25.277 -11.457 1.00 43.22 H new ATOM 0 HA LEU A 33 61.065 -25.651 -9.558 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.725 -23.130 -10.587 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.311 -23.235 -9.849 1.00 61.22 H new ATOM 0 HG LEU A 33 60.511 -24.550 -12.462 1.00 51.04 H new ATOM 0 HD11 LEU A 33 61.949 -22.871 -13.509 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.572 -22.135 -12.656 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.194 -22.100 -11.924 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.922 -24.975 -12.728 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.212 -24.307 -11.104 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.256 -25.795 -11.296 1.00 21.44 H new ATOM 461 N LEU A 34 58.303 -24.296 -8.458 1.00 3.45 N ATOM 462 CA LEU A 34 57.597 -23.982 -7.253 1.00 64.14 C ATOM 463 C LEU A 34 57.106 -25.241 -6.606 1.00 22.24 C ATOM 464 O LEU A 34 57.203 -25.390 -5.408 1.00 75.12 O ATOM 465 CB LEU A 34 56.474 -22.952 -7.469 1.00 35.35 C ATOM 466 CG LEU A 34 56.906 -21.464 -7.485 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.971 -21.184 -8.534 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.706 -20.553 -7.689 1.00 52.54 C ATOM 0 H LEU A 34 57.774 -24.151 -9.318 1.00 3.45 H new ATOM 0 HA LEU A 34 58.296 -23.498 -6.571 1.00 64.14 H new ATOM 0 HB2 LEU A 34 55.981 -23.176 -8.415 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.731 -23.085 -6.683 1.00 35.35 H new ATOM 0 HG LEU A 34 57.346 -21.252 -6.511 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.241 -20.128 -8.506 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.853 -21.789 -8.327 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.583 -21.433 -9.522 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.035 -19.514 -7.697 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.227 -20.789 -8.639 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.994 -20.702 -6.877 1.00 52.54 H new ATOM 480 N LEU A 35 56.675 -26.185 -7.423 1.00 65.12 N ATOM 481 CA LEU A 35 56.192 -27.462 -6.931 1.00 5.32 C ATOM 482 C LEU A 35 57.283 -28.189 -6.129 1.00 54.41 C ATOM 483 O LEU A 35 57.014 -28.713 -5.047 1.00 53.44 O ATOM 484 CB LEU A 35 55.714 -28.326 -8.088 1.00 2.42 C ATOM 485 CG LEU A 35 54.956 -29.594 -7.700 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.683 -29.252 -6.929 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.615 -30.379 -8.930 1.00 71.40 C ATOM 0 H LEU A 35 56.650 -26.089 -8.438 1.00 65.12 H new ATOM 0 HA LEU A 35 55.351 -27.276 -6.264 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.070 -27.721 -8.727 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.580 -28.611 -8.686 1.00 2.42 H new ATOM 0 HG LEU A 35 55.596 -30.195 -7.054 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.160 -30.171 -6.664 1.00 24.24 H new ATOM 0 HD12 LEU A 35 53.943 -28.707 -6.021 1.00 24.24 H new ATOM 0 HD13 LEU A 35 53.036 -28.633 -7.551 1.00 24.24 H new ATOM 0 HD21 LEU A 35 54.075 -31.282 -8.647 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.991 -29.773 -9.587 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.532 -30.653 -9.452 1.00 71.40 H new ATOM 499 N LYS A 36 58.529 -28.155 -6.630 1.00 42.34 N ATOM 500 CA LYS A 36 59.635 -28.809 -5.934 1.00 34.14 C ATOM 501 C LYS A 36 59.908 -28.114 -4.603 1.00 62.12 C ATOM 502 O LYS A 36 60.199 -28.770 -3.602 1.00 31.42 O ATOM 503 CB LYS A 36 60.946 -28.848 -6.775 1.00 22.41 C ATOM 504 CG LYS A 36 61.647 -27.500 -6.923 1.00 43.13 C ATOM 505 CD LYS A 36 62.977 -27.599 -7.645 1.00 75.31 C ATOM 506 CE LYS A 36 63.686 -26.242 -7.684 1.00 21.21 C ATOM 507 NZ LYS A 36 64.006 -25.722 -6.321 1.00 23.02 N ATOM 0 H LYS A 36 58.787 -27.689 -7.500 1.00 42.34 H new ATOM 0 HA LYS A 36 59.325 -29.840 -5.765 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.637 -29.553 -6.314 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.714 -29.233 -7.768 1.00 22.41 H new ATOM 0 HG2 LYS A 36 60.995 -26.816 -7.466 1.00 43.13 H new ATOM 0 HG3 LYS A 36 61.808 -27.070 -5.934 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.612 -28.330 -7.145 1.00 75.31 H new ATOM 0 HD3 LYS A 36 62.817 -27.958 -8.662 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.607 -26.334 -8.259 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.055 -25.522 -8.205 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 64.708 -24.959 -6.397 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 63.140 -25.353 -5.878 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 64.393 -26.491 -5.738 1.00 23.02 H new ATOM 521 N LEU A 37 59.751 -26.779 -4.565 1.00 21.34 N ATOM 522 CA LEU A 37 60.053 -26.067 -3.338 1.00 4.13 C ATOM 523 C LEU A 37 58.957 -26.323 -2.323 1.00 55.22 C ATOM 524 O LEU A 37 59.218 -26.495 -1.150 1.00 44.31 O ATOM 525 CB LEU A 37 60.340 -24.543 -3.574 1.00 20.40 C ATOM 526 CG LEU A 37 59.184 -23.573 -3.928 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.369 -23.174 -2.692 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.728 -22.337 -4.629 1.00 24.22 C ATOM 0 H LEU A 37 59.429 -26.202 -5.342 1.00 21.34 H new ATOM 0 HA LEU A 37 60.986 -26.456 -2.931 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.816 -24.161 -2.671 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.075 -24.474 -4.375 1.00 20.40 H new ATOM 0 HG LEU A 37 58.510 -24.099 -4.604 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.570 -22.494 -2.987 1.00 0.31 H new ATOM 0 HD12 LEU A 37 57.937 -24.066 -2.238 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.020 -22.678 -1.972 1.00 0.31 H new ATOM 0 HD21 LEU A 37 58.905 -21.665 -4.872 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.432 -21.826 -3.972 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.237 -22.633 -5.546 1.00 24.22 H new ATOM 540 N LEU A 38 57.737 -26.413 -2.816 1.00 2.01 N ATOM 541 CA LEU A 38 56.576 -26.659 -1.995 1.00 62.52 C ATOM 542 C LEU A 38 56.642 -28.041 -1.368 1.00 61.11 C ATOM 543 O LEU A 38 56.560 -28.193 -0.146 1.00 21.21 O ATOM 544 CB LEU A 38 55.299 -26.566 -2.840 1.00 42.14 C ATOM 545 CG LEU A 38 54.985 -25.221 -3.486 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.820 -25.365 -4.442 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.682 -24.164 -2.438 1.00 34.23 C ATOM 0 H LEU A 38 57.526 -26.316 -3.809 1.00 2.01 H new ATOM 0 HA LEU A 38 56.559 -25.904 -1.209 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.362 -27.313 -3.631 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.455 -26.842 -2.208 1.00 42.14 H new ATOM 0 HG LEU A 38 55.865 -24.897 -4.042 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.603 -24.399 -4.899 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.074 -26.085 -5.220 1.00 63.33 H new ATOM 0 HD13 LEU A 38 52.943 -25.714 -3.897 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.462 -23.216 -2.930 1.00 34.23 H new ATOM 0 HD22 LEU A 38 53.821 -24.474 -1.847 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.546 -24.042 -1.784 1.00 34.23 H new ATOM 559 N LYS A 39 56.861 -29.044 -2.185 1.00 4.41 N ATOM 560 CA LYS A 39 56.749 -30.405 -1.726 1.00 72.50 C ATOM 561 C LYS A 39 57.951 -30.827 -0.916 1.00 71.11 C ATOM 562 O LYS A 39 57.931 -31.868 -0.272 1.00 23.23 O ATOM 563 CB LYS A 39 56.493 -31.361 -2.883 1.00 34.33 C ATOM 564 CG LYS A 39 55.271 -30.995 -3.721 1.00 51.34 C ATOM 565 CD LYS A 39 55.069 -31.971 -4.869 1.00 50.31 C ATOM 566 CE LYS A 39 54.467 -33.288 -4.414 1.00 14.03 C ATOM 567 NZ LYS A 39 53.061 -33.120 -3.998 1.00 31.25 N ATOM 0 H LYS A 39 57.117 -28.942 -3.167 1.00 4.41 H new ATOM 0 HA LYS A 39 55.885 -30.451 -1.063 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.372 -31.381 -3.527 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.364 -32.369 -2.488 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.384 -30.988 -3.088 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.389 -29.986 -4.116 1.00 51.34 H new ATOM 0 HD2 LYS A 39 54.419 -31.517 -5.617 1.00 50.31 H new ATOM 0 HD3 LYS A 39 56.027 -32.161 -5.353 1.00 50.31 H new ATOM 0 HE2 LYS A 39 54.524 -34.015 -5.224 1.00 14.03 H new ATOM 0 HE3 LYS A 39 55.049 -33.689 -3.584 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.594 -34.049 -3.970 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.028 -32.687 -3.053 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 52.569 -32.506 -4.678 1.00 31.25 H new ATOM 581 N SER A 40 58.989 -30.031 -0.926 1.00 51.14 N ATOM 582 CA SER A 40 60.120 -30.336 -0.110 1.00 42.10 C ATOM 583 C SER A 40 60.011 -29.654 1.277 1.00 14.45 C ATOM 584 O SER A 40 60.636 -30.087 2.247 1.00 42.43 O ATOM 585 CB SER A 40 61.425 -30.009 -0.850 1.00 12.23 C ATOM 586 OG SER A 40 61.484 -28.652 -1.275 1.00 61.15 O ATOM 0 H SER A 40 59.069 -29.181 -1.483 1.00 51.14 H new ATOM 0 HA SER A 40 60.136 -31.408 0.086 1.00 42.10 H new ATOM 0 HB2 SER A 40 62.272 -30.219 -0.197 1.00 12.23 H new ATOM 0 HB3 SER A 40 61.521 -30.663 -1.717 1.00 12.23 H new ATOM 0 HG SER A 40 60.844 -28.509 -2.004 1.00 61.15 H new ATOM 592 N VAL A 41 59.165 -28.623 1.385 1.00 11.22 N ATOM 593 CA VAL A 41 59.007 -27.911 2.657 1.00 71.41 C ATOM 594 C VAL A 41 57.736 -28.305 3.406 1.00 64.32 C ATOM 595 O VAL A 41 57.385 -27.697 4.426 1.00 51.12 O ATOM 596 CB VAL A 41 59.087 -26.377 2.516 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.443 -25.962 1.976 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.966 -25.842 1.648 1.00 74.11 C ATOM 0 H VAL A 41 58.589 -28.268 0.622 1.00 11.22 H new ATOM 0 HA VAL A 41 59.862 -28.230 3.253 1.00 71.41 H new ATOM 0 HB VAL A 41 58.966 -25.941 3.508 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.481 -24.877 1.883 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.224 -26.295 2.659 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.599 -26.416 0.997 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.052 -24.758 1.570 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.033 -26.284 0.654 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.006 -26.098 2.095 1.00 74.11 H new ATOM 608 N GLY A 42 57.063 -29.316 2.923 1.00 13.41 N ATOM 609 CA GLY A 42 55.907 -29.810 3.631 1.00 34.34 C ATOM 610 C GLY A 42 54.590 -29.529 2.963 1.00 74.23 C ATOM 611 O GLY A 42 53.559 -29.503 3.630 1.00 22.34 O ATOM 0 H GLY A 42 57.288 -29.808 2.058 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.010 -30.887 3.760 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.894 -29.370 4.628 1.00 34.34 H new ATOM 615 N ALA A 43 54.586 -29.318 1.664 1.00 52.43 N ATOM 616 CA ALA A 43 53.324 -29.127 0.972 1.00 31.35 C ATOM 617 C ALA A 43 52.794 -30.469 0.569 1.00 13.11 C ATOM 618 O ALA A 43 53.403 -31.176 -0.245 1.00 2.23 O ATOM 619 CB ALA A 43 53.453 -28.224 -0.241 1.00 2.41 C ATOM 0 H ALA A 43 55.418 -29.274 1.076 1.00 52.43 H new ATOM 0 HA ALA A 43 52.633 -28.630 1.653 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.480 -28.116 -0.720 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.814 -27.244 0.072 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.158 -28.662 -0.947 1.00 2.41 H new ATOM 625 N GLN A 44 51.691 -30.833 1.151 1.00 11.11 N ATOM 626 CA GLN A 44 51.083 -32.121 0.915 1.00 14.10 C ATOM 627 C GLN A 44 50.226 -32.111 -0.325 1.00 41.31 C ATOM 628 O GLN A 44 49.916 -33.165 -0.888 1.00 14.35 O ATOM 629 CB GLN A 44 50.246 -32.535 2.107 1.00 34.11 C ATOM 630 CG GLN A 44 51.036 -32.708 3.378 1.00 12.52 C ATOM 631 CD GLN A 44 50.193 -33.282 4.496 1.00 43.54 C ATOM 632 OE1 GLN A 44 50.086 -34.502 4.651 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.622 -32.433 5.296 1.00 5.12 N ATOM 0 H GLN A 44 51.179 -30.245 1.809 1.00 11.11 H new ATOM 0 HA GLN A 44 51.888 -32.840 0.768 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.471 -31.786 2.272 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.740 -33.472 1.875 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.885 -33.365 3.190 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.441 -31.744 3.687 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.731 -31.431 5.139 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.064 -32.768 6.082 1.00 5.12 H new ATOM 642 N LYS A 45 49.850 -30.946 -0.748 1.00 34.22 N ATOM 643 CA LYS A 45 48.991 -30.795 -1.893 1.00 1.22 C ATOM 644 C LYS A 45 49.816 -30.391 -3.098 1.00 34.45 C ATOM 645 O LYS A 45 51.013 -30.104 -2.974 1.00 73.42 O ATOM 646 CB LYS A 45 47.947 -29.722 -1.617 1.00 41.14 C ATOM 647 CG LYS A 45 47.090 -29.976 -0.380 1.00 41.43 C ATOM 648 CD LYS A 45 46.125 -28.825 -0.123 1.00 52.41 C ATOM 649 CE LYS A 45 46.868 -27.516 0.168 1.00 2.42 C ATOM 650 NZ LYS A 45 45.958 -26.376 0.345 1.00 21.35 N ATOM 0 H LYS A 45 50.127 -30.067 -0.312 1.00 34.22 H new ATOM 0 HA LYS A 45 48.492 -31.744 -2.092 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.452 -28.763 -1.503 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.293 -29.637 -2.485 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.528 -30.901 -0.509 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.734 -30.113 0.488 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.479 -28.691 -0.991 1.00 52.41 H new ATOM 0 HD3 LYS A 45 45.480 -29.072 0.720 1.00 52.41 H new ATOM 0 HE2 LYS A 45 47.471 -27.637 1.068 1.00 2.42 H new ATOM 0 HE3 LYS A 45 47.556 -27.303 -0.651 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 46.432 -25.637 0.903 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.696 -25.993 -0.586 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.101 -26.690 0.844 1.00 21.35 H new ATOM 664 N ASP A 46 49.196 -30.400 -4.257 1.00 71.23 N ATOM 665 CA ASP A 46 49.853 -29.940 -5.469 1.00 33.11 C ATOM 666 C ASP A 46 49.254 -28.616 -5.899 1.00 43.41 C ATOM 667 O ASP A 46 49.702 -27.996 -6.854 1.00 45.42 O ATOM 668 CB ASP A 46 49.780 -30.971 -6.608 1.00 22.43 C ATOM 669 CG ASP A 46 50.479 -32.273 -6.273 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.726 -32.301 -6.168 1.00 72.22 O ATOM 671 OD2 ASP A 46 49.792 -33.310 -6.124 1.00 45.24 O ATOM 0 H ASP A 46 48.237 -30.720 -4.390 1.00 71.23 H new ATOM 0 HA ASP A 46 50.911 -29.806 -5.244 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.735 -31.175 -6.839 1.00 22.43 H new ATOM 0 HB3 ASP A 46 50.228 -30.545 -7.506 1.00 22.43 H new ATOM 676 N THR A 47 48.224 -28.201 -5.191 1.00 73.34 N ATOM 677 CA THR A 47 47.615 -26.917 -5.385 1.00 64.41 C ATOM 678 C THR A 47 47.761 -26.108 -4.127 1.00 71.43 C ATOM 679 O THR A 47 47.939 -26.673 -3.031 1.00 40.44 O ATOM 680 CB THR A 47 46.142 -27.017 -5.770 1.00 20.33 C ATOM 681 OG1 THR A 47 45.481 -28.031 -4.972 1.00 44.41 O ATOM 682 CG2 THR A 47 45.983 -27.266 -7.266 1.00 54.35 C ATOM 0 H THR A 47 47.787 -28.759 -4.457 1.00 73.34 H new ATOM 0 HA THR A 47 48.127 -26.430 -6.215 1.00 64.41 H new ATOM 0 HB THR A 47 45.658 -26.064 -5.557 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.536 -28.084 -5.227 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.923 -27.333 -7.513 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.434 -26.444 -7.822 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.478 -28.199 -7.534 1.00 54.35 H new ATOM 690 N TYR A 48 47.687 -24.817 -4.263 1.00 21.32 N ATOM 691 CA TYR A 48 47.930 -23.926 -3.172 1.00 72.11 C ATOM 692 C TYR A 48 47.387 -22.548 -3.520 1.00 63.32 C ATOM 693 O TYR A 48 47.251 -22.227 -4.694 1.00 44.22 O ATOM 694 CB TYR A 48 49.469 -23.896 -2.868 1.00 30.34 C ATOM 695 CG TYR A 48 50.403 -23.435 -4.003 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.253 -23.884 -5.311 1.00 21.34 C ATOM 697 CD2 TYR A 48 51.439 -22.554 -3.748 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.089 -23.472 -6.313 1.00 2.02 C ATOM 699 CE2 TYR A 48 52.290 -22.136 -4.761 1.00 12.51 C ATOM 700 CZ TYR A 48 52.105 -22.599 -6.037 1.00 2.34 C ATOM 701 OH TYR A 48 52.941 -22.184 -7.046 1.00 72.12 O ATOM 0 H TYR A 48 47.455 -24.352 -5.140 1.00 21.32 H new ATOM 0 HA TYR A 48 47.418 -24.266 -2.272 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.631 -23.242 -2.011 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.773 -24.898 -2.567 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.456 -24.576 -5.542 1.00 21.34 H new ATOM 0 HD2 TYR A 48 51.588 -22.186 -2.744 1.00 63.43 H new ATOM 0 HE1 TYR A 48 50.947 -23.836 -7.320 1.00 2.02 H new ATOM 0 HE2 TYR A 48 53.095 -21.449 -4.545 1.00 12.51 H new ATOM 0 HH TYR A 48 52.886 -21.210 -7.137 1.00 72.12 H new ATOM 711 N THR A 49 47.005 -21.778 -2.529 1.00 4.35 N ATOM 712 CA THR A 49 46.547 -20.420 -2.746 1.00 1.34 C ATOM 713 C THR A 49 47.753 -19.511 -2.660 1.00 15.00 C ATOM 714 O THR A 49 48.856 -19.986 -2.382 1.00 52.25 O ATOM 715 CB THR A 49 45.556 -19.985 -1.645 1.00 51.02 C ATOM 716 OG1 THR A 49 46.182 -20.118 -0.361 1.00 64.22 O ATOM 717 CG2 THR A 49 44.288 -20.805 -1.676 1.00 61.52 C ATOM 0 H THR A 49 47.002 -22.071 -1.552 1.00 4.35 H new ATOM 0 HA THR A 49 46.051 -20.363 -3.715 1.00 1.34 H new ATOM 0 HB THR A 49 45.285 -18.945 -1.828 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.555 -19.841 0.339 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.617 -20.468 -0.886 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.800 -20.684 -2.643 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.531 -21.856 -1.522 1.00 61.52 H new ATOM 725 N MET A 50 47.557 -18.211 -2.838 1.00 21.14 N ATOM 726 CA MET A 50 48.651 -17.263 -2.684 1.00 1.43 C ATOM 727 C MET A 50 49.140 -17.230 -1.242 1.00 72.53 C ATOM 728 O MET A 50 50.315 -16.995 -0.972 1.00 74.21 O ATOM 729 CB MET A 50 48.274 -15.857 -3.145 1.00 22.31 C ATOM 730 CG MET A 50 48.065 -15.732 -4.646 1.00 4.50 C ATOM 731 SD MET A 50 48.815 -14.236 -5.313 1.00 33.11 S ATOM 732 CE MET A 50 50.525 -14.551 -4.871 1.00 73.31 C ATOM 0 H MET A 50 46.661 -17.793 -3.086 1.00 21.14 H new ATOM 0 HA MET A 50 49.459 -17.611 -3.327 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.360 -15.552 -2.635 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.057 -15.163 -2.839 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.490 -16.603 -5.144 1.00 4.50 H new ATOM 0 HG3 MET A 50 46.997 -15.730 -4.864 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.177 -14.219 -5.679 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.771 -14.007 -3.959 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.667 -15.619 -4.706 1.00 73.31 H new ATOM 742 N LYS A 51 48.244 -17.522 -0.333 1.00 14.32 N ATOM 743 CA LYS A 51 48.562 -17.549 1.084 1.00 64.44 C ATOM 744 C LYS A 51 49.346 -18.809 1.422 1.00 30.11 C ATOM 745 O LYS A 51 50.218 -18.803 2.297 1.00 14.04 O ATOM 746 CB LYS A 51 47.297 -17.476 1.915 1.00 41.10 C ATOM 747 CG LYS A 51 46.420 -16.304 1.557 1.00 73.21 C ATOM 748 CD LYS A 51 45.322 -16.131 2.561 1.00 42.42 C ATOM 749 CE LYS A 51 44.407 -14.998 2.177 1.00 70.32 C ATOM 750 NZ LYS A 51 43.539 -14.609 3.294 1.00 25.31 N ATOM 0 H LYS A 51 47.273 -17.748 -0.548 1.00 14.32 H new ATOM 0 HA LYS A 51 49.177 -16.680 1.318 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.731 -18.398 1.785 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.566 -17.412 2.969 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.021 -15.396 1.510 1.00 73.21 H new ATOM 0 HG3 LYS A 51 45.992 -16.455 0.566 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.748 -17.055 2.639 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.751 -15.938 3.544 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.000 -14.141 1.860 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.795 -15.295 1.325 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 42.842 -13.911 2.965 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 43.043 -15.448 3.657 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.115 -14.192 4.053 1.00 25.31 H new ATOM 764 N GLU A 52 49.044 -19.875 0.717 1.00 55.54 N ATOM 765 CA GLU A 52 49.773 -21.127 0.866 1.00 75.23 C ATOM 766 C GLU A 52 51.198 -20.932 0.377 1.00 14.34 C ATOM 767 O GLU A 52 52.139 -21.503 0.937 1.00 34.14 O ATOM 768 CB GLU A 52 49.106 -22.245 0.080 1.00 51.14 C ATOM 769 CG GLU A 52 47.772 -22.729 0.623 1.00 60.21 C ATOM 770 CD GLU A 52 47.896 -23.549 1.881 1.00 40.45 C ATOM 771 OE1 GLU A 52 48.215 -22.988 2.943 1.00 34.40 O ATOM 772 OE2 GLU A 52 47.643 -24.775 1.831 1.00 4.25 O ATOM 0 H GLU A 52 48.293 -19.906 0.027 1.00 55.54 H new ATOM 0 HA GLU A 52 49.774 -21.410 1.919 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.958 -21.905 -0.945 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.790 -23.093 0.039 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.136 -21.867 0.822 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.272 -23.324 -0.141 1.00 60.21 H new ATOM 779 N VAL A 53 51.362 -20.086 -0.654 1.00 43.32 N ATOM 780 CA VAL A 53 52.685 -19.767 -1.167 1.00 51.12 C ATOM 781 C VAL A 53 53.453 -19.094 -0.069 1.00 21.10 C ATOM 782 O VAL A 53 54.545 -19.473 0.225 1.00 11.23 O ATOM 783 CB VAL A 53 52.654 -18.802 -2.365 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.996 -18.777 -3.034 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.580 -19.157 -3.345 1.00 10.42 C ATOM 0 H VAL A 53 50.595 -19.619 -1.139 1.00 43.32 H new ATOM 0 HA VAL A 53 53.140 -20.700 -1.501 1.00 51.12 H new ATOM 0 HB VAL A 53 52.422 -17.806 -1.987 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.967 -18.092 -3.881 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.751 -18.443 -2.322 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.246 -19.778 -3.385 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.595 -18.449 -4.174 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.752 -20.164 -3.725 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.609 -19.117 -2.851 1.00 10.42 H new ATOM 795 N LEU A 54 52.836 -18.118 0.556 1.00 70.30 N ATOM 796 CA LEU A 54 53.441 -17.404 1.675 1.00 2.43 C ATOM 797 C LEU A 54 53.915 -18.378 2.733 1.00 14.03 C ATOM 798 O LEU A 54 55.031 -18.295 3.205 1.00 21.52 O ATOM 799 CB LEU A 54 52.470 -16.404 2.318 1.00 11.33 C ATOM 800 CG LEU A 54 51.874 -15.338 1.408 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.097 -14.319 2.204 1.00 70.35 C ATOM 802 CD2 LEU A 54 52.930 -14.703 0.534 1.00 72.44 C ATOM 0 H LEU A 54 51.902 -17.791 0.310 1.00 70.30 H new ATOM 0 HA LEU A 54 54.288 -16.849 1.271 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.650 -16.967 2.763 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.991 -15.901 3.133 1.00 11.33 H new ATOM 0 HG LEU A 54 51.167 -15.825 0.736 1.00 21.01 H new ATOM 0 HD11 LEU A 54 50.682 -13.570 1.530 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.286 -14.815 2.738 1.00 70.35 H new ATOM 0 HD13 LEU A 54 51.760 -13.835 2.921 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.469 -13.947 -0.102 1.00 72.44 H new ATOM 0 HD22 LEU A 54 53.689 -14.236 1.162 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.395 -15.467 -0.089 1.00 72.44 H new ATOM 814 N PHE A 55 53.107 -19.346 3.027 1.00 3.44 N ATOM 815 CA PHE A 55 53.461 -20.264 4.064 1.00 31.34 C ATOM 816 C PHE A 55 54.626 -21.165 3.635 1.00 34.30 C ATOM 817 O PHE A 55 55.665 -21.168 4.268 1.00 13.01 O ATOM 818 CB PHE A 55 52.249 -21.081 4.542 1.00 43.03 C ATOM 819 CG PHE A 55 52.542 -21.985 5.716 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.609 -21.471 6.999 1.00 43.53 C ATOM 821 CD2 PHE A 55 52.755 -23.341 5.536 1.00 13.12 C ATOM 822 CE1 PHE A 55 52.883 -22.291 8.079 1.00 44.21 C ATOM 823 CE2 PHE A 55 53.030 -24.166 6.611 1.00 72.04 C ATOM 824 CZ PHE A 55 53.093 -23.641 7.884 1.00 42.14 C ATOM 0 H PHE A 55 52.211 -19.521 2.573 1.00 3.44 H new ATOM 0 HA PHE A 55 53.801 -19.678 4.918 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.447 -20.396 4.816 1.00 43.03 H new ATOM 0 HB3 PHE A 55 51.882 -21.686 3.713 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.445 -20.416 7.159 1.00 43.53 H new ATOM 0 HD2 PHE A 55 52.706 -23.760 4.542 1.00 13.12 H new ATOM 0 HE1 PHE A 55 52.933 -21.875 9.074 1.00 44.21 H new ATOM 0 HE2 PHE A 55 53.195 -25.222 6.453 1.00 72.04 H new ATOM 0 HZ PHE A 55 53.306 -24.284 8.726 1.00 42.14 H new ATOM 834 N TYR A 56 54.469 -21.861 2.538 1.00 63.30 N ATOM 835 CA TYR A 56 55.463 -22.836 2.111 1.00 1.22 C ATOM 836 C TYR A 56 56.689 -22.214 1.447 1.00 62.54 C ATOM 837 O TYR A 56 57.810 -22.647 1.697 1.00 21.03 O ATOM 838 CB TYR A 56 54.846 -23.897 1.209 1.00 51.34 C ATOM 839 CG TYR A 56 53.759 -24.683 1.889 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.065 -25.595 2.881 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.430 -24.496 1.554 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.074 -26.297 3.528 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.430 -25.197 2.191 1.00 32.12 C ATOM 844 CZ TYR A 56 51.759 -26.094 3.178 1.00 61.21 C ATOM 845 OH TYR A 56 50.767 -26.782 3.834 1.00 44.45 O ATOM 0 H TYR A 56 53.664 -21.777 1.917 1.00 63.30 H new ATOM 0 HA TYR A 56 55.818 -23.310 3.026 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.438 -23.418 0.319 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.626 -24.580 0.874 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.097 -25.759 3.153 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.172 -23.788 0.780 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.327 -27.003 4.305 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.397 -25.043 1.917 1.00 32.12 H new ATOM 0 HH TYR A 56 49.894 -26.525 3.469 1.00 44.45 H new ATOM 855 N LEU A 57 56.494 -21.187 0.642 1.00 33.41 N ATOM 856 CA LEU A 57 57.609 -20.570 -0.055 1.00 40.31 C ATOM 857 C LEU A 57 58.479 -19.866 0.985 1.00 40.54 C ATOM 858 O LEU A 57 59.710 -19.879 0.905 1.00 5.14 O ATOM 859 CB LEU A 57 57.105 -19.595 -1.166 1.00 53.03 C ATOM 860 CG LEU A 57 58.075 -19.290 -2.339 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.374 -18.551 -3.458 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.260 -18.479 -1.904 1.00 3.30 C ATOM 0 H LEU A 57 55.584 -20.765 0.455 1.00 33.41 H new ATOM 0 HA LEU A 57 58.204 -21.325 -0.569 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.187 -20.007 -1.586 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.842 -18.650 -0.691 1.00 53.03 H new ATOM 0 HG LEU A 57 58.423 -20.260 -2.695 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.082 -18.353 -4.263 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.553 -19.160 -3.838 1.00 53.32 H new ATOM 0 HD13 LEU A 57 56.981 -17.607 -3.080 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.908 -18.293 -2.761 1.00 3.30 H new ATOM 0 HD22 LEU A 57 58.919 -17.529 -1.493 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.815 -19.026 -1.142 1.00 3.30 H new ATOM 874 N GLY A 58 57.814 -19.329 2.002 1.00 34.05 N ATOM 875 CA GLY A 58 58.499 -18.672 3.093 1.00 74.30 C ATOM 876 C GLY A 58 59.373 -19.627 3.858 1.00 10.41 C ATOM 877 O GLY A 58 60.471 -19.253 4.295 1.00 32.52 O ATOM 0 H GLY A 58 56.798 -19.340 2.087 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.107 -17.856 2.702 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.767 -18.229 3.768 1.00 74.30 H new ATOM 881 N GLN A 59 58.903 -20.881 4.002 1.00 63.23 N ATOM 882 CA GLN A 59 59.681 -21.919 4.675 1.00 64.13 C ATOM 883 C GLN A 59 60.983 -22.092 3.933 1.00 12.12 C ATOM 884 O GLN A 59 62.046 -21.922 4.493 1.00 60.00 O ATOM 885 CB GLN A 59 58.957 -23.279 4.668 1.00 61.45 C ATOM 886 CG GLN A 59 57.543 -23.264 5.195 1.00 71.21 C ATOM 887 CD GLN A 59 57.423 -22.773 6.614 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.312 -22.956 7.441 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.346 -22.110 6.887 1.00 73.55 N ATOM 0 H GLN A 59 57.993 -21.191 3.661 1.00 63.23 H new ATOM 0 HA GLN A 59 59.831 -21.609 5.709 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.941 -23.658 3.646 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.540 -23.984 5.260 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.932 -22.632 4.550 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.133 -24.272 5.134 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.631 -21.981 6.171 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.212 -21.717 7.818 1.00 73.55 H new ATOM 898 N TYR A 60 60.850 -22.344 2.639 1.00 52.35 N ATOM 899 CA TYR A 60 61.952 -22.628 1.712 1.00 12.25 C ATOM 900 C TYR A 60 63.064 -21.573 1.789 1.00 54.12 C ATOM 901 O TYR A 60 64.242 -21.909 1.887 1.00 53.15 O ATOM 902 CB TYR A 60 61.367 -22.707 0.294 1.00 33.44 C ATOM 903 CG TYR A 60 62.319 -23.099 -0.819 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.744 -24.413 -0.971 1.00 3.25 C ATOM 905 CD2 TYR A 60 62.734 -22.163 -1.757 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.555 -24.782 -2.030 1.00 41.23 C ATOM 907 CE2 TYR A 60 63.556 -22.520 -2.808 1.00 63.13 C ATOM 908 CZ TYR A 60 63.959 -23.830 -2.945 1.00 64.01 C ATOM 909 OH TYR A 60 64.748 -24.199 -4.018 1.00 62.05 O ATOM 0 H TYR A 60 59.938 -22.358 2.182 1.00 52.35 H new ATOM 0 HA TYR A 60 62.417 -23.575 1.988 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.545 -23.423 0.305 1.00 33.44 H new ATOM 0 HB3 TYR A 60 60.940 -21.735 0.048 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.437 -25.158 -0.252 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.408 -21.138 -1.663 1.00 22.44 H new ATOM 0 HE1 TYR A 60 63.870 -25.809 -2.140 1.00 41.23 H new ATOM 0 HE2 TYR A 60 63.881 -21.775 -3.519 1.00 63.13 H new ATOM 0 HH TYR A 60 65.651 -23.838 -3.899 1.00 62.05 H new ATOM 919 N ILE A 61 62.675 -20.314 1.825 1.00 22.33 N ATOM 920 CA ILE A 61 63.642 -19.220 1.832 1.00 54.32 C ATOM 921 C ILE A 61 64.333 -19.157 3.177 1.00 22.41 C ATOM 922 O ILE A 61 65.553 -18.982 3.266 1.00 45.34 O ATOM 923 CB ILE A 61 62.976 -17.838 1.612 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.061 -17.838 0.409 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.049 -16.755 1.415 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.329 -16.527 0.227 1.00 12.42 C ATOM 0 H ILE A 61 61.699 -20.017 1.850 1.00 22.33 H new ATOM 0 HA ILE A 61 64.339 -19.422 1.018 1.00 54.32 H new ATOM 0 HB ILE A 61 62.382 -17.625 2.501 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.646 -18.049 -0.486 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.334 -18.643 0.512 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.567 -15.789 1.261 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.684 -16.707 2.299 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.657 -17.000 0.544 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.688 -16.587 -0.652 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.719 -16.325 1.108 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.052 -15.722 0.094 1.00 12.42 H new ATOM 938 N MET A 62 63.552 -19.311 4.216 1.00 72.44 N ATOM 939 CA MET A 62 64.041 -19.132 5.554 1.00 41.23 C ATOM 940 C MET A 62 64.854 -20.321 6.048 1.00 61.21 C ATOM 941 O MET A 62 65.957 -20.155 6.546 1.00 12.42 O ATOM 942 CB MET A 62 62.892 -18.855 6.499 1.00 32.32 C ATOM 943 CG MET A 62 63.306 -18.511 7.920 1.00 13.52 C ATOM 944 SD MET A 62 61.894 -18.170 8.993 1.00 44.31 S ATOM 945 CE MET A 62 61.002 -19.723 8.887 1.00 63.31 C ATOM 0 H MET A 62 62.565 -19.563 4.156 1.00 72.44 H new ATOM 0 HA MET A 62 64.713 -18.274 5.534 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.300 -18.032 6.098 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.243 -19.730 6.526 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.883 -19.337 8.336 1.00 13.52 H new ATOM 0 HG3 MET A 62 63.962 -17.641 7.902 1.00 13.52 H new ATOM 0 HE1 MET A 62 60.461 -19.896 9.818 1.00 63.31 H new ATOM 0 HE2 MET A 62 60.295 -19.680 8.059 1.00 63.31 H new ATOM 0 HE3 MET A 62 61.707 -20.537 8.720 1.00 63.31 H new ATOM 955 N THR A 63 64.324 -21.510 5.847 1.00 24.30 N ATOM 956 CA THR A 63 64.913 -22.731 6.378 1.00 13.21 C ATOM 957 C THR A 63 66.282 -23.031 5.741 1.00 64.20 C ATOM 958 O THR A 63 67.169 -23.592 6.383 1.00 74.44 O ATOM 959 CB THR A 63 63.934 -23.957 6.235 1.00 32.20 C ATOM 960 OG1 THR A 63 64.423 -25.084 6.967 1.00 73.21 O ATOM 961 CG2 THR A 63 63.744 -24.376 4.780 1.00 71.34 C ATOM 0 H THR A 63 63.470 -21.662 5.310 1.00 24.30 H new ATOM 0 HA THR A 63 65.080 -22.566 7.442 1.00 13.21 H new ATOM 0 HB THR A 63 62.974 -23.632 6.636 1.00 32.20 H new ATOM 0 HG1 THR A 63 63.800 -25.834 6.867 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.061 -25.224 4.732 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.328 -23.543 4.213 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.706 -24.660 4.355 1.00 71.34 H new ATOM 969 N LYS A 64 66.462 -22.620 4.505 1.00 74.50 N ATOM 970 CA LYS A 64 67.721 -22.857 3.804 1.00 35.22 C ATOM 971 C LYS A 64 68.566 -21.595 3.868 1.00 24.12 C ATOM 972 O LYS A 64 69.739 -21.584 3.510 1.00 50.03 O ATOM 973 CB LYS A 64 67.451 -23.223 2.355 1.00 41.22 C ATOM 974 CG LYS A 64 66.420 -24.318 2.161 1.00 22.42 C ATOM 975 CD LYS A 64 66.840 -25.650 2.775 1.00 13.51 C ATOM 976 CE LYS A 64 65.758 -26.715 2.574 1.00 12.10 C ATOM 977 NZ LYS A 64 66.117 -28.009 3.198 1.00 42.24 N ATOM 0 H LYS A 64 65.760 -22.121 3.959 1.00 74.50 H new ATOM 0 HA LYS A 64 68.252 -23.682 4.278 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.118 -22.331 1.825 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.387 -23.538 1.893 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.475 -24.002 2.604 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.242 -24.456 1.095 1.00 22.42 H new ATOM 0 HD2 LYS A 64 67.773 -25.985 2.322 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.032 -25.519 3.840 1.00 13.51 H new ATOM 0 HE2 LYS A 64 64.819 -26.359 2.997 1.00 12.10 H new ATOM 0 HE3 LYS A 64 65.591 -26.863 1.507 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 65.354 -28.697 3.035 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 66.999 -28.364 2.777 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 66.250 -27.876 4.221 1.00 42.24 H new ATOM 991 N ARG A 65 67.921 -20.539 4.326 1.00 62.41 N ATOM 992 CA ARG A 65 68.522 -19.217 4.527 1.00 10.24 C ATOM 993 C ARG A 65 69.005 -18.587 3.229 1.00 55.32 C ATOM 994 O ARG A 65 70.203 -18.468 2.986 1.00 33.21 O ATOM 995 CB ARG A 65 69.649 -19.159 5.591 1.00 10.13 C ATOM 996 CG ARG A 65 69.278 -19.570 7.020 1.00 12.01 C ATOM 997 CD ARG A 65 69.303 -21.077 7.199 1.00 0.21 C ATOM 998 NE ARG A 65 70.636 -21.633 6.896 1.00 35.32 N ATOM 999 CZ ARG A 65 70.897 -22.926 6.632 1.00 62.31 C ATOM 1000 NH1 ARG A 65 69.913 -23.822 6.599 1.00 53.35 N ATOM 1001 NH2 ARG A 65 72.139 -23.317 6.378 1.00 23.34 N ATOM 0 H ARG A 65 66.933 -20.570 4.579 1.00 62.41 H new ATOM 0 HA ARG A 65 67.694 -18.629 4.924 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.465 -19.799 5.255 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.035 -18.140 5.621 1.00 10.13 H new ATOM 0 HG2 ARG A 65 69.973 -19.109 7.722 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.284 -19.192 7.260 1.00 12.01 H new ATOM 0 HD2 ARG A 65 69.027 -21.328 8.223 1.00 0.21 H new ATOM 0 HD3 ARG A 65 68.559 -21.535 6.547 1.00 0.21 H new ATOM 0 HE ARG A 65 71.423 -20.984 6.886 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.952 -23.530 6.775 1.00 53.35 H new ATOM 0 HH12 ARG A 65 70.121 -24.800 6.398 1.00 53.35 H new ATOM 0 HH21 ARG A 65 72.899 -22.637 6.383 1.00 23.34 H new ATOM 0 HH22 ARG A 65 72.334 -24.298 6.178 1.00 23.34 H new ATOM 1015 N LEU A 66 68.083 -18.248 2.363 1.00 53.51 N ATOM 1016 CA LEU A 66 68.443 -17.563 1.127 1.00 71.15 C ATOM 1017 C LEU A 66 68.408 -16.055 1.325 1.00 32.04 C ATOM 1018 O LEU A 66 68.738 -15.277 0.413 1.00 73.22 O ATOM 1019 CB LEU A 66 67.562 -17.978 -0.088 1.00 33.23 C ATOM 1020 CG LEU A 66 67.745 -19.404 -0.656 1.00 74.22 C ATOM 1021 CD1 LEU A 66 69.207 -19.710 -0.960 1.00 34.12 C ATOM 1022 CD2 LEU A 66 67.133 -20.459 0.240 1.00 42.44 C ATOM 0 H LEU A 66 67.086 -18.428 2.480 1.00 53.51 H new ATOM 0 HA LEU A 66 69.460 -17.873 0.887 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.517 -17.864 0.201 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.749 -17.269 -0.895 1.00 33.23 H new ATOM 0 HG LEU A 66 67.203 -19.435 -1.601 1.00 74.22 H new ATOM 0 HD11 LEU A 66 69.292 -20.722 -1.357 1.00 34.12 H new ATOM 0 HD12 LEU A 66 69.582 -18.999 -1.696 1.00 34.12 H new ATOM 0 HD13 LEU A 66 69.794 -19.629 -0.045 1.00 34.12 H new ATOM 0 HD21 LEU A 66 67.287 -21.444 -0.200 1.00 42.44 H new ATOM 0 HD22 LEU A 66 67.606 -20.422 1.221 1.00 42.44 H new ATOM 0 HD23 LEU A 66 66.064 -20.271 0.346 1.00 42.44 H new ATOM 1034 N TYR A 67 68.031 -15.645 2.520 1.00 50.33 N ATOM 1035 CA TYR A 67 67.927 -14.243 2.841 1.00 63.44 C ATOM 1036 C TYR A 67 69.231 -13.727 3.446 1.00 41.21 C ATOM 1037 O TYR A 67 70.193 -14.505 3.644 1.00 0.14 O ATOM 1038 CB TYR A 67 66.706 -13.946 3.742 1.00 32.51 C ATOM 1039 CG TYR A 67 66.741 -14.606 5.102 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.237 -15.886 5.292 1.00 64.31 C ATOM 1041 CD2 TYR A 67 67.279 -13.945 6.198 1.00 24.21 C ATOM 1042 CE1 TYR A 67 66.278 -16.483 6.540 1.00 44.51 C ATOM 1043 CE2 TYR A 67 67.321 -14.537 7.441 1.00 3.00 C ATOM 1044 CZ TYR A 67 66.821 -15.807 7.602 1.00 62.24 C ATOM 1045 OH TYR A 67 66.856 -16.406 8.836 1.00 52.04 O ATOM 0 H TYR A 67 67.791 -16.272 3.288 1.00 50.33 H new ATOM 0 HA TYR A 67 67.759 -13.699 1.911 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.629 -12.868 3.880 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.803 -14.266 3.222 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.809 -16.421 4.457 1.00 64.31 H new ATOM 0 HD2 TYR A 67 67.672 -12.947 6.073 1.00 24.21 H new ATOM 0 HE1 TYR A 67 65.883 -17.479 6.677 1.00 44.51 H new ATOM 0 HE2 TYR A 67 67.743 -14.008 8.282 1.00 3.00 H new ATOM 0 HH TYR A 67 67.272 -15.799 9.483 1.00 52.04 H new ATOM 1055 N ASP A 68 69.284 -12.446 3.708 1.00 63.44 N ATOM 1056 CA ASP A 68 70.476 -11.817 4.233 1.00 21.32 C ATOM 1057 C ASP A 68 70.560 -11.975 5.734 1.00 52.35 C ATOM 1058 O ASP A 68 69.553 -12.013 6.424 1.00 13.34 O ATOM 1059 CB ASP A 68 70.514 -10.346 3.874 1.00 1.00 C ATOM 1060 CG ASP A 68 71.822 -9.710 4.237 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.821 -9.968 3.564 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.884 -8.973 5.220 1.00 62.33 O ATOM 0 H ASP A 68 68.503 -11.806 3.564 1.00 63.44 H new ATOM 0 HA ASP A 68 71.333 -12.315 3.780 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.340 -10.230 2.804 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.704 -9.827 4.387 1.00 1.00 H new ATOM 1067 N GLU A 69 71.759 -12.045 6.238 1.00 63.22 N ATOM 1068 CA GLU A 69 71.966 -12.262 7.647 1.00 62.14 C ATOM 1069 C GLU A 69 71.835 -10.973 8.477 1.00 64.00 C ATOM 1070 O GLU A 69 71.699 -11.025 9.707 1.00 30.11 O ATOM 1071 CB GLU A 69 73.292 -12.971 7.888 1.00 42.41 C ATOM 1072 CG GLU A 69 74.512 -12.266 7.333 1.00 61.33 C ATOM 1073 CD GLU A 69 75.756 -13.075 7.554 1.00 74.11 C ATOM 1074 OE1 GLU A 69 76.358 -12.974 8.635 1.00 24.54 O ATOM 1075 OE2 GLU A 69 76.142 -13.860 6.654 1.00 52.31 O ATOM 0 H GLU A 69 72.616 -11.955 5.692 1.00 63.22 H new ATOM 0 HA GLU A 69 71.166 -12.914 7.997 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.425 -13.102 8.962 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.238 -13.967 7.450 1.00 42.41 H new ATOM 0 HG2 GLU A 69 74.377 -12.086 6.266 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.620 -11.292 7.809 1.00 61.33 H new ATOM 1082 N LYS A 70 71.877 -9.831 7.825 1.00 21.31 N ATOM 1083 CA LYS A 70 71.738 -8.563 8.520 1.00 43.13 C ATOM 1084 C LYS A 70 70.402 -7.957 8.169 1.00 3.23 C ATOM 1085 O LYS A 70 69.809 -7.205 8.951 1.00 14.52 O ATOM 1086 CB LYS A 70 72.787 -7.613 8.012 1.00 51.11 C ATOM 1087 CG LYS A 70 74.166 -8.195 7.919 1.00 5.05 C ATOM 1088 CD LYS A 70 74.785 -8.464 9.276 1.00 31.00 C ATOM 1089 CE LYS A 70 76.209 -8.965 9.131 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.847 -9.231 10.436 1.00 33.03 N ATOM 0 H LYS A 70 72.006 -9.751 6.816 1.00 21.31 H new ATOM 0 HA LYS A 70 71.833 -8.727 9.593 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.490 -7.258 7.025 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.818 -6.743 8.668 1.00 51.11 H new ATOM 0 HG2 LYS A 70 74.125 -9.126 7.353 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.807 -7.511 7.362 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.775 -7.551 9.872 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.188 -9.202 9.813 1.00 31.00 H new ATOM 0 HE2 LYS A 70 76.211 -9.878 8.536 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.797 -8.227 8.586 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.818 -9.571 10.285 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.870 -8.355 10.996 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.303 -9.955 10.948 1.00 33.03 H new ATOM 1104 N GLN A 71 69.956 -8.255 6.980 1.00 50.03 N ATOM 1105 CA GLN A 71 68.704 -7.753 6.480 1.00 5.34 C ATOM 1106 C GLN A 71 67.721 -8.880 6.207 1.00 62.15 C ATOM 1107 O GLN A 71 67.852 -9.591 5.227 1.00 64.52 O ATOM 1108 CB GLN A 71 68.955 -6.959 5.201 1.00 3.32 C ATOM 1109 CG GLN A 71 69.820 -5.728 5.392 1.00 21.51 C ATOM 1110 CD GLN A 71 69.109 -4.628 6.142 1.00 43.20 C ATOM 1111 OE1 GLN A 71 68.477 -3.764 5.536 1.00 23.33 O ATOM 1112 NE2 GLN A 71 69.179 -4.651 7.444 1.00 3.50 N ATOM 0 H GLN A 71 70.454 -8.858 6.325 1.00 50.03 H new ATOM 0 HA GLN A 71 68.264 -7.107 7.240 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.429 -7.612 4.469 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.996 -6.654 4.782 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.725 -6.005 5.933 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.133 -5.354 4.417 1.00 21.51 H new ATOM 0 HE21 GLN A 71 69.712 -5.383 7.913 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.700 -3.937 7.993 1.00 3.50 H new ATOM 1121 N GLN A 72 66.734 -9.029 7.071 1.00 33.03 N ATOM 1122 CA GLN A 72 65.699 -10.046 6.886 1.00 64.41 C ATOM 1123 C GLN A 72 64.856 -9.755 5.649 1.00 73.12 C ATOM 1124 O GLN A 72 64.354 -10.658 4.999 1.00 1.14 O ATOM 1125 CB GLN A 72 64.779 -10.132 8.108 1.00 2.34 C ATOM 1126 CG GLN A 72 65.420 -10.731 9.347 1.00 64.34 C ATOM 1127 CD GLN A 72 64.420 -10.901 10.474 1.00 20.23 C ATOM 1128 OE1 GLN A 72 63.752 -11.937 10.578 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.312 -9.918 11.321 1.00 52.04 N ATOM 0 H GLN A 72 66.622 -8.461 7.911 1.00 33.03 H new ATOM 0 HA GLN A 72 66.211 -10.999 6.756 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.423 -9.130 8.348 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.904 -10.727 7.845 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.855 -11.699 9.099 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.236 -10.090 9.680 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.879 -9.079 11.203 1.00 52.04 H new ATOM 0 HE22 GLN A 72 63.660 -9.987 12.102 1.00 52.04 H new ATOM 1138 N HIS A 73 64.685 -8.472 5.346 1.00 20.12 N ATOM 1139 CA HIS A 73 63.851 -8.047 4.222 1.00 23.35 C ATOM 1140 C HIS A 73 64.533 -8.317 2.890 1.00 72.14 C ATOM 1141 O HIS A 73 63.879 -8.389 1.836 1.00 10.11 O ATOM 1142 CB HIS A 73 63.530 -6.543 4.281 1.00 41.31 C ATOM 1143 CG HIS A 73 63.082 -5.997 5.609 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.154 -4.664 5.922 1.00 32.14 N ATOM 1145 CD2 HIS A 73 62.565 -6.605 6.702 1.00 65.33 C ATOM 1146 CE1 HIS A 73 62.711 -4.460 7.131 1.00 3.33 C ATOM 1147 NE2 HIS A 73 62.338 -5.629 7.641 1.00 73.14 N ATOM 0 H HIS A 73 65.114 -7.705 5.864 1.00 20.12 H new ATOM 0 HA HIS A 73 62.931 -8.626 4.301 1.00 23.35 H new ATOM 0 HB2 HIS A 73 64.419 -5.994 3.970 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.752 -6.333 3.547 1.00 41.31 H new ATOM 0 HD2 HIS A 73 62.368 -7.661 6.815 1.00 65.33 H new ATOM 0 HE1 HIS A 73 62.657 -3.505 7.632 1.00 3.33 H new ATOM 0 HE2 HIS A 73 61.949 -5.776 8.572 1.00 73.14 H new ATOM 1155 N ILE A 74 65.820 -8.452 2.944 1.00 50.14 N ATOM 1156 CA ILE A 74 66.611 -8.636 1.765 1.00 22.31 C ATOM 1157 C ILE A 74 66.857 -10.099 1.535 1.00 55.40 C ATOM 1158 O ILE A 74 67.517 -10.772 2.331 1.00 73.00 O ATOM 1159 CB ILE A 74 67.957 -7.864 1.847 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.714 -6.345 1.916 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.880 -8.211 0.682 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.964 -5.785 0.723 1.00 73.44 C ATOM 0 H ILE A 74 66.357 -8.438 3.811 1.00 50.14 H new ATOM 0 HA ILE A 74 66.054 -8.229 0.921 1.00 22.31 H new ATOM 0 HB ILE A 74 68.456 -8.176 2.765 1.00 31.00 H new ATOM 0 HG12 ILE A 74 67.154 -6.118 2.823 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.675 -5.837 1.999 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.810 -7.651 0.776 1.00 3.51 H new ATOM 0 HG22 ILE A 74 69.097 -9.279 0.695 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.393 -7.951 -0.258 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.833 -4.710 0.847 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.532 -5.978 -0.187 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.987 -6.263 0.650 1.00 73.44 H new ATOM 1174 N VAL A 75 66.312 -10.602 0.481 1.00 45.43 N ATOM 1175 CA VAL A 75 66.525 -11.957 0.149 1.00 24.42 C ATOM 1176 C VAL A 75 67.335 -12.009 -1.099 1.00 52.54 C ATOM 1177 O VAL A 75 66.936 -11.476 -2.101 1.00 42.31 O ATOM 1178 CB VAL A 75 65.219 -12.743 -0.065 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.527 -14.207 -0.313 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.284 -12.586 1.117 1.00 11.12 C ATOM 0 H VAL A 75 65.713 -10.087 -0.165 1.00 45.43 H new ATOM 0 HA VAL A 75 67.040 -12.426 0.988 1.00 24.42 H new ATOM 0 HB VAL A 75 64.715 -12.336 -0.941 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.596 -14.754 -0.463 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.151 -14.302 -1.201 1.00 1.24 H new ATOM 0 HG13 VAL A 75 66.055 -14.618 0.547 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.371 -13.153 0.936 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.770 -12.960 2.018 1.00 11.12 H new ATOM 0 HG23 VAL A 75 64.037 -11.532 1.248 1.00 11.12 H new ATOM 1190 N TYR A 76 68.469 -12.617 -1.041 1.00 5.33 N ATOM 1191 CA TYR A 76 69.283 -12.721 -2.209 1.00 2.23 C ATOM 1192 C TYR A 76 68.802 -13.850 -3.075 1.00 20.23 C ATOM 1193 O TYR A 76 68.282 -13.628 -4.165 1.00 22.13 O ATOM 1194 CB TYR A 76 70.750 -12.856 -1.842 1.00 71.42 C ATOM 1195 CG TYR A 76 71.309 -11.584 -1.270 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.757 -10.587 -2.111 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.376 -11.368 0.095 1.00 34.51 C ATOM 1198 CE1 TYR A 76 72.259 -9.407 -1.616 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.878 -10.191 0.595 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.317 -9.217 -0.261 1.00 44.23 C ATOM 1201 OH TYR A 76 72.818 -8.047 0.250 1.00 11.02 O ATOM 0 H TYR A 76 68.856 -13.049 -0.202 1.00 5.33 H new ATOM 0 HA TYR A 76 69.192 -11.802 -2.788 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.869 -13.662 -1.118 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.320 -13.136 -2.728 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.713 -10.736 -3.180 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.030 -12.133 0.775 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.605 -8.637 -2.290 1.00 3.12 H new ATOM 0 HE2 TYR A 76 71.926 -10.034 1.662 1.00 53.13 H new ATOM 0 HH TYR A 76 72.786 -8.077 1.229 1.00 11.02 H new ATOM 1211 N CYS A 77 68.956 -15.061 -2.562 1.00 54.53 N ATOM 1212 CA CYS A 77 68.493 -16.279 -3.211 1.00 52.14 C ATOM 1213 C CYS A 77 69.108 -16.436 -4.619 1.00 4.33 C ATOM 1214 O CYS A 77 68.565 -17.104 -5.500 1.00 62.20 O ATOM 1215 CB CYS A 77 66.960 -16.284 -3.252 1.00 61.41 C ATOM 1216 SG CYS A 77 66.248 -17.870 -3.664 1.00 54.33 S ATOM 0 H CYS A 77 69.415 -15.228 -1.666 1.00 54.53 H new ATOM 0 HA CYS A 77 68.826 -17.140 -2.632 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.580 -15.968 -2.280 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.624 -15.546 -3.981 1.00 61.41 H new ATOM 0 HG CYS A 77 65.682 -18.378 -2.610 1.00 54.33 H new ATOM 1222 N SER A 78 70.285 -15.883 -4.783 1.00 74.53 N ATOM 1223 CA SER A 78 70.987 -15.948 -6.026 1.00 1.24 C ATOM 1224 C SER A 78 71.621 -17.330 -6.164 1.00 20.30 C ATOM 1225 O SER A 78 71.870 -17.810 -7.269 1.00 21.43 O ATOM 1226 CB SER A 78 72.041 -14.833 -6.084 1.00 41.00 C ATOM 1227 OG SER A 78 72.734 -14.818 -7.324 1.00 62.31 O ATOM 0 H SER A 78 70.779 -15.374 -4.050 1.00 74.53 H new ATOM 0 HA SER A 78 70.301 -15.798 -6.860 1.00 1.24 H new ATOM 0 HB2 SER A 78 71.557 -13.869 -5.928 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.755 -14.967 -5.271 1.00 41.00 H new ATOM 0 HG SER A 78 73.394 -14.094 -7.321 1.00 62.31 H new ATOM 1233 N ASN A 79 71.831 -17.979 -5.026 1.00 41.54 N ATOM 1234 CA ASN A 79 72.404 -19.319 -4.993 1.00 73.42 C ATOM 1235 C ASN A 79 71.310 -20.373 -5.060 1.00 0.00 C ATOM 1236 O ASN A 79 71.536 -21.553 -4.788 1.00 53.23 O ATOM 1237 CB ASN A 79 73.278 -19.528 -3.744 1.00 72.51 C ATOM 1238 CG ASN A 79 74.501 -18.627 -3.719 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.470 -17.523 -3.171 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.568 -19.065 -4.327 1.00 12.14 N ATOM 0 H ASN A 79 71.611 -17.596 -4.107 1.00 41.54 H new ATOM 0 HA ASN A 79 73.044 -19.425 -5.869 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.679 -19.343 -2.853 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.599 -20.569 -3.702 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.409 -18.489 -4.359 1.00 12.14 H new ATOM 0 HD22 ASN A 79 75.561 -19.983 -4.771 1.00 12.14 H new ATOM 1247 N ASP A 80 70.136 -19.950 -5.430 1.00 63.10 N ATOM 1248 CA ASP A 80 69.012 -20.831 -5.611 1.00 44.31 C ATOM 1249 C ASP A 80 68.368 -20.438 -6.938 1.00 54.24 C ATOM 1250 O ASP A 80 68.889 -19.552 -7.633 1.00 62.42 O ATOM 1251 CB ASP A 80 68.019 -20.722 -4.423 1.00 54.35 C ATOM 1252 CG ASP A 80 66.913 -21.775 -4.448 1.00 4.01 C ATOM 1253 OD1 ASP A 80 65.888 -21.554 -5.115 1.00 51.55 O ATOM 1254 OD2 ASP A 80 67.080 -22.856 -3.831 1.00 31.11 O ATOM 0 H ASP A 80 69.927 -18.970 -5.618 1.00 63.10 H new ATOM 0 HA ASP A 80 69.324 -21.875 -5.635 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.573 -20.812 -3.489 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.565 -19.731 -4.430 1.00 54.35 H new ATOM 1259 N LEU A 81 67.300 -21.069 -7.301 1.00 71.31 N ATOM 1260 CA LEU A 81 66.659 -20.822 -8.551 1.00 11.32 C ATOM 1261 C LEU A 81 65.566 -19.756 -8.361 1.00 12.11 C ATOM 1262 O LEU A 81 65.304 -18.996 -9.255 1.00 75.03 O ATOM 1263 CB LEU A 81 66.107 -22.165 -9.102 1.00 25.11 C ATOM 1264 CG LEU A 81 65.739 -22.267 -10.606 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.513 -21.465 -10.953 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.909 -21.835 -11.472 1.00 21.25 C ATOM 0 H LEU A 81 66.842 -21.780 -6.731 1.00 71.31 H new ATOM 0 HA LEU A 81 67.361 -20.429 -9.286 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.848 -22.936 -8.892 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.215 -22.415 -8.527 1.00 25.11 H new ATOM 0 HG LEU A 81 65.510 -23.314 -10.806 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.298 -21.570 -12.016 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.664 -21.829 -10.374 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.687 -20.415 -10.720 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.632 -21.913 -12.523 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.170 -20.802 -11.242 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.766 -22.479 -11.274 1.00 21.25 H new ATOM 1278 N LEU A 82 64.993 -19.695 -7.159 1.00 22.23 N ATOM 1279 CA LEU A 82 63.872 -18.775 -6.797 1.00 31.14 C ATOM 1280 C LEU A 82 64.163 -17.304 -7.248 1.00 51.53 C ATOM 1281 O LEU A 82 63.467 -16.749 -8.125 1.00 75.13 O ATOM 1282 CB LEU A 82 63.703 -18.855 -5.259 1.00 51.31 C ATOM 1283 CG LEU A 82 62.477 -18.241 -4.526 1.00 44.45 C ATOM 1284 CD1 LEU A 82 62.688 -18.403 -3.033 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.242 -16.767 -4.832 1.00 64.25 C ATOM 0 H LEU A 82 65.288 -20.288 -6.383 1.00 22.23 H new ATOM 0 HA LEU A 82 62.958 -19.076 -7.308 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.728 -19.912 -4.996 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.591 -18.397 -4.822 1.00 51.31 H new ATOM 0 HG LEU A 82 61.594 -18.772 -4.882 1.00 44.45 H new ATOM 0 HD11 LEU A 82 61.839 -17.979 -2.497 1.00 51.52 H new ATOM 0 HD12 LEU A 82 62.777 -19.462 -2.791 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.600 -17.885 -2.736 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.369 -16.416 -4.282 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.116 -16.189 -4.532 1.00 64.25 H new ATOM 0 HD23 LEU A 82 62.072 -16.640 -5.901 1.00 64.25 H new ATOM 1297 N GLY A 83 65.191 -16.698 -6.659 1.00 33.33 N ATOM 1298 CA GLY A 83 65.518 -15.307 -6.964 1.00 13.41 C ATOM 1299 C GLY A 83 65.981 -15.164 -8.383 1.00 23.02 C ATOM 1300 O GLY A 83 65.598 -14.211 -9.107 1.00 63.21 O ATOM 0 H GLY A 83 65.805 -17.141 -5.976 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.643 -14.679 -6.798 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.296 -14.955 -6.286 1.00 13.41 H new ATOM 1304 N ASP A 84 66.754 -16.150 -8.799 1.00 74.23 N ATOM 1305 CA ASP A 84 67.305 -16.240 -10.145 1.00 72.30 C ATOM 1306 C ASP A 84 66.184 -16.054 -11.145 1.00 60.45 C ATOM 1307 O ASP A 84 66.223 -15.104 -11.917 1.00 21.25 O ATOM 1308 CB ASP A 84 67.953 -17.622 -10.325 1.00 32.43 C ATOM 1309 CG ASP A 84 68.762 -17.788 -11.591 1.00 23.04 C ATOM 1310 OD1 ASP A 84 68.187 -17.991 -12.683 1.00 12.11 O ATOM 1311 OD2 ASP A 84 70.008 -17.771 -11.493 1.00 34.12 O ATOM 0 H ASP A 84 67.024 -16.930 -8.199 1.00 74.23 H new ATOM 0 HA ASP A 84 68.058 -15.468 -10.303 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.600 -17.817 -9.470 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.169 -18.379 -10.311 1.00 32.43 H new ATOM 1316 N LEU A 85 65.136 -16.878 -10.956 1.00 51.32 N ATOM 1317 CA LEU A 85 63.919 -17.025 -11.747 1.00 55.15 C ATOM 1318 C LEU A 85 63.190 -15.733 -11.964 1.00 45.10 C ATOM 1319 O LEU A 85 62.681 -15.478 -13.057 1.00 62.02 O ATOM 1320 CB LEU A 85 63.044 -17.948 -10.954 1.00 35.13 C ATOM 1321 CG LEU A 85 61.801 -18.479 -11.579 1.00 61.13 C ATOM 1322 CD1 LEU A 85 62.099 -19.169 -12.901 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.136 -19.431 -10.606 1.00 34.22 C ATOM 0 H LEU A 85 65.129 -17.519 -10.162 1.00 51.32 H new ATOM 0 HA LEU A 85 64.172 -17.397 -12.740 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.652 -18.802 -10.654 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.756 -17.426 -10.042 1.00 35.13 H new ATOM 0 HG LEU A 85 61.126 -17.652 -11.799 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.171 -19.546 -13.332 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.556 -18.457 -13.588 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.784 -20.000 -12.732 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.224 -19.828 -11.051 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.816 -20.252 -10.379 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.890 -18.899 -9.687 1.00 34.22 H new ATOM 1335 N PHE A 86 63.099 -14.920 -10.927 1.00 13.22 N ATOM 1336 CA PHE A 86 62.438 -13.624 -11.058 1.00 14.21 C ATOM 1337 C PHE A 86 63.265 -12.755 -11.971 1.00 25.43 C ATOM 1338 O PHE A 86 62.775 -11.829 -12.638 1.00 74.23 O ATOM 1339 CB PHE A 86 62.315 -12.961 -9.717 1.00 60.11 C ATOM 1340 CG PHE A 86 61.364 -11.784 -9.716 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.095 -11.899 -10.269 1.00 61.20 C ATOM 1342 CD2 PHE A 86 61.746 -10.563 -9.190 1.00 60.04 C ATOM 1343 CE1 PHE A 86 59.231 -10.825 -10.292 1.00 21.42 C ATOM 1344 CE2 PHE A 86 60.885 -9.483 -9.213 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.625 -9.617 -9.764 1.00 2.54 C ATOM 0 H PHE A 86 63.466 -15.124 -9.998 1.00 13.22 H new ATOM 0 HA PHE A 86 61.438 -13.766 -11.469 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.975 -13.695 -8.987 1.00 60.11 H new ATOM 0 HB3 PHE A 86 63.300 -12.624 -9.395 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.781 -12.844 -10.687 1.00 61.20 H new ATOM 0 HD2 PHE A 86 62.729 -10.453 -8.756 1.00 60.04 H new ATOM 0 HE1 PHE A 86 58.247 -10.932 -10.724 1.00 21.42 H new ATOM 0 HE2 PHE A 86 61.196 -8.535 -8.801 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.950 -8.774 -9.780 1.00 2.54 H new ATOM 1355 N GLY A 87 64.499 -13.093 -12.007 1.00 24.41 N ATOM 1356 CA GLY A 87 65.447 -12.416 -12.836 1.00 31.24 C ATOM 1357 C GLY A 87 66.205 -11.461 -12.028 1.00 3.13 C ATOM 1358 O GLY A 87 66.524 -10.354 -12.479 1.00 20.13 O ATOM 0 H GLY A 87 64.894 -13.857 -11.458 1.00 24.41 H new ATOM 0 HA2 GLY A 87 66.123 -13.136 -13.297 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.934 -11.897 -13.646 1.00 31.24 H new ATOM 1362 N VAL A 88 66.503 -11.861 -10.819 1.00 0.24 N ATOM 1363 CA VAL A 88 67.165 -10.946 -9.894 1.00 65.43 C ATOM 1364 C VAL A 88 68.311 -11.585 -9.123 1.00 62.04 C ATOM 1365 O VAL A 88 68.361 -12.808 -8.967 1.00 2.43 O ATOM 1366 CB VAL A 88 66.178 -10.279 -8.883 1.00 34.42 C ATOM 1367 CG1 VAL A 88 65.185 -9.366 -9.574 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.462 -11.307 -8.027 1.00 52.45 C ATOM 0 H VAL A 88 66.308 -12.791 -10.447 1.00 0.24 H new ATOM 0 HA VAL A 88 67.579 -10.174 -10.542 1.00 65.43 H new ATOM 0 HB VAL A 88 66.786 -9.662 -8.221 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.519 -8.925 -8.832 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.721 -8.574 -10.097 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.599 -9.942 -10.291 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.786 -10.800 -7.339 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.891 -11.979 -8.667 1.00 52.45 H new ATOM 0 HG23 VAL A 88 66.194 -11.881 -7.459 1.00 52.45 H new ATOM 1378 N PRO A 89 69.286 -10.764 -8.666 1.00 11.32 N ATOM 1379 CA PRO A 89 70.367 -11.235 -7.816 1.00 74.43 C ATOM 1380 C PRO A 89 69.963 -11.169 -6.338 1.00 61.01 C ATOM 1381 O PRO A 89 70.646 -11.726 -5.458 1.00 1.24 O ATOM 1382 CB PRO A 89 71.520 -10.260 -8.108 1.00 25.13 C ATOM 1383 CG PRO A 89 70.918 -9.073 -8.818 1.00 40.51 C ATOM 1384 CD PRO A 89 69.439 -9.325 -8.984 1.00 22.11 C ATOM 0 HA PRO A 89 70.634 -12.273 -8.012 1.00 74.43 H new ATOM 0 HB2 PRO A 89 72.008 -9.951 -7.184 1.00 25.13 H new ATOM 0 HB3 PRO A 89 72.281 -10.735 -8.727 1.00 25.13 H new ATOM 0 HG2 PRO A 89 71.087 -8.161 -8.245 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.391 -8.931 -9.790 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.849 -8.702 -8.311 1.00 22.11 H new ATOM 0 HD3 PRO A 89 69.107 -9.102 -9.998 1.00 22.11 H new ATOM 1392 N SER A 90 68.873 -10.453 -6.095 1.00 72.45 N ATOM 1393 CA SER A 90 68.277 -10.286 -4.803 1.00 0.12 C ATOM 1394 C SER A 90 66.892 -9.685 -4.966 1.00 72.25 C ATOM 1395 O SER A 90 66.635 -8.965 -5.944 1.00 42.34 O ATOM 1396 CB SER A 90 69.147 -9.378 -3.930 1.00 14.22 C ATOM 1397 OG SER A 90 69.438 -8.148 -4.591 1.00 32.43 O ATOM 0 H SER A 90 68.370 -9.958 -6.831 1.00 72.45 H new ATOM 0 HA SER A 90 68.197 -11.257 -4.314 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.635 -9.176 -2.989 1.00 14.22 H new ATOM 0 HB3 SER A 90 70.077 -9.890 -3.683 1.00 14.22 H new ATOM 0 HG SER A 90 69.993 -7.588 -4.010 1.00 32.43 H new ATOM 1403 N PHE A 91 66.021 -9.968 -4.044 1.00 22.52 N ATOM 1404 CA PHE A 91 64.690 -9.429 -4.066 1.00 23.10 C ATOM 1405 C PHE A 91 64.331 -8.872 -2.697 1.00 42.12 C ATOM 1406 O PHE A 91 64.845 -9.331 -1.668 1.00 74.32 O ATOM 1407 CB PHE A 91 63.626 -10.449 -4.583 1.00 64.21 C ATOM 1408 CG PHE A 91 63.216 -11.601 -3.666 1.00 51.33 C ATOM 1409 CD1 PHE A 91 62.148 -11.446 -2.792 1.00 4.31 C ATOM 1410 CD2 PHE A 91 63.838 -12.849 -3.723 1.00 11.25 C ATOM 1411 CE1 PHE A 91 61.717 -12.485 -2.006 1.00 61.22 C ATOM 1412 CE2 PHE A 91 63.408 -13.884 -2.927 1.00 2.33 C ATOM 1413 CZ PHE A 91 62.344 -13.703 -2.070 1.00 72.40 C ATOM 0 H PHE A 91 66.212 -10.581 -3.252 1.00 22.52 H new ATOM 0 HA PHE A 91 64.678 -8.612 -4.787 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.725 -9.889 -4.836 1.00 64.21 H new ATOM 0 HB3 PHE A 91 64.003 -10.881 -5.510 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.648 -10.491 -2.730 1.00 4.31 H new ATOM 0 HD2 PHE A 91 64.666 -13.003 -4.399 1.00 11.25 H new ATOM 0 HE1 PHE A 91 60.882 -12.343 -1.336 1.00 61.22 H new ATOM 0 HE2 PHE A 91 63.905 -14.842 -2.973 1.00 2.33 H new ATOM 0 HZ PHE A 91 62.004 -14.519 -1.450 1.00 72.40 H new ATOM 1423 N SER A 92 63.493 -7.883 -2.685 1.00 13.21 N ATOM 1424 CA SER A 92 63.097 -7.230 -1.470 1.00 63.42 C ATOM 1425 C SER A 92 61.658 -7.620 -1.103 1.00 12.35 C ATOM 1426 O SER A 92 60.726 -7.382 -1.877 1.00 65.40 O ATOM 1427 CB SER A 92 63.234 -5.730 -1.683 1.00 64.34 C ATOM 1428 OG SER A 92 64.557 -5.431 -2.123 1.00 72.34 O ATOM 0 H SER A 92 63.059 -7.500 -3.525 1.00 13.21 H new ATOM 0 HA SER A 92 63.732 -7.538 -0.639 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.508 -5.389 -2.421 1.00 64.34 H new ATOM 0 HB3 SER A 92 63.019 -5.199 -0.756 1.00 64.34 H new ATOM 0 HG SER A 92 64.645 -4.465 -2.262 1.00 72.34 H new ATOM 1434 N VAL A 93 61.491 -8.226 0.072 1.00 15.21 N ATOM 1435 CA VAL A 93 60.180 -8.710 0.535 1.00 44.32 C ATOM 1436 C VAL A 93 59.149 -7.596 0.712 1.00 70.53 C ATOM 1437 O VAL A 93 57.951 -7.849 0.664 1.00 62.34 O ATOM 1438 CB VAL A 93 60.283 -9.488 1.858 1.00 54.24 C ATOM 1439 CG1 VAL A 93 61.165 -10.701 1.705 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.785 -8.597 2.970 1.00 71.25 C ATOM 0 H VAL A 93 62.252 -8.397 0.730 1.00 15.21 H new ATOM 0 HA VAL A 93 59.840 -9.374 -0.260 1.00 44.32 H new ATOM 0 HB VAL A 93 59.283 -9.830 2.123 1.00 54.24 H new ATOM 0 HG11 VAL A 93 61.220 -11.233 2.655 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.748 -11.360 0.944 1.00 62.31 H new ATOM 0 HG13 VAL A 93 62.165 -10.388 1.405 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.849 -9.170 3.895 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.772 -8.214 2.712 1.00 71.25 H new ATOM 0 HG23 VAL A 93 60.096 -7.763 3.107 1.00 71.25 H new ATOM 1450 N LYS A 94 59.611 -6.367 0.925 1.00 25.30 N ATOM 1451 CA LYS A 94 58.709 -5.245 1.129 1.00 34.12 C ATOM 1452 C LYS A 94 58.005 -4.849 -0.152 1.00 43.13 C ATOM 1453 O LYS A 94 57.021 -4.093 -0.132 1.00 62.22 O ATOM 1454 CB LYS A 94 59.435 -4.072 1.761 1.00 44.32 C ATOM 1455 CG LYS A 94 59.999 -4.400 3.131 1.00 11.41 C ATOM 1456 CD LYS A 94 58.905 -4.678 4.142 1.00 61.24 C ATOM 1457 CE LYS A 94 59.491 -5.218 5.420 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.491 -5.319 6.496 1.00 40.32 N ATOM 0 H LYS A 94 60.602 -6.126 0.960 1.00 25.30 H new ATOM 0 HA LYS A 94 57.934 -5.566 1.825 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.246 -3.756 1.105 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.749 -3.230 1.848 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.653 -5.269 3.056 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.612 -3.569 3.479 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.351 -3.762 4.348 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.195 -5.395 3.730 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.920 -6.202 5.233 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.306 -4.571 5.745 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.942 -5.695 7.354 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.099 -4.377 6.695 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.725 -5.957 6.199 1.00 40.32 H new ATOM 1472 N GLU A 95 58.462 -5.385 -1.253 1.00 41.22 N ATOM 1473 CA GLU A 95 57.816 -5.174 -2.494 1.00 25.25 C ATOM 1474 C GLU A 95 56.835 -6.274 -2.698 1.00 44.21 C ATOM 1475 O GLU A 95 57.098 -7.256 -3.377 1.00 11.24 O ATOM 1476 CB GLU A 95 58.769 -5.164 -3.625 1.00 62.12 C ATOM 1477 CG GLU A 95 59.720 -3.998 -3.637 1.00 1.24 C ATOM 1478 CD GLU A 95 58.979 -2.722 -3.868 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.657 -2.433 -5.024 1.00 30.24 O ATOM 1480 OE2 GLU A 95 58.671 -2.012 -2.911 1.00 35.23 O ATOM 0 H GLU A 95 59.291 -5.977 -1.301 1.00 41.22 H new ATOM 0 HA GLU A 95 57.328 -4.200 -2.467 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.348 -6.087 -3.602 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.205 -5.165 -4.558 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.256 -3.948 -2.689 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.467 -4.138 -4.418 1.00 1.24 H new ATOM 1487 N HIS A 96 55.732 -6.103 -2.093 1.00 61.03 N ATOM 1488 CA HIS A 96 54.649 -7.082 -2.096 1.00 22.11 C ATOM 1489 C HIS A 96 54.141 -7.268 -3.502 1.00 24.20 C ATOM 1490 O HIS A 96 53.833 -8.377 -3.917 1.00 4.12 O ATOM 1491 CB HIS A 96 53.500 -6.685 -1.148 1.00 0.11 C ATOM 1492 CG HIS A 96 53.868 -6.647 0.317 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.046 -6.120 1.286 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.957 -7.113 0.978 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.594 -6.260 2.461 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.760 -6.861 2.315 1.00 71.43 N ATOM 0 H HIS A 96 55.519 -5.263 -1.556 1.00 61.03 H new ATOM 0 HA HIS A 96 55.049 -8.026 -1.725 1.00 22.11 H new ATOM 0 HB2 HIS A 96 53.130 -5.702 -1.440 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.678 -7.388 -1.283 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.818 -7.592 0.536 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.165 -5.938 3.398 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.406 -7.099 3.068 1.00 71.43 H new ATOM 1504 N ARG A 97 54.108 -6.167 -4.235 1.00 61.45 N ATOM 1505 CA ARG A 97 53.744 -6.148 -5.648 1.00 2.00 C ATOM 1506 C ARG A 97 54.656 -7.077 -6.469 1.00 60.51 C ATOM 1507 O ARG A 97 54.198 -7.798 -7.357 1.00 63.44 O ATOM 1508 CB ARG A 97 53.789 -4.705 -6.177 1.00 25.22 C ATOM 1509 CG ARG A 97 55.091 -3.962 -5.904 1.00 31.52 C ATOM 1510 CD ARG A 97 55.027 -2.516 -6.364 1.00 61.22 C ATOM 1511 NE ARG A 97 56.244 -1.791 -5.993 1.00 52.14 N ATOM 1512 CZ ARG A 97 56.490 -0.493 -6.192 1.00 35.43 C ATOM 1513 NH1 ARG A 97 55.641 0.275 -6.863 1.00 32.04 N ATOM 1514 NH2 ARG A 97 57.612 0.014 -5.719 1.00 50.15 N ATOM 0 H ARG A 97 54.336 -5.246 -3.862 1.00 61.45 H new ATOM 0 HA ARG A 97 52.726 -6.524 -5.754 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.616 -4.722 -7.253 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.967 -4.144 -5.731 1.00 25.22 H new ATOM 0 HG2 ARG A 97 55.310 -3.994 -4.837 1.00 31.52 H new ATOM 0 HG3 ARG A 97 55.911 -4.469 -6.413 1.00 31.52 H new ATOM 0 HD2 ARG A 97 54.894 -2.481 -7.445 1.00 61.22 H new ATOM 0 HD3 ARG A 97 54.159 -2.028 -5.920 1.00 61.22 H new ATOM 0 HE ARG A 97 56.978 -2.332 -5.536 1.00 52.14 H new ATOM 0 HH11 ARG A 97 54.780 -0.123 -7.239 1.00 32.04 H new ATOM 0 HH12 ARG A 97 55.849 1.264 -7.003 1.00 32.04 H new ATOM 0 HH21 ARG A 97 58.268 -0.582 -5.215 1.00 50.15 H new ATOM 0 HH22 ARG A 97 57.823 1.002 -5.858 1.00 50.15 H new ATOM 1528 N LYS A 98 55.929 -7.085 -6.127 1.00 3.30 N ATOM 1529 CA LYS A 98 56.910 -7.951 -6.772 1.00 1.24 C ATOM 1530 C LYS A 98 56.739 -9.376 -6.343 1.00 33.20 C ATOM 1531 O LYS A 98 56.949 -10.277 -7.128 1.00 63.32 O ATOM 1532 CB LYS A 98 58.348 -7.477 -6.521 1.00 62.12 C ATOM 1533 CG LYS A 98 58.921 -6.600 -7.625 1.00 4.31 C ATOM 1534 CD LYS A 98 58.050 -5.406 -7.940 1.00 4.22 C ATOM 1535 CE LYS A 98 58.584 -4.669 -9.150 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.771 -3.489 -9.503 1.00 63.10 N ATOM 0 H LYS A 98 56.318 -6.492 -5.394 1.00 3.30 H new ATOM 0 HA LYS A 98 56.729 -7.892 -7.845 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.377 -6.924 -5.582 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.989 -8.350 -6.397 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.911 -6.253 -7.329 1.00 4.31 H new ATOM 0 HG3 LYS A 98 59.049 -7.198 -8.527 1.00 4.31 H new ATOM 0 HD2 LYS A 98 57.027 -5.733 -8.127 1.00 4.22 H new ATOM 0 HD3 LYS A 98 58.018 -4.735 -7.082 1.00 4.22 H new ATOM 0 HE2 LYS A 98 59.609 -4.354 -8.955 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.616 -5.350 -10.000 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 58.181 -3.022 -10.337 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 56.798 -3.789 -9.717 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 57.760 -2.823 -8.704 1.00 63.10 H new ATOM 1550 N ILE A 99 56.332 -9.571 -5.104 1.00 54.20 N ATOM 1551 CA ILE A 99 56.106 -10.910 -4.585 1.00 3.41 C ATOM 1552 C ILE A 99 54.973 -11.560 -5.356 1.00 32.52 C ATOM 1553 O ILE A 99 55.107 -12.671 -5.848 1.00 34.24 O ATOM 1554 CB ILE A 99 55.752 -10.913 -3.064 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.770 -10.085 -2.257 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.694 -12.340 -2.532 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.219 -10.479 -2.455 1.00 13.25 C ATOM 0 H ILE A 99 56.151 -8.821 -4.437 1.00 54.20 H new ATOM 0 HA ILE A 99 57.035 -11.467 -4.708 1.00 3.41 H new ATOM 0 HB ILE A 99 54.770 -10.454 -2.947 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.655 -9.035 -2.525 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.527 -10.172 -1.198 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.446 -12.323 -1.471 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.931 -12.900 -3.074 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.663 -12.820 -2.671 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.857 -9.839 -1.845 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.357 -11.518 -2.157 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.487 -10.364 -3.505 1.00 13.25 H new ATOM 1569 N TYR A 100 53.877 -10.825 -5.497 1.00 43.11 N ATOM 1570 CA TYR A 100 52.695 -11.321 -6.204 1.00 15.13 C ATOM 1571 C TYR A 100 53.038 -11.717 -7.618 1.00 34.44 C ATOM 1572 O TYR A 100 52.742 -12.826 -8.046 1.00 3.54 O ATOM 1573 CB TYR A 100 51.578 -10.278 -6.260 1.00 21.14 C ATOM 1574 CG TYR A 100 51.156 -9.736 -4.930 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.058 -10.551 -3.817 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.848 -8.399 -4.791 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.666 -10.048 -2.607 1.00 62.13 C ATOM 1578 CE2 TYR A 100 50.458 -7.884 -3.586 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.364 -8.709 -2.494 1.00 51.34 C ATOM 1580 OH TYR A 100 49.958 -8.183 -1.281 1.00 40.22 O ATOM 0 H TYR A 100 53.779 -9.878 -5.130 1.00 43.11 H new ATOM 0 HA TYR A 100 52.347 -12.188 -5.642 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.906 -9.449 -6.887 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.710 -10.722 -6.747 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.295 -11.601 -3.905 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.916 -7.747 -5.649 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.594 -10.696 -1.746 1.00 62.13 H new ATOM 0 HE2 TYR A 100 50.225 -6.833 -3.494 1.00 71.11 H new ATOM 0 HH TYR A 100 50.230 -8.784 -0.556 1.00 40.22 H new ATOM 1590 N THR A 101 53.716 -10.835 -8.312 1.00 71.31 N ATOM 1591 CA THR A 101 54.042 -11.055 -9.697 1.00 4.12 C ATOM 1592 C THR A 101 55.074 -12.167 -9.881 1.00 22.22 C ATOM 1593 O THR A 101 55.003 -12.923 -10.831 1.00 14.53 O ATOM 1594 CB THR A 101 54.472 -9.752 -10.391 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.361 -9.013 -9.540 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.259 -8.904 -10.731 1.00 55.24 C ATOM 0 H THR A 101 54.055 -9.950 -7.934 1.00 71.31 H new ATOM 0 HA THR A 101 53.129 -11.396 -10.186 1.00 4.12 H new ATOM 0 HB THR A 101 54.990 -10.007 -11.316 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.839 -8.505 -8.884 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.583 -7.986 -11.221 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.602 -9.460 -11.400 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.720 -8.656 -9.816 1.00 55.24 H new ATOM 1604 N MET A 102 55.980 -12.286 -8.931 1.00 34.35 N ATOM 1605 CA MET A 102 57.021 -13.322 -8.910 1.00 63.42 C ATOM 1606 C MET A 102 56.383 -14.699 -8.879 1.00 13.22 C ATOM 1607 O MET A 102 56.793 -15.623 -9.599 1.00 73.13 O ATOM 1608 CB MET A 102 57.837 -13.130 -7.641 1.00 43.15 C ATOM 1609 CG MET A 102 59.076 -13.982 -7.497 1.00 11.42 C ATOM 1610 SD MET A 102 59.889 -13.693 -5.906 1.00 45.04 S ATOM 1611 CE MET A 102 59.978 -11.892 -5.880 1.00 54.24 C ATOM 0 H MET A 102 56.023 -11.656 -8.130 1.00 34.35 H new ATOM 0 HA MET A 102 57.647 -13.242 -9.798 1.00 63.42 H new ATOM 0 HB2 MET A 102 58.135 -12.083 -7.583 1.00 43.15 H new ATOM 0 HB3 MET A 102 57.189 -13.325 -6.787 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.809 -15.035 -7.586 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.769 -13.760 -8.308 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.823 -11.578 -5.267 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.109 -11.519 -6.896 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.056 -11.488 -5.462 1.00 54.24 H new ATOM 1621 N ILE A 103 55.343 -14.797 -8.087 1.00 3.21 N ATOM 1622 CA ILE A 103 54.638 -16.035 -7.864 1.00 52.20 C ATOM 1623 C ILE A 103 53.694 -16.284 -9.026 1.00 5.52 C ATOM 1624 O ILE A 103 53.666 -17.366 -9.601 1.00 70.30 O ATOM 1625 CB ILE A 103 53.839 -15.962 -6.532 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.792 -15.703 -5.354 1.00 12.42 C ATOM 1627 CG2 ILE A 103 53.055 -17.247 -6.300 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.093 -15.366 -4.050 1.00 2.12 C ATOM 0 H ILE A 103 54.957 -14.006 -7.571 1.00 3.21 H new ATOM 0 HA ILE A 103 55.353 -16.855 -7.794 1.00 52.20 H new ATOM 0 HB ILE A 103 53.131 -15.136 -6.603 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.413 -16.586 -5.203 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.462 -14.884 -5.616 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.504 -17.173 -5.362 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.355 -17.399 -7.121 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.744 -18.090 -6.250 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.837 -15.198 -3.271 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.494 -14.464 -4.180 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.445 -16.193 -3.760 1.00 2.12 H new ATOM 1640 N TYR A 104 52.968 -15.247 -9.396 1.00 40.11 N ATOM 1641 CA TYR A 104 52.009 -15.287 -10.483 1.00 44.15 C ATOM 1642 C TYR A 104 52.667 -15.634 -11.829 1.00 13.14 C ATOM 1643 O TYR A 104 52.072 -16.292 -12.668 1.00 40.12 O ATOM 1644 CB TYR A 104 51.227 -13.955 -10.511 1.00 10.23 C ATOM 1645 CG TYR A 104 50.933 -13.401 -11.869 1.00 54.34 C ATOM 1646 CD1 TYR A 104 51.844 -12.558 -12.469 1.00 54.33 C ATOM 1647 CD2 TYR A 104 49.765 -13.709 -12.544 1.00 23.41 C ATOM 1648 CE1 TYR A 104 51.608 -12.028 -13.716 1.00 5.31 C ATOM 1649 CE2 TYR A 104 49.512 -13.187 -13.792 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.438 -12.346 -14.376 1.00 60.51 C ATOM 1651 OH TYR A 104 50.200 -11.832 -15.632 1.00 1.15 O ATOM 0 H TYR A 104 53.029 -14.336 -8.941 1.00 40.11 H new ATOM 0 HA TYR A 104 51.299 -16.096 -10.308 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.283 -14.099 -9.986 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.793 -13.211 -9.951 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.759 -12.310 -11.951 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.042 -14.368 -12.085 1.00 23.41 H new ATOM 0 HE1 TYR A 104 52.331 -11.369 -14.174 1.00 5.31 H new ATOM 0 HE2 TYR A 104 48.597 -13.433 -14.310 1.00 54.14 H new ATOM 0 HH TYR A 104 49.333 -12.153 -15.958 1.00 1.15 H new ATOM 1661 N ARG A 105 53.896 -15.212 -12.004 1.00 53.53 N ATOM 1662 CA ARG A 105 54.660 -15.467 -13.224 1.00 5.51 C ATOM 1663 C ARG A 105 55.156 -16.929 -13.249 1.00 13.24 C ATOM 1664 O ARG A 105 55.645 -17.431 -14.266 1.00 2.23 O ATOM 1665 CB ARG A 105 55.837 -14.486 -13.265 1.00 24.32 C ATOM 1666 CG ARG A 105 56.662 -14.474 -14.529 1.00 13.52 C ATOM 1667 CD ARG A 105 57.746 -13.415 -14.424 1.00 62.13 C ATOM 1668 NE ARG A 105 58.548 -13.287 -15.644 1.00 23.52 N ATOM 1669 CZ ARG A 105 59.880 -13.157 -15.674 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.592 -13.311 -14.562 1.00 4.40 N ATOM 1671 NH2 ARG A 105 60.501 -12.912 -16.822 1.00 43.11 N ATOM 0 H ARG A 105 54.408 -14.676 -11.303 1.00 53.53 H new ATOM 0 HA ARG A 105 54.031 -15.320 -14.102 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.449 -13.481 -13.102 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.498 -14.712 -12.428 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.112 -15.454 -14.690 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.024 -14.271 -15.389 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.285 -12.454 -14.197 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.403 -13.658 -13.589 1.00 62.13 H new ATOM 0 HE ARG A 105 58.055 -13.298 -16.537 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.124 -13.529 -13.683 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.607 -13.211 -14.588 1.00 4.40 H new ATOM 0 HH21 ARG A 105 59.963 -12.822 -17.684 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.516 -12.813 -16.842 1.00 43.11 H new ATOM 1685 N ASN A 106 55.021 -17.602 -12.128 1.00 14.40 N ATOM 1686 CA ASN A 106 55.453 -18.977 -12.003 1.00 75.13 C ATOM 1687 C ASN A 106 54.320 -19.937 -11.730 1.00 64.35 C ATOM 1688 O ASN A 106 54.530 -21.123 -11.440 1.00 43.10 O ATOM 1689 CB ASN A 106 56.585 -19.145 -11.025 1.00 32.11 C ATOM 1690 CG ASN A 106 57.891 -18.678 -11.602 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.560 -19.430 -12.304 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.287 -17.465 -11.303 1.00 61.11 N ATOM 0 H ASN A 106 54.610 -17.213 -11.279 1.00 14.40 H new ATOM 0 HA ASN A 106 55.845 -19.245 -12.984 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.367 -18.584 -10.116 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.667 -20.194 -10.740 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.178 -17.118 -11.657 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.704 -16.868 -10.716 1.00 61.11 H new ATOM 1699 N LEU A 107 53.139 -19.437 -11.813 1.00 34.24 N ATOM 1700 CA LEU A 107 51.960 -20.263 -11.735 1.00 22.31 C ATOM 1701 C LEU A 107 51.191 -20.025 -13.012 1.00 22.33 C ATOM 1702 O LEU A 107 51.457 -19.044 -13.698 1.00 3.21 O ATOM 1703 CB LEU A 107 51.115 -19.930 -10.479 1.00 10.31 C ATOM 1704 CG LEU A 107 50.439 -18.557 -10.438 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.065 -18.546 -11.084 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.419 -17.979 -9.047 1.00 33.10 C ATOM 0 H LEU A 107 52.949 -18.443 -11.937 1.00 34.24 H new ATOM 0 HA LEU A 107 52.224 -21.316 -11.635 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.341 -20.691 -10.380 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.760 -20.016 -9.605 1.00 10.31 H new ATOM 0 HG LEU A 107 51.058 -17.900 -11.050 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.641 -17.544 -11.021 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.153 -18.838 -12.131 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.413 -19.249 -10.565 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.930 -17.005 -9.065 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.871 -18.648 -8.383 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.441 -17.866 -8.685 1.00 33.10 H new ATOM 1718 N VAL A 108 50.283 -20.878 -13.361 1.00 63.11 N ATOM 1719 CA VAL A 108 49.554 -20.648 -14.585 1.00 1.01 C ATOM 1720 C VAL A 108 48.115 -20.289 -14.318 1.00 71.42 C ATOM 1721 O VAL A 108 47.465 -20.898 -13.466 1.00 31.43 O ATOM 1722 CB VAL A 108 49.700 -21.774 -15.659 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.142 -21.859 -16.144 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.259 -23.120 -15.129 1.00 72.10 C ATOM 0 H VAL A 108 50.027 -21.718 -12.841 1.00 63.11 H new ATOM 0 HA VAL A 108 50.035 -19.783 -15.041 1.00 1.01 H new ATOM 0 HB VAL A 108 49.049 -21.513 -16.493 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.229 -22.647 -16.892 1.00 45.42 H new ATOM 0 HG12 VAL A 108 51.434 -20.906 -16.586 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.796 -22.084 -15.302 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.377 -23.874 -15.907 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.870 -23.390 -14.267 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.212 -23.068 -14.830 1.00 72.10 H new ATOM 1794 N THR B 305 60.399 -9.381 11.456 1.00 33.52 N ATOM 1795 CA THR B 305 60.799 -10.716 11.262 1.00 3.31 C ATOM 1796 C THR B 305 60.348 -11.235 9.889 1.00 54.44 C ATOM 1797 O THR B 305 59.179 -11.059 9.514 1.00 34.54 O ATOM 1798 CB THR B 305 60.126 -11.522 12.360 1.00 43.20 C ATOM 1799 OG1 THR B 305 60.443 -10.939 13.632 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.580 -12.929 12.334 1.00 31.13 C ATOM 0 HA THR B 305 61.885 -10.801 11.298 1.00 3.31 H new ATOM 0 HB THR B 305 59.048 -11.506 12.198 1.00 43.20 H new ATOM 0 HG1 THR B 305 60.425 -9.962 13.558 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.084 -13.486 13.129 1.00 31.13 H new ATOM 0 HG22 THR B 305 60.332 -13.374 11.370 1.00 31.13 H new ATOM 0 HG23 THR B 305 61.659 -12.966 12.483 1.00 31.13 H new ATOM 1808 N PHE B 306 61.270 -11.885 9.176 1.00 23.43 N ATOM 1809 CA PHE B 306 61.034 -12.424 7.845 1.00 31.21 C ATOM 1810 C PHE B 306 59.784 -13.313 7.794 1.00 61.12 C ATOM 1811 O PHE B 306 58.883 -13.078 6.993 1.00 3.43 O ATOM 1812 CB PHE B 306 62.275 -13.192 7.359 1.00 53.41 C ATOM 1813 CG PHE B 306 62.114 -13.819 6.010 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.149 -13.045 4.867 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.913 -15.183 5.888 1.00 73.14 C ATOM 1816 CE1 PHE B 306 61.991 -13.617 3.630 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.752 -15.758 4.652 1.00 14.34 C ATOM 1818 CZ PHE B 306 61.791 -14.974 3.521 1.00 41.22 C ATOM 0 H PHE B 306 62.216 -12.052 9.518 1.00 23.43 H new ATOM 0 HA PHE B 306 60.851 -11.584 7.175 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.124 -12.509 7.332 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.515 -13.970 8.084 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.302 -11.979 4.948 1.00 42.23 H new ATOM 0 HD2 PHE B 306 61.883 -15.801 6.773 1.00 73.14 H new ATOM 0 HE1 PHE B 306 62.024 -13.003 2.742 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.595 -16.823 4.567 1.00 14.34 H new ATOM 0 HZ PHE B 306 61.665 -15.424 2.548 1.00 41.22 H new ATOM 1828 N GLU B 307 59.710 -14.287 8.685 1.00 22.24 N ATOM 1829 CA GLU B 307 58.591 -15.226 8.714 1.00 73.43 C ATOM 1830 C GLU B 307 57.266 -14.511 8.995 1.00 33.30 C ATOM 1831 O GLU B 307 56.223 -14.917 8.510 1.00 31.35 O ATOM 1832 CB GLU B 307 58.828 -16.316 9.767 1.00 34.14 C ATOM 1833 CG GLU B 307 57.727 -17.375 9.832 1.00 23.45 C ATOM 1834 CD GLU B 307 57.944 -18.377 10.931 1.00 64.23 C ATOM 1835 OE1 GLU B 307 57.963 -17.977 12.111 1.00 13.13 O ATOM 1836 OE2 GLU B 307 58.061 -19.589 10.649 1.00 53.15 O ATOM 0 H GLU B 307 60.414 -14.452 9.404 1.00 22.24 H new ATOM 0 HA GLU B 307 58.527 -15.688 7.729 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.778 -16.808 9.557 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.922 -15.846 10.746 1.00 34.14 H new ATOM 0 HG2 GLU B 307 56.765 -16.884 9.980 1.00 23.45 H new ATOM 0 HG3 GLU B 307 57.675 -17.897 8.876 1.00 23.45 H new ATOM 1843 N HIS B 308 57.327 -13.405 9.715 1.00 4.31 N ATOM 1844 CA HIS B 308 56.113 -12.710 10.112 1.00 63.23 C ATOM 1845 C HIS B 308 55.641 -11.869 8.957 1.00 43.42 C ATOM 1846 O HIS B 308 54.476 -11.883 8.604 1.00 4.03 O ATOM 1847 CB HIS B 308 56.366 -11.798 11.327 1.00 63.24 C ATOM 1848 CG HIS B 308 55.111 -11.203 11.960 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.754 -11.408 13.277 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.168 -10.368 11.456 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.656 -10.730 13.551 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.280 -10.086 12.461 1.00 65.13 N ATOM 0 H HIS B 308 58.193 -12.972 10.034 1.00 4.31 H new ATOM 0 HA HIS B 308 55.361 -13.449 10.388 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.901 -12.369 12.086 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.021 -10.983 11.020 1.00 63.24 H new ATOM 0 HD2 HIS B 308 54.125 -9.993 10.444 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.150 -10.706 14.505 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.464 -9.479 12.381 1.00 65.13 H new ATOM 1860 N LEU B 309 56.567 -11.169 8.360 1.00 64.14 N ATOM 1861 CA LEU B 309 56.252 -10.226 7.306 1.00 52.01 C ATOM 1862 C LEU B 309 55.810 -10.913 6.013 1.00 42.30 C ATOM 1863 O LEU B 309 54.982 -10.391 5.269 1.00 13.44 O ATOM 1864 CB LEU B 309 57.444 -9.253 7.087 1.00 30.00 C ATOM 1865 CG LEU B 309 58.817 -9.853 6.674 1.00 51.22 C ATOM 1866 CD1 LEU B 309 58.849 -10.332 5.242 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.929 -8.878 6.915 1.00 12.40 C ATOM 0 H LEU B 309 57.560 -11.231 8.585 1.00 64.14 H new ATOM 0 HA LEU B 309 55.391 -9.639 7.626 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.151 -8.535 6.321 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.590 -8.693 8.010 1.00 30.00 H new ATOM 0 HG LEU B 309 58.963 -10.728 7.308 1.00 51.22 H new ATOM 0 HD11 LEU B 309 59.835 -10.739 5.017 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.095 -11.106 5.100 1.00 10.42 H new ATOM 0 HD13 LEU B 309 58.640 -9.496 4.574 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.877 -9.326 6.617 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.754 -7.975 6.330 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.966 -8.623 7.974 1.00 12.40 H new ATOM 1879 N TRP B 310 56.325 -12.098 5.790 1.00 43.14 N ATOM 1880 CA TRP B 310 56.098 -12.812 4.562 1.00 14.01 C ATOM 1881 C TRP B 310 54.743 -13.481 4.597 1.00 31.23 C ATOM 1882 O TRP B 310 54.001 -13.481 3.622 1.00 14.12 O ATOM 1883 CB TRP B 310 57.237 -13.821 4.347 1.00 43.11 C ATOM 1884 CG TRP B 310 57.111 -14.652 3.121 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.522 -15.849 3.042 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.588 -14.352 1.808 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.581 -16.335 1.770 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.233 -15.437 0.985 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.275 -13.281 1.248 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.539 -15.480 -0.367 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.580 -13.322 -0.093 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.215 -14.414 -0.890 1.00 52.42 C ATOM 0 H TRP B 310 56.915 -12.594 6.459 1.00 43.14 H new ATOM 0 HA TRP B 310 56.095 -12.122 3.718 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.181 -13.278 4.305 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.287 -14.481 5.213 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.062 -16.362 3.874 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.198 -17.227 1.458 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.563 -12.434 1.853 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.255 -16.322 -0.981 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 59.112 -12.495 -0.540 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.473 -14.414 -1.939 1.00 52.42 H new ATOM 1903 N SER B 311 54.388 -13.976 5.753 1.00 14.42 N ATOM 1904 CA SER B 311 53.141 -14.654 5.930 1.00 14.14 C ATOM 1905 C SER B 311 51.997 -13.647 6.069 1.00 41.41 C ATOM 1906 O SER B 311 50.823 -14.006 6.046 1.00 31.14 O ATOM 1907 CB SER B 311 53.245 -15.541 7.156 1.00 42.43 C ATOM 1908 OG SER B 311 53.613 -14.781 8.294 1.00 14.24 O ATOM 0 H SER B 311 54.959 -13.918 6.596 1.00 14.42 H new ATOM 0 HA SER B 311 52.924 -15.270 5.057 1.00 14.14 H new ATOM 0 HB2 SER B 311 52.290 -16.035 7.336 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.982 -16.325 6.982 1.00 42.43 H new ATOM 0 HG SER B 311 54.590 -14.744 8.361 1.00 14.24 H new ATOM 1914 N SER B 312 52.347 -12.398 6.178 1.00 1.11 N ATOM 1915 CA SER B 312 51.389 -11.352 6.360 1.00 11.44 C ATOM 1916 C SER B 312 51.354 -10.424 5.156 1.00 60.40 C ATOM 1917 O SER B 312 50.845 -9.304 5.242 1.00 41.34 O ATOM 1918 CB SER B 312 51.745 -10.575 7.617 1.00 21.31 C ATOM 1919 OG SER B 312 51.773 -11.444 8.742 1.00 22.34 O ATOM 0 H SER B 312 53.314 -12.077 6.142 1.00 1.11 H new ATOM 0 HA SER B 312 50.397 -11.791 6.464 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.717 -10.096 7.494 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.017 -9.781 7.780 1.00 21.31 H new ATOM 0 HG SER B 312 52.691 -11.750 8.896 1.00 22.34 H new ATOM 1925 N LEU B 313 51.852 -10.872 4.002 1.00 4.23 N ATOM 1926 CA LEU B 313 51.864 -9.950 2.882 1.00 14.51 C ATOM 1927 C LEU B 313 50.631 -10.119 2.013 1.00 52.23 C ATOM 1928 O LEU B 313 50.479 -9.470 0.977 1.00 52.02 O ATOM 1929 CB LEU B 313 53.212 -9.942 2.114 1.00 61.41 C ATOM 1930 CG LEU B 313 53.661 -11.186 1.348 1.00 1.40 C ATOM 1931 CD1 LEU B 313 52.913 -11.322 0.032 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.157 -11.129 1.110 1.00 23.23 C ATOM 0 H LEU B 313 52.227 -11.804 3.829 1.00 4.23 H new ATOM 0 HA LEU B 313 51.798 -8.939 3.285 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.174 -9.118 1.401 1.00 61.41 H new ATOM 0 HB3 LEU B 313 53.995 -9.705 2.835 1.00 61.41 H new ATOM 0 HG LEU B 313 53.429 -12.065 1.950 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.254 -12.216 -0.490 1.00 73.31 H new ATOM 0 HD12 LEU B 313 51.844 -11.402 0.228 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.104 -10.445 -0.587 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.473 -12.018 0.564 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.399 -10.240 0.528 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.676 -11.088 2.067 1.00 23.23 H new ATOM 1944 N GLU B 314 49.744 -10.973 2.487 1.00 50.02 N ATOM 1945 CA GLU B 314 48.455 -11.225 1.874 1.00 22.11 C ATOM 1946 C GLU B 314 47.553 -10.010 2.135 1.00 24.03 C ATOM 1947 O GLU B 314 47.805 -9.237 3.081 1.00 52.11 O ATOM 1948 CB GLU B 314 47.795 -12.460 2.537 1.00 41.12 C ATOM 1949 CG GLU B 314 47.455 -12.226 4.009 1.00 31.33 C ATOM 1950 CD GLU B 314 46.691 -13.348 4.661 1.00 73.45 C ATOM 1951 OE1 GLU B 314 45.447 -13.332 4.638 1.00 13.23 O ATOM 1952 OE2 GLU B 314 47.314 -14.242 5.248 1.00 40.53 O ATOM 0 H GLU B 314 49.905 -11.524 3.330 1.00 50.02 H new ATOM 0 HA GLU B 314 48.585 -11.401 0.806 1.00 22.11 H new ATOM 0 HB2 GLU B 314 46.885 -12.716 1.994 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.467 -13.314 2.455 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.381 -12.065 4.561 1.00 31.33 H new ATOM 0 HG3 GLU B 314 46.871 -11.309 4.092 1.00 31.33 H new ATOM 1959 N PRO B 315 46.530 -9.796 1.323 1.00 10.45 N ATOM 1960 CA PRO B 315 45.569 -8.764 1.596 1.00 54.32 C ATOM 1961 C PRO B 315 44.581 -9.233 2.683 1.00 3.22 C ATOM 1962 O PRO B 315 44.715 -8.857 3.863 1.00 2.51 O ATOM 1963 CB PRO B 315 44.870 -8.519 0.252 1.00 25.23 C ATOM 1964 CG PRO B 315 45.158 -9.723 -0.596 1.00 44.42 C ATOM 1965 CD PRO B 315 46.254 -10.517 0.074 1.00 62.12 C ATOM 0 HA PRO B 315 46.022 -7.849 1.979 1.00 54.32 H new ATOM 0 HB2 PRO B 315 43.797 -8.388 0.390 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.244 -7.611 -0.221 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.261 -10.332 -0.709 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.465 -9.419 -1.597 1.00 44.42 H new ATOM 0 HD2 PRO B 315 45.937 -11.541 0.270 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.143 -10.573 -0.555 1.00 62.12 H new ATOM 1973 N ASP B 316 43.656 -10.106 2.293 1.00 41.21 N ATOM 1974 CA ASP B 316 42.648 -10.685 3.169 1.00 41.22 C ATOM 1975 C ASP B 316 41.744 -11.543 2.333 1.00 10.30 C ATOM 1976 O ASP B 316 40.870 -11.006 1.650 1.00 0.00 O ATOM 1977 CB ASP B 316 41.824 -9.620 3.896 1.00 11.05 C ATOM 1978 CG ASP B 316 40.775 -10.217 4.801 1.00 61.13 C ATOM 1979 OD1 ASP B 316 41.129 -11.005 5.712 1.00 1.52 O ATOM 1980 OD2 ASP B 316 39.584 -9.868 4.666 1.00 52.21 O ATOM 1981 OXT ASP B 316 41.954 -12.755 2.281 1.00 0.00 O ATOM 0 H ASP B 316 43.587 -10.438 1.331 1.00 41.21 H new ATOM 0 HA ASP B 316 43.152 -11.272 3.937 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.490 -8.989 4.485 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.341 -8.975 3.162 1.00 11.05 H new