USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 ASN : amide:sc= 0.659 K(o=1.4,f=-2) USER MOD Set 1.2: A 82 THR OG1 : rot 80:sc= 0.727 USER MOD Set 2.1: A 30 SER OG : rot 134:sc= -0.342 USER MOD Set 2.2: A 61 TYR OH : rot 15:sc= -0.342 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -132:sc= 0.403 (180deg=-2.16) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.195 F(o=-0.88,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ 140:sc= -0.143 (180deg=-1.68!) USER MOD Single : A 38 THR OG1 : rot -143:sc= -0.966 USER MOD Single : A 43 SER OG : rot 180:sc= 0.344 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00226) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -137:sc= -0.0636 (180deg=-1.87) USER MOD Single : A 54 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.9!) USER MOD Single : A 63 SER OG : rot 69:sc= 0.296 USER MOD Single : A 66 ASN : amide:sc= 0.432 X(o=0.43,f=-0.03) USER MOD Single : A 73 TYR OH : rot 74:sc= 0.365 USER MOD Single : A 74 TYR OH : rot 83:sc= 0.336 USER MOD Single : A 77 THR OG1 : rot -85:sc= 0.0521 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -114:sc= -0.208 USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= 0.641 (180deg=-0.678) USER MOD Single : A 91 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.011) USER MOD Single : A 92 SER OG : rot -176:sc= 0.128 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -0.0383 (180deg=-0.236) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.1!) USER MOD Single : A 99 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.33) USER MOD Single : A 102 SER OG : rot 68:sc= 0.227 USER MOD Single : A 104 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.584 -11.600 -7.662 1.00 34.21 N ATOM 323 CA ASP A 20 -11.247 -10.282 -7.818 1.00 62.43 C ATOM 324 C ASP A 20 -11.843 -9.772 -6.470 1.00 1.44 C ATOM 325 O ASP A 20 -11.740 -8.578 -6.155 1.00 3.13 O ATOM 326 CB ASP A 20 -12.341 -10.361 -8.916 1.00 54.04 C ATOM 327 CG ASP A 20 -13.345 -11.496 -8.669 1.00 74.54 C ATOM 328 OD1 ASP A 20 -13.046 -12.645 -9.038 1.00 1.02 O ATOM 329 OD2 ASP A 20 -14.415 -11.250 -8.077 1.00 12.13 O ATOM 0 HA ASP A 20 -10.492 -9.560 -8.127 1.00 62.43 H new ATOM 0 HB2 ASP A 20 -12.875 -9.412 -8.960 1.00 54.04 H new ATOM 0 HB3 ASP A 20 -11.867 -10.506 -9.887 1.00 54.04 H new ATOM 334 N LYS A 21 -12.456 -10.687 -5.676 1.00 40.44 N ATOM 335 CA LYS A 21 -12.952 -10.362 -4.308 1.00 41.24 C ATOM 336 C LYS A 21 -11.797 -10.071 -3.330 1.00 50.43 C ATOM 337 O LYS A 21 -11.972 -9.286 -2.394 1.00 11.05 O ATOM 338 CB LYS A 21 -13.838 -11.494 -3.723 1.00 61.21 C ATOM 339 CG LYS A 21 -15.244 -11.604 -4.344 1.00 44.21 C ATOM 340 CD LYS A 21 -16.147 -12.567 -3.543 1.00 54.32 C ATOM 341 CE LYS A 21 -17.577 -12.640 -4.086 1.00 52.12 C ATOM 342 NZ LYS A 21 -18.430 -13.535 -3.261 1.00 4.04 N ATOM 0 H LYS A 21 -12.620 -11.654 -5.956 1.00 40.44 H new ATOM 0 HA LYS A 21 -13.558 -9.463 -4.419 1.00 41.24 H new ATOM 0 HB2 LYS A 21 -13.322 -12.445 -3.857 1.00 61.21 H new ATOM 0 HB3 LYS A 21 -13.942 -11.336 -2.650 1.00 61.21 H new ATOM 0 HG2 LYS A 21 -15.705 -10.617 -4.379 1.00 44.21 H new ATOM 0 HG3 LYS A 21 -15.161 -11.954 -5.373 1.00 44.21 H new ATOM 0 HD2 LYS A 21 -15.708 -13.564 -3.558 1.00 54.32 H new ATOM 0 HD3 LYS A 21 -16.176 -12.247 -2.501 1.00 54.32 H new ATOM 0 HE2 LYS A 21 -18.011 -11.640 -4.106 1.00 52.12 H new ATOM 0 HE3 LYS A 21 -17.558 -13.000 -5.115 1.00 52.12 H new ATOM 0 HZ1 LYS A 21 -19.391 -13.561 -3.657 1.00 4.04 H new ATOM 0 HZ2 LYS A 21 -18.029 -14.495 -3.262 1.00 4.04 H new ATOM 0 HZ3 LYS A 21 -18.467 -13.177 -2.285 1.00 4.04 H new ATOM 356 N LYS A 22 -10.633 -10.725 -3.530 1.00 13.01 N ATOM 357 CA LYS A 22 -9.431 -10.470 -2.706 1.00 11.12 C ATOM 358 C LYS A 22 -8.847 -9.071 -2.996 1.00 31.13 C ATOM 359 O LYS A 22 -8.398 -8.380 -2.082 1.00 52.44 O ATOM 360 CB LYS A 22 -8.347 -11.551 -2.928 1.00 42.03 C ATOM 361 CG LYS A 22 -7.156 -11.424 -1.951 1.00 61.35 C ATOM 362 CD LYS A 22 -6.093 -12.514 -2.156 1.00 43.03 C ATOM 363 CE LYS A 22 -5.034 -12.516 -1.045 1.00 21.04 C ATOM 364 NZ LYS A 22 -4.205 -13.750 -1.058 1.00 3.53 N ATOM 0 H LYS A 22 -10.500 -11.432 -4.253 1.00 13.01 H new ATOM 0 HA LYS A 22 -9.744 -10.511 -1.663 1.00 11.12 H new ATOM 0 HB2 LYS A 22 -8.797 -12.537 -2.816 1.00 42.03 H new ATOM 0 HB3 LYS A 22 -7.979 -11.483 -3.952 1.00 42.03 H new ATOM 0 HG2 LYS A 22 -6.693 -10.445 -2.076 1.00 61.35 H new ATOM 0 HG3 LYS A 22 -7.526 -11.473 -0.927 1.00 61.35 H new ATOM 0 HD2 LYS A 22 -6.579 -13.489 -2.193 1.00 43.03 H new ATOM 0 HD3 LYS A 22 -5.605 -12.365 -3.119 1.00 43.03 H new ATOM 0 HE2 LYS A 22 -4.388 -11.646 -1.160 1.00 21.04 H new ATOM 0 HE3 LYS A 22 -5.526 -12.422 -0.077 1.00 21.04 H new ATOM 0 HZ1 LYS A 22 -4.145 -14.138 -0.095 1.00 3.53 H new ATOM 0 HZ2 LYS A 22 -4.639 -14.453 -1.689 1.00 3.53 H new ATOM 0 HZ3 LYS A 22 -3.249 -13.523 -1.399 1.00 3.53 H new ATOM 378 N ARG A 23 -8.853 -8.669 -4.285 1.00 12.20 N ATOM 379 CA ARG A 23 -8.477 -7.296 -4.700 1.00 60.33 C ATOM 380 C ARG A 23 -9.420 -6.277 -4.047 1.00 74.14 C ATOM 381 O ARG A 23 -8.970 -5.305 -3.463 1.00 15.25 O ATOM 382 CB ARG A 23 -8.511 -7.149 -6.244 1.00 74.12 C ATOM 383 CG ARG A 23 -7.522 -8.074 -6.976 1.00 22.41 C ATOM 384 CD ARG A 23 -7.677 -8.055 -8.518 1.00 54.24 C ATOM 385 NE ARG A 23 -7.289 -9.339 -9.139 1.00 61.11 N ATOM 386 CZ ARG A 23 -6.065 -9.729 -9.443 1.00 52.21 C ATOM 387 NH1 ARG A 23 -5.026 -9.011 -9.173 1.00 62.53 N ATOM 388 NH2 ARG A 23 -5.899 -10.871 -10.013 1.00 10.11 N ATOM 0 H ARG A 23 -9.115 -9.277 -5.061 1.00 12.20 H new ATOM 0 HA ARG A 23 -7.457 -7.105 -4.368 1.00 60.33 H new ATOM 0 HB2 ARG A 23 -9.520 -7.358 -6.598 1.00 74.12 H new ATOM 0 HB3 ARG A 23 -8.289 -6.115 -6.507 1.00 74.12 H new ATOM 0 HG2 ARG A 23 -6.504 -7.780 -6.718 1.00 22.41 H new ATOM 0 HG3 ARG A 23 -7.660 -9.094 -6.618 1.00 22.41 H new ATOM 0 HD2 ARG A 23 -8.712 -7.829 -8.774 1.00 54.24 H new ATOM 0 HD3 ARG A 23 -7.064 -7.254 -8.932 1.00 54.24 H new ATOM 0 HE ARG A 23 -8.044 -9.990 -9.355 1.00 61.11 H new ATOM 0 HH11 ARG A 23 -5.136 -8.109 -8.709 1.00 62.53 H new ATOM 0 HH12 ARG A 23 -4.096 -9.346 -9.423 1.00 62.53 H new ATOM 0 HH21 ARG A 23 -6.706 -11.458 -10.223 1.00 10.11 H new ATOM 0 HH22 ARG A 23 -4.960 -11.189 -10.255 1.00 10.11 H new ATOM 402 N ALA A 24 -10.733 -6.564 -4.100 1.00 61.42 N ATOM 403 CA ALA A 24 -11.775 -5.717 -3.473 1.00 71.12 C ATOM 404 C ALA A 24 -11.580 -5.606 -1.937 1.00 31.13 C ATOM 405 O ALA A 24 -11.781 -4.539 -1.365 1.00 44.34 O ATOM 406 CB ALA A 24 -13.170 -6.273 -3.797 1.00 2.13 C ATOM 0 H ALA A 24 -11.105 -7.386 -4.576 1.00 61.42 H new ATOM 0 HA ALA A 24 -11.683 -4.713 -3.887 1.00 71.12 H new ATOM 0 HB1 ALA A 24 -13.929 -5.644 -3.332 1.00 2.13 H new ATOM 0 HB2 ALA A 24 -13.317 -6.281 -4.877 1.00 2.13 H new ATOM 0 HB3 ALA A 24 -13.255 -7.289 -3.412 1.00 2.13 H new ATOM 412 N ARG A 25 -11.188 -6.726 -1.297 1.00 33.12 N ATOM 413 CA ARG A 25 -10.908 -6.799 0.159 1.00 13.42 C ATOM 414 C ARG A 25 -9.685 -5.939 0.561 1.00 62.03 C ATOM 415 O ARG A 25 -9.750 -5.161 1.511 1.00 34.55 O ATOM 416 CB ARG A 25 -10.652 -8.276 0.575 1.00 52.24 C ATOM 417 CG ARG A 25 -10.385 -8.486 2.089 1.00 64.43 C ATOM 418 CD ARG A 25 -9.952 -9.926 2.428 1.00 70.11 C ATOM 419 NE ARG A 25 -10.933 -10.924 1.968 1.00 54.11 N ATOM 420 CZ ARG A 25 -11.916 -11.428 2.684 1.00 35.12 C ATOM 421 NH1 ARG A 25 -12.125 -11.057 3.912 1.00 23.13 N ATOM 422 NH2 ARG A 25 -12.688 -12.312 2.151 1.00 72.20 N ATOM 0 H ARG A 25 -11.054 -7.616 -1.777 1.00 33.12 H new ATOM 0 HA ARG A 25 -11.782 -6.405 0.677 1.00 13.42 H new ATOM 0 HB2 ARG A 25 -11.515 -8.876 0.286 1.00 52.24 H new ATOM 0 HB3 ARG A 25 -9.798 -8.655 0.013 1.00 52.24 H new ATOM 0 HG2 ARG A 25 -9.610 -7.793 2.416 1.00 64.43 H new ATOM 0 HG3 ARG A 25 -11.288 -8.242 2.649 1.00 64.43 H new ATOM 0 HD2 ARG A 25 -8.985 -10.131 1.968 1.00 70.11 H new ATOM 0 HD3 ARG A 25 -9.819 -10.020 3.506 1.00 70.11 H new ATOM 0 HE ARG A 25 -10.842 -11.255 1.007 1.00 54.11 H new ATOM 0 HH11 ARG A 25 -11.520 -10.359 4.344 1.00 23.13 H new ATOM 0 HH12 ARG A 25 -12.894 -11.464 4.444 1.00 23.13 H new ATOM 0 HH21 ARG A 25 -12.533 -12.611 1.188 1.00 72.20 H new ATOM 0 HH22 ARG A 25 -13.454 -12.713 2.692 1.00 72.20 H new ATOM 436 N LEU A 26 -8.568 -6.113 -0.163 1.00 21.24 N ATOM 437 CA LEU A 26 -7.298 -5.414 0.132 1.00 33.45 C ATOM 438 C LEU A 26 -7.401 -3.890 -0.164 1.00 33.43 C ATOM 439 O LEU A 26 -6.868 -3.078 0.589 1.00 40.01 O ATOM 440 CB LEU A 26 -6.125 -6.046 -0.659 1.00 63.53 C ATOM 441 CG LEU A 26 -5.794 -7.556 -0.375 1.00 41.50 C ATOM 442 CD1 LEU A 26 -4.643 -8.043 -1.277 1.00 14.41 C ATOM 443 CD2 LEU A 26 -5.468 -7.777 1.118 1.00 3.31 C ATOM 0 H LEU A 26 -8.515 -6.739 -0.967 1.00 21.24 H new ATOM 0 HA LEU A 26 -7.100 -5.531 1.197 1.00 33.45 H new ATOM 0 HB2 LEU A 26 -6.341 -5.942 -1.722 1.00 63.53 H new ATOM 0 HB3 LEU A 26 -5.228 -5.460 -0.457 1.00 63.53 H new ATOM 0 HG LEU A 26 -6.677 -8.149 -0.613 1.00 41.50 H new ATOM 0 HD11 LEU A 26 -4.431 -9.091 -1.063 1.00 14.41 H new ATOM 0 HD12 LEU A 26 -4.931 -7.937 -2.323 1.00 14.41 H new ATOM 0 HD13 LEU A 26 -3.752 -7.446 -1.084 1.00 14.41 H new ATOM 0 HD21 LEU A 26 -5.242 -8.830 1.289 1.00 3.31 H new ATOM 0 HD22 LEU A 26 -4.605 -7.171 1.396 1.00 3.31 H new ATOM 0 HD23 LEU A 26 -6.326 -7.486 1.725 1.00 3.31 H new ATOM 455 N ILE A 27 -8.097 -3.527 -1.265 1.00 34.42 N ATOM 456 CA ILE A 27 -8.429 -2.113 -1.608 1.00 72.22 C ATOM 457 C ILE A 27 -9.395 -1.495 -0.549 1.00 20.02 C ATOM 458 O ILE A 27 -9.275 -0.320 -0.202 1.00 20.21 O ATOM 459 CB ILE A 27 -9.044 -2.000 -3.074 1.00 62.52 C ATOM 460 CG1 ILE A 27 -8.003 -2.480 -4.143 1.00 42.33 C ATOM 461 CG2 ILE A 27 -9.526 -0.561 -3.398 1.00 2.43 C ATOM 462 CD1 ILE A 27 -8.502 -2.575 -5.585 1.00 62.01 C ATOM 0 H ILE A 27 -8.447 -4.202 -1.945 1.00 34.42 H new ATOM 0 HA ILE A 27 -7.500 -1.542 -1.594 1.00 72.22 H new ATOM 0 HB ILE A 27 -9.918 -2.650 -3.108 1.00 62.52 H new ATOM 0 HG12 ILE A 27 -7.152 -1.799 -4.120 1.00 42.33 H new ATOM 0 HG13 ILE A 27 -7.634 -3.461 -3.844 1.00 42.33 H new ATOM 0 HG21 ILE A 27 -9.937 -0.534 -4.407 1.00 2.43 H new ATOM 0 HG22 ILE A 27 -10.295 -0.266 -2.685 1.00 2.43 H new ATOM 0 HG23 ILE A 27 -8.685 0.129 -3.330 1.00 2.43 H new ATOM 0 HD11 ILE A 27 -7.692 -2.917 -6.229 1.00 62.01 H new ATOM 0 HD12 ILE A 27 -9.330 -3.282 -5.638 1.00 62.01 H new ATOM 0 HD13 ILE A 27 -8.840 -1.594 -5.918 1.00 62.01 H new ATOM 474 N TYR A 28 -10.326 -2.314 -0.024 1.00 3.42 N ATOM 475 CA TYR A 28 -11.260 -1.905 1.061 1.00 4.14 C ATOM 476 C TYR A 28 -10.508 -1.581 2.383 1.00 21.44 C ATOM 477 O TYR A 28 -10.744 -0.541 2.999 1.00 34.14 O ATOM 478 CB TYR A 28 -12.316 -3.019 1.291 1.00 24.05 C ATOM 479 CG TYR A 28 -13.280 -2.786 2.465 1.00 55.54 C ATOM 480 CD1 TYR A 28 -14.183 -1.718 2.459 1.00 73.05 C ATOM 481 CD2 TYR A 28 -13.279 -3.628 3.581 1.00 75.44 C ATOM 482 CE1 TYR A 28 -15.046 -1.506 3.520 1.00 64.13 C ATOM 483 CE2 TYR A 28 -14.140 -3.417 4.636 1.00 31.34 C ATOM 484 CZ TYR A 28 -15.020 -2.357 4.604 1.00 2.24 C ATOM 485 OH TYR A 28 -15.874 -2.146 5.664 1.00 64.14 O ATOM 0 H TYR A 28 -10.458 -3.277 -0.334 1.00 3.42 H new ATOM 0 HA TYR A 28 -11.762 -0.990 0.746 1.00 4.14 H new ATOM 0 HB2 TYR A 28 -12.903 -3.133 0.379 1.00 24.05 H new ATOM 0 HB3 TYR A 28 -11.794 -3.962 1.454 1.00 24.05 H new ATOM 0 HD1 TYR A 28 -14.207 -1.048 1.613 1.00 73.05 H new ATOM 0 HD2 TYR A 28 -12.591 -4.459 3.617 1.00 75.44 H new ATOM 0 HE1 TYR A 28 -15.737 -0.677 3.499 1.00 64.13 H new ATOM 0 HE2 TYR A 28 -14.125 -4.082 5.487 1.00 31.34 H new ATOM 0 HH TYR A 28 -15.728 -2.836 6.344 1.00 64.14 H new ATOM 495 N GLN A 29 -9.594 -2.479 2.795 1.00 52.14 N ATOM 496 CA GLN A 29 -8.761 -2.299 4.015 1.00 22.22 C ATOM 497 C GLN A 29 -7.711 -1.177 3.815 1.00 32.13 C ATOM 498 O GLN A 29 -7.244 -0.569 4.778 1.00 30.02 O ATOM 499 CB GLN A 29 -8.064 -3.629 4.382 1.00 12.14 C ATOM 500 CG GLN A 29 -9.027 -4.802 4.651 1.00 14.14 C ATOM 501 CD GLN A 29 -8.296 -6.114 4.943 1.00 55.15 C ATOM 502 OE1 GLN A 29 -7.940 -6.851 3.905 1.00 50.00 O flip ATOM 503 NE2 GLN A 29 -8.025 -6.444 6.094 1.00 43.25 N flip ATOM 0 H GLN A 29 -9.407 -3.350 2.298 1.00 52.14 H new ATOM 0 HA GLN A 29 -9.416 -2.003 4.834 1.00 22.22 H new ATOM 0 HB2 GLN A 29 -7.390 -3.907 3.572 1.00 12.14 H new ATOM 0 HB3 GLN A 29 -7.449 -3.470 5.268 1.00 12.14 H new ATOM 0 HG2 GLN A 29 -9.669 -4.553 5.496 1.00 14.14 H new ATOM 0 HG3 GLN A 29 -9.677 -4.938 3.787 1.00 14.14 H new ATOM 0 HE21 GLN A 29 -8.313 -5.854 6.875 1.00 43.25 H new ATOM 0 HE22 GLN A 29 -7.512 -7.308 6.269 1.00 43.25 H new ATOM 512 N SER A 30 -7.352 -0.934 2.543 1.00 41.34 N ATOM 513 CA SER A 30 -6.503 0.207 2.123 1.00 64.31 C ATOM 514 C SER A 30 -7.239 1.553 2.291 1.00 15.34 C ATOM 515 O SER A 30 -6.620 2.584 2.542 1.00 54.23 O ATOM 516 CB SER A 30 -6.098 0.030 0.648 1.00 13.43 C ATOM 517 OG SER A 30 -5.404 1.152 0.152 1.00 33.23 O ATOM 0 H SER A 30 -7.643 -1.527 1.766 1.00 41.34 H new ATOM 0 HA SER A 30 -5.618 0.221 2.760 1.00 64.31 H new ATOM 0 HB2 SER A 30 -5.472 -0.857 0.548 1.00 13.43 H new ATOM 0 HB3 SER A 30 -6.990 -0.140 0.045 1.00 13.43 H new ATOM 0 HG SER A 30 -4.609 0.855 -0.338 1.00 33.23 H new ATOM 523 N ARG A 31 -8.569 1.517 2.109 1.00 65.21 N ATOM 524 CA ARG A 31 -9.460 2.685 2.290 1.00 3.42 C ATOM 525 C ARG A 31 -10.075 2.724 3.708 1.00 32.53 C ATOM 526 O ARG A 31 -10.926 3.569 4.001 1.00 23.24 O ATOM 527 CB ARG A 31 -10.542 2.657 1.184 1.00 30.53 C ATOM 528 CG ARG A 31 -9.953 2.840 -0.235 1.00 71.34 C ATOM 529 CD ARG A 31 -10.989 2.697 -1.361 1.00 62.12 C ATOM 530 NE ARG A 31 -10.397 3.037 -2.671 1.00 21.42 N ATOM 531 CZ ARG A 31 -10.909 2.752 -3.842 1.00 61.31 C ATOM 532 NH1 ARG A 31 -11.997 2.056 -3.957 1.00 4.32 N ATOM 533 NH2 ARG A 31 -10.324 3.181 -4.905 1.00 73.15 N ATOM 0 H ARG A 31 -9.065 0.671 1.829 1.00 65.21 H new ATOM 0 HA ARG A 31 -8.879 3.603 2.196 1.00 3.42 H new ATOM 0 HB2 ARG A 31 -11.078 1.709 1.230 1.00 30.53 H new ATOM 0 HB3 ARG A 31 -11.270 3.445 1.375 1.00 30.53 H new ATOM 0 HG2 ARG A 31 -9.491 3.825 -0.302 1.00 71.34 H new ATOM 0 HG3 ARG A 31 -9.162 2.106 -0.387 1.00 71.34 H new ATOM 0 HD2 ARG A 31 -11.368 1.675 -1.383 1.00 62.12 H new ATOM 0 HD3 ARG A 31 -11.840 3.349 -1.162 1.00 62.12 H new ATOM 0 HE ARG A 31 -9.509 3.539 -2.663 1.00 21.42 H new ATOM 0 HH11 ARG A 31 -12.476 1.716 -3.123 1.00 4.32 H new ATOM 0 HH12 ARG A 31 -12.374 1.848 -4.882 1.00 4.32 H new ATOM 0 HH21 ARG A 31 -9.472 3.736 -4.829 1.00 73.15 H new ATOM 0 HH22 ARG A 31 -10.713 2.966 -5.823 1.00 73.15 H new ATOM 547 N LYS A 32 -9.667 1.779 4.583 1.00 44.24 N ATOM 548 CA LYS A 32 -9.848 1.925 6.043 1.00 71.42 C ATOM 549 C LYS A 32 -8.509 2.418 6.635 1.00 32.21 C ATOM 550 O LYS A 32 -7.530 1.665 6.688 1.00 1.33 O ATOM 551 CB LYS A 32 -10.284 0.582 6.694 1.00 15.04 C ATOM 552 CG LYS A 32 -11.616 0.018 6.148 1.00 32.51 C ATOM 553 CD LYS A 32 -12.233 -1.109 7.018 1.00 11.22 C ATOM 554 CE LYS A 32 -11.417 -2.427 7.052 1.00 23.12 C ATOM 555 NZ LYS A 32 -10.184 -2.334 7.881 1.00 54.13 N ATOM 0 H LYS A 32 -9.212 0.910 4.304 1.00 44.24 H new ATOM 0 HA LYS A 32 -10.640 2.644 6.251 1.00 71.42 H new ATOM 0 HB2 LYS A 32 -9.498 -0.157 6.538 1.00 15.04 H new ATOM 0 HB3 LYS A 32 -10.377 0.726 7.770 1.00 15.04 H new ATOM 0 HG2 LYS A 32 -12.336 0.832 6.065 1.00 32.51 H new ATOM 0 HG3 LYS A 32 -11.450 -0.365 5.141 1.00 32.51 H new ATOM 0 HD2 LYS A 32 -12.344 -0.741 8.038 1.00 11.22 H new ATOM 0 HD3 LYS A 32 -13.234 -1.328 6.647 1.00 11.22 H new ATOM 0 HE2 LYS A 32 -12.048 -3.227 7.440 1.00 23.12 H new ATOM 0 HE3 LYS A 32 -11.142 -2.703 6.034 1.00 23.12 H new ATOM 0 HZ1 LYS A 32 -10.059 -3.216 8.418 1.00 54.13 H new ATOM 0 HZ2 LYS A 32 -9.361 -2.185 7.263 1.00 54.13 H new ATOM 0 HZ3 LYS A 32 -10.269 -1.536 8.542 1.00 54.13 H new ATOM 569 N ARG A 33 -8.488 3.674 7.120 1.00 3.44 N ATOM 570 CA ARG A 33 -7.242 4.403 7.482 1.00 43.10 C ATOM 571 C ARG A 33 -7.483 5.368 8.667 1.00 74.32 C ATOM 572 O ARG A 33 -8.601 5.874 8.853 1.00 33.24 O ATOM 573 CB ARG A 33 -6.706 5.219 6.259 1.00 13.22 C ATOM 574 CG ARG A 33 -6.136 4.399 5.069 1.00 24.43 C ATOM 575 CD ARG A 33 -4.738 3.782 5.328 1.00 44.02 C ATOM 576 NE ARG A 33 -4.759 2.634 6.256 1.00 5.42 N ATOM 577 CZ ARG A 33 -3.721 2.154 6.907 1.00 11.52 C ATOM 578 NH1 ARG A 33 -2.560 2.730 6.853 1.00 40.22 N ATOM 579 NH2 ARG A 33 -3.859 1.099 7.634 1.00 51.02 N ATOM 0 H ARG A 33 -9.335 4.220 7.275 1.00 3.44 H new ATOM 0 HA ARG A 33 -6.503 3.658 7.776 1.00 43.10 H new ATOM 0 HB2 ARG A 33 -7.517 5.843 5.884 1.00 13.22 H new ATOM 0 HB3 ARG A 33 -5.925 5.891 6.614 1.00 13.22 H new ATOM 0 HG2 ARG A 33 -6.834 3.598 4.828 1.00 24.43 H new ATOM 0 HG3 ARG A 33 -6.078 5.045 4.193 1.00 24.43 H new ATOM 0 HD2 ARG A 33 -4.310 3.462 4.378 1.00 44.02 H new ATOM 0 HD3 ARG A 33 -4.080 4.552 5.731 1.00 44.02 H new ATOM 0 HE ARG A 33 -5.656 2.173 6.406 1.00 5.42 H new ATOM 0 HH11 ARG A 33 -2.436 3.576 6.296 1.00 40.22 H new ATOM 0 HH12 ARG A 33 -1.771 2.337 7.367 1.00 40.22 H new ATOM 0 HH21 ARG A 33 -4.768 0.642 7.702 1.00 51.02 H new ATOM 0 HH22 ARG A 33 -3.059 0.721 8.141 1.00 51.02 H new ATOM 593 N GLY A 34 -6.414 5.627 9.436 1.00 4.34 N ATOM 594 CA GLY A 34 -6.435 6.600 10.537 1.00 23.12 C ATOM 595 C GLY A 34 -6.363 8.065 10.065 1.00 65.13 C ATOM 596 O GLY A 34 -6.972 8.949 10.683 1.00 62.51 O ATOM 0 H GLY A 34 -5.512 5.168 9.311 1.00 4.34 H new ATOM 0 HA2 GLY A 34 -7.346 6.459 11.119 1.00 23.12 H new ATOM 0 HA3 GLY A 34 -5.596 6.400 11.204 1.00 23.12 H new ATOM 600 N ILE A 35 -5.592 8.333 8.979 1.00 14.35 N ATOM 601 CA ILE A 35 -5.454 9.702 8.401 1.00 2.21 C ATOM 602 C ILE A 35 -5.828 9.738 6.898 1.00 52.12 C ATOM 603 O ILE A 35 -5.665 8.743 6.182 1.00 51.00 O ATOM 604 CB ILE A 35 -4.002 10.294 8.589 1.00 22.23 C ATOM 605 CG1 ILE A 35 -2.943 9.458 7.806 1.00 0.54 C ATOM 606 CG2 ILE A 35 -3.630 10.397 10.089 1.00 52.12 C ATOM 607 CD1 ILE A 35 -1.536 10.029 7.817 1.00 75.34 C ATOM 0 H ILE A 35 -5.055 7.621 8.484 1.00 14.35 H new ATOM 0 HA ILE A 35 -6.156 10.324 8.957 1.00 2.21 H new ATOM 0 HB ILE A 35 -4.002 11.302 8.174 1.00 22.23 H new ATOM 0 HG12 ILE A 35 -2.914 8.453 8.226 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -3.271 9.362 6.771 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.625 10.808 10.187 1.00 52.12 H new ATOM 0 HG22 ILE A 35 -4.340 11.050 10.596 1.00 52.12 H new ATOM 0 HG23 ILE A 35 -3.662 9.406 10.541 1.00 52.12 H new ATOM 0 HD11 ILE A 35 -0.874 9.377 7.247 1.00 75.34 H new ATOM 0 HD12 ILE A 35 -1.543 11.022 7.367 1.00 75.34 H new ATOM 0 HD13 ILE A 35 -1.180 10.098 8.845 1.00 75.34 H new ATOM 619 N LEU A 36 -6.305 10.916 6.439 1.00 32.13 N ATOM 620 CA LEU A 36 -6.706 11.157 5.032 1.00 70.22 C ATOM 621 C LEU A 36 -5.489 11.249 4.081 1.00 13.24 C ATOM 622 O LEU A 36 -5.622 10.986 2.889 1.00 33.20 O ATOM 623 CB LEU A 36 -7.596 12.434 4.897 1.00 54.50 C ATOM 624 CG LEU A 36 -9.025 12.381 5.542 1.00 44.35 C ATOM 625 CD1 LEU A 36 -9.816 11.138 5.069 1.00 1.55 C ATOM 626 CD2 LEU A 36 -8.978 12.484 7.083 1.00 45.21 C ATOM 0 H LEU A 36 -6.424 11.733 7.038 1.00 32.13 H new ATOM 0 HA LEU A 36 -7.297 10.291 4.732 1.00 70.22 H new ATOM 0 HB2 LEU A 36 -7.056 13.271 5.340 1.00 54.50 H new ATOM 0 HB3 LEU A 36 -7.712 12.655 3.836 1.00 54.50 H new ATOM 0 HG LEU A 36 -9.564 13.261 5.191 1.00 44.35 H new ATOM 0 HD11 LEU A 36 -10.801 11.134 5.536 1.00 1.55 H new ATOM 0 HD12 LEU A 36 -9.928 11.169 3.985 1.00 1.55 H new ATOM 0 HD13 LEU A 36 -9.277 10.234 5.352 1.00 1.55 H new ATOM 0 HD21 LEU A 36 -9.992 12.443 7.482 1.00 45.21 H new ATOM 0 HD22 LEU A 36 -8.396 11.655 7.485 1.00 45.21 H new ATOM 0 HD23 LEU A 36 -8.513 13.427 7.371 1.00 45.21 H new ATOM 638 N GLU A 37 -4.314 11.624 4.610 1.00 33.23 N ATOM 639 CA GLU A 37 -3.062 11.706 3.811 1.00 12.15 C ATOM 640 C GLU A 37 -2.640 10.318 3.258 1.00 41.24 C ATOM 641 O GLU A 37 -2.388 10.159 2.055 1.00 34.14 O ATOM 642 CB GLU A 37 -1.927 12.321 4.669 1.00 23.21 C ATOM 643 CG GLU A 37 -2.157 13.789 5.078 1.00 15.01 C ATOM 644 CD GLU A 37 -2.166 14.753 3.876 1.00 35.21 C ATOM 645 OE1 GLU A 37 -1.071 15.133 3.407 1.00 44.22 O ATOM 646 OE2 GLU A 37 -3.258 15.128 3.389 1.00 33.22 O ATOM 0 H GLU A 37 -4.196 11.878 5.591 1.00 33.23 H new ATOM 0 HA GLU A 37 -3.252 12.351 2.953 1.00 12.15 H new ATOM 0 HB2 GLU A 37 -1.805 11.721 5.571 1.00 23.21 H new ATOM 0 HB3 GLU A 37 -0.992 12.254 4.113 1.00 23.21 H new ATOM 0 HG2 GLU A 37 -3.106 13.869 5.608 1.00 15.01 H new ATOM 0 HG3 GLU A 37 -1.376 14.093 5.775 1.00 15.01 H new ATOM 653 N THR A 38 -2.574 9.319 4.159 1.00 54.53 N ATOM 654 CA THR A 38 -2.290 7.908 3.792 1.00 15.43 C ATOM 655 C THR A 38 -3.503 7.257 3.087 1.00 31.11 C ATOM 656 O THR A 38 -3.335 6.347 2.272 1.00 51.24 O ATOM 657 CB THR A 38 -1.875 7.066 5.043 1.00 31.02 C ATOM 658 OG1 THR A 38 -0.797 7.731 5.716 1.00 51.25 O ATOM 659 CG2 THR A 38 -1.426 5.638 4.680 1.00 34.24 C ATOM 0 H THR A 38 -2.715 9.461 5.159 1.00 54.53 H new ATOM 0 HA THR A 38 -1.452 7.919 3.095 1.00 15.43 H new ATOM 0 HB THR A 38 -2.753 6.981 5.683 1.00 31.02 H new ATOM 0 HG1 THR A 38 -0.166 7.065 6.061 1.00 51.25 H new ATOM 0 HG21 THR A 38 -1.150 5.101 5.588 1.00 34.24 H new ATOM 0 HG22 THR A 38 -2.243 5.115 4.183 1.00 34.24 H new ATOM 0 HG23 THR A 38 -0.566 5.686 4.011 1.00 34.24 H new ATOM 667 N ASP A 39 -4.725 7.719 3.431 1.00 22.12 N ATOM 668 CA ASP A 39 -5.975 7.266 2.773 1.00 55.52 C ATOM 669 C ASP A 39 -5.962 7.553 1.251 1.00 33.32 C ATOM 670 O ASP A 39 -6.141 6.645 0.464 1.00 43.31 O ATOM 671 CB ASP A 39 -7.210 7.918 3.444 1.00 50.02 C ATOM 672 CG ASP A 39 -8.544 7.480 2.821 1.00 73.23 C ATOM 673 OD1 ASP A 39 -8.962 6.324 3.063 1.00 43.23 O ATOM 674 OD2 ASP A 39 -9.169 8.278 2.074 1.00 73.43 O ATOM 0 H ASP A 39 -4.875 8.410 4.166 1.00 22.12 H new ATOM 0 HA ASP A 39 -6.039 6.185 2.899 1.00 55.52 H new ATOM 0 HB2 ASP A 39 -7.213 7.667 4.505 1.00 50.02 H new ATOM 0 HB3 ASP A 39 -7.123 9.002 3.373 1.00 50.02 H new ATOM 679 N LEU A 40 -5.729 8.819 0.862 1.00 24.40 N ATOM 680 CA LEU A 40 -5.659 9.243 -0.564 1.00 14.14 C ATOM 681 C LEU A 40 -4.489 8.552 -1.311 1.00 34.24 C ATOM 682 O LEU A 40 -4.620 8.171 -2.485 1.00 4.03 O ATOM 683 CB LEU A 40 -5.514 10.788 -0.659 1.00 23.32 C ATOM 684 CG LEU A 40 -6.696 11.628 -0.073 1.00 22.34 C ATOM 685 CD1 LEU A 40 -6.392 13.140 -0.134 1.00 11.00 C ATOM 686 CD2 LEU A 40 -8.031 11.292 -0.778 1.00 10.21 C ATOM 0 H LEU A 40 -5.583 9.584 1.521 1.00 24.40 H new ATOM 0 HA LEU A 40 -6.588 8.937 -1.045 1.00 14.14 H new ATOM 0 HB2 LEU A 40 -4.598 11.079 -0.144 1.00 23.32 H new ATOM 0 HB3 LEU A 40 -5.389 11.057 -1.708 1.00 23.32 H new ATOM 0 HG LEU A 40 -6.804 11.356 0.977 1.00 22.34 H new ATOM 0 HD11 LEU A 40 -7.232 13.697 0.280 1.00 11.00 H new ATOM 0 HD12 LEU A 40 -5.494 13.354 0.445 1.00 11.00 H new ATOM 0 HD13 LEU A 40 -6.235 13.438 -1.171 1.00 11.00 H new ATOM 0 HD21 LEU A 40 -8.832 11.893 -0.347 1.00 10.21 H new ATOM 0 HD22 LEU A 40 -7.946 11.511 -1.842 1.00 10.21 H new ATOM 0 HD23 LEU A 40 -8.258 10.235 -0.642 1.00 10.21 H new ATOM 698 N LEU A 41 -3.354 8.399 -0.600 1.00 53.34 N ATOM 699 CA LEU A 41 -2.148 7.706 -1.111 1.00 21.34 C ATOM 700 C LEU A 41 -2.450 6.228 -1.483 1.00 45.31 C ATOM 701 O LEU A 41 -2.330 5.831 -2.642 1.00 13.10 O ATOM 702 CB LEU A 41 -1.027 7.778 -0.034 1.00 4.23 C ATOM 703 CG LEU A 41 0.334 7.084 -0.370 1.00 12.14 C ATOM 704 CD1 LEU A 41 1.003 7.709 -1.618 1.00 4.23 C ATOM 705 CD2 LEU A 41 1.276 7.112 0.856 1.00 73.24 C ATOM 0 H LEU A 41 -3.245 8.754 0.350 1.00 53.34 H new ATOM 0 HA LEU A 41 -1.819 8.206 -2.022 1.00 21.34 H new ATOM 0 HB2 LEU A 41 -0.827 8.829 0.176 1.00 4.23 H new ATOM 0 HB3 LEU A 41 -1.413 7.337 0.885 1.00 4.23 H new ATOM 0 HG LEU A 41 0.128 6.042 -0.612 1.00 12.14 H new ATOM 0 HD11 LEU A 41 1.946 7.200 -1.819 1.00 4.23 H new ATOM 0 HD12 LEU A 41 0.342 7.601 -2.478 1.00 4.23 H new ATOM 0 HD13 LEU A 41 1.193 8.767 -1.437 1.00 4.23 H new ATOM 0 HD21 LEU A 41 2.217 6.625 0.603 1.00 73.24 H new ATOM 0 HD22 LEU A 41 1.468 8.146 1.144 1.00 73.24 H new ATOM 0 HD23 LEU A 41 0.807 6.585 1.687 1.00 73.24 H new ATOM 717 N LEU A 42 -2.902 5.447 -0.493 1.00 13.44 N ATOM 718 CA LEU A 42 -3.164 4.004 -0.658 1.00 33.33 C ATOM 719 C LEU A 42 -4.459 3.713 -1.451 1.00 64.32 C ATOM 720 O LEU A 42 -4.559 2.666 -2.058 1.00 45.51 O ATOM 721 CB LEU A 42 -3.195 3.296 0.724 1.00 41.14 C ATOM 722 CG LEU A 42 -1.830 3.201 1.477 1.00 31.41 C ATOM 723 CD1 LEU A 42 -1.991 2.458 2.822 1.00 44.41 C ATOM 724 CD2 LEU A 42 -0.746 2.539 0.592 1.00 3.03 C ATOM 0 H LEU A 42 -3.097 5.794 0.446 1.00 13.44 H new ATOM 0 HA LEU A 42 -2.342 3.601 -1.249 1.00 33.33 H new ATOM 0 HB2 LEU A 42 -3.904 3.822 1.363 1.00 41.14 H new ATOM 0 HB3 LEU A 42 -3.581 2.286 0.584 1.00 41.14 H new ATOM 0 HG LEU A 42 -1.497 4.216 1.696 1.00 31.41 H new ATOM 0 HD11 LEU A 42 -1.026 2.405 3.326 1.00 44.41 H new ATOM 0 HD12 LEU A 42 -2.701 2.995 3.451 1.00 44.41 H new ATOM 0 HD13 LEU A 42 -2.360 1.449 2.638 1.00 44.41 H new ATOM 0 HD21 LEU A 42 0.193 2.487 1.144 1.00 3.03 H new ATOM 0 HD22 LEU A 42 -1.063 1.532 0.320 1.00 3.03 H new ATOM 0 HD23 LEU A 42 -0.603 3.131 -0.312 1.00 3.03 H new ATOM 736 N SER A 43 -5.444 4.628 -1.434 1.00 60.34 N ATOM 737 CA SER A 43 -6.710 4.476 -2.224 1.00 41.11 C ATOM 738 C SER A 43 -6.436 4.493 -3.739 1.00 62.41 C ATOM 739 O SER A 43 -6.929 3.632 -4.480 1.00 15.22 O ATOM 740 CB SER A 43 -7.719 5.597 -1.882 1.00 22.42 C ATOM 741 OG SER A 43 -8.901 5.516 -2.669 1.00 74.04 O ATOM 0 H SER A 43 -5.401 5.487 -0.885 1.00 60.34 H new ATOM 0 HA SER A 43 -7.136 3.510 -1.952 1.00 41.11 H new ATOM 0 HB2 SER A 43 -7.983 5.536 -0.826 1.00 22.42 H new ATOM 0 HB3 SER A 43 -7.247 6.567 -2.037 1.00 22.42 H new ATOM 0 HG SER A 43 -9.511 6.241 -2.419 1.00 74.04 H new ATOM 747 N GLY A 44 -5.643 5.490 -4.175 1.00 12.34 N ATOM 748 CA GLY A 44 -5.225 5.604 -5.577 1.00 11.22 C ATOM 749 C GLY A 44 -4.243 4.501 -5.995 1.00 52.54 C ATOM 750 O GLY A 44 -4.330 3.972 -7.108 1.00 4.41 O ATOM 0 H GLY A 44 -5.280 6.228 -3.571 1.00 12.34 H new ATOM 0 HA2 GLY A 44 -6.105 5.563 -6.219 1.00 11.22 H new ATOM 0 HA3 GLY A 44 -4.760 6.577 -5.735 1.00 11.22 H new ATOM 754 N PHE A 45 -3.303 4.173 -5.085 1.00 34.22 N ATOM 755 CA PHE A 45 -2.304 3.098 -5.283 1.00 43.22 C ATOM 756 C PHE A 45 -2.978 1.714 -5.437 1.00 12.35 C ATOM 757 O PHE A 45 -2.670 0.967 -6.354 1.00 1.40 O ATOM 758 CB PHE A 45 -1.312 3.086 -4.088 1.00 30.41 C ATOM 759 CG PHE A 45 -0.137 2.122 -4.246 1.00 25.12 C ATOM 760 CD1 PHE A 45 0.994 2.489 -4.971 1.00 53.34 C ATOM 761 CD2 PHE A 45 -0.160 0.852 -3.675 1.00 53.13 C ATOM 762 CE1 PHE A 45 2.050 1.615 -5.125 1.00 14.32 C ATOM 763 CE2 PHE A 45 0.899 -0.018 -3.829 1.00 44.25 C ATOM 764 CZ PHE A 45 2.007 0.365 -4.552 1.00 52.41 C ATOM 0 H PHE A 45 -3.214 4.648 -4.187 1.00 34.22 H new ATOM 0 HA PHE A 45 -1.762 3.301 -6.207 1.00 43.22 H new ATOM 0 HB2 PHE A 45 -0.922 4.094 -3.947 1.00 30.41 H new ATOM 0 HB3 PHE A 45 -1.859 2.826 -3.182 1.00 30.41 H new ATOM 0 HD1 PHE A 45 1.045 3.471 -5.418 1.00 53.34 H new ATOM 0 HD2 PHE A 45 -1.022 0.543 -3.102 1.00 53.13 H new ATOM 0 HE1 PHE A 45 2.915 1.914 -5.698 1.00 14.32 H new ATOM 0 HE2 PHE A 45 0.859 -1.000 -3.382 1.00 44.25 H new ATOM 0 HZ PHE A 45 2.839 -0.314 -4.669 1.00 52.41 H new ATOM 774 N ALA A 46 -3.906 1.404 -4.528 1.00 44.11 N ATOM 775 CA ALA A 46 -4.601 0.100 -4.489 1.00 42.41 C ATOM 776 C ALA A 46 -5.496 -0.114 -5.717 1.00 41.34 C ATOM 777 O ALA A 46 -5.425 -1.157 -6.377 1.00 42.23 O ATOM 778 CB ALA A 46 -5.430 -0.029 -3.209 1.00 1.43 C ATOM 0 H ALA A 46 -4.202 2.047 -3.794 1.00 44.11 H new ATOM 0 HA ALA A 46 -3.832 -0.673 -4.500 1.00 42.41 H new ATOM 0 HB1 ALA A 46 -5.934 -0.995 -3.198 1.00 1.43 H new ATOM 0 HB2 ALA A 46 -4.774 0.048 -2.342 1.00 1.43 H new ATOM 0 HB3 ALA A 46 -6.173 0.768 -3.175 1.00 1.43 H new ATOM 784 N ALA A 47 -6.314 0.907 -6.028 1.00 42.41 N ATOM 785 CA ALA A 47 -7.253 0.874 -7.173 1.00 44.32 C ATOM 786 C ALA A 47 -6.523 0.717 -8.530 1.00 33.50 C ATOM 787 O ALA A 47 -7.110 0.237 -9.487 1.00 65.32 O ATOM 788 CB ALA A 47 -8.119 2.140 -7.180 1.00 2.22 C ATOM 0 H ALA A 47 -6.346 1.777 -5.497 1.00 42.41 H new ATOM 0 HA ALA A 47 -7.888 -0.003 -7.047 1.00 44.32 H new ATOM 0 HB1 ALA A 47 -8.806 2.106 -8.026 1.00 2.22 H new ATOM 0 HB2 ALA A 47 -8.688 2.197 -6.252 1.00 2.22 H new ATOM 0 HB3 ALA A 47 -7.479 3.018 -7.267 1.00 2.22 H new ATOM 794 N LYS A 48 -5.248 1.146 -8.583 1.00 71.15 N ATOM 795 CA LYS A 48 -4.408 1.099 -9.802 1.00 75.22 C ATOM 796 C LYS A 48 -3.593 -0.222 -9.913 1.00 23.31 C ATOM 797 O LYS A 48 -3.666 -0.943 -10.916 1.00 71.51 O ATOM 798 CB LYS A 48 -3.447 2.312 -9.766 1.00 34.21 C ATOM 799 CG LYS A 48 -2.538 2.479 -11.005 1.00 61.11 C ATOM 800 CD LYS A 48 -1.582 3.689 -10.875 1.00 24.12 C ATOM 801 CE LYS A 48 -2.310 5.014 -10.619 1.00 54.33 C ATOM 802 NZ LYS A 48 -3.277 5.353 -11.690 1.00 14.10 N ATOM 0 H LYS A 48 -4.765 1.539 -7.775 1.00 71.15 H new ATOM 0 HA LYS A 48 -5.059 1.137 -10.676 1.00 75.22 H new ATOM 0 HB2 LYS A 48 -4.040 3.219 -9.647 1.00 34.21 H new ATOM 0 HB3 LYS A 48 -2.815 2.226 -8.882 1.00 34.21 H new ATOM 0 HG2 LYS A 48 -1.953 1.571 -11.148 1.00 61.11 H new ATOM 0 HG3 LYS A 48 -3.158 2.602 -11.893 1.00 61.11 H new ATOM 0 HD2 LYS A 48 -0.882 3.504 -10.060 1.00 24.12 H new ATOM 0 HD3 LYS A 48 -0.993 3.777 -11.788 1.00 24.12 H new ATOM 0 HE2 LYS A 48 -2.836 4.957 -9.666 1.00 54.33 H new ATOM 0 HE3 LYS A 48 -1.576 5.815 -10.531 1.00 54.33 H new ATOM 0 HZ1 LYS A 48 -3.728 6.265 -11.475 1.00 14.10 H new ATOM 0 HZ2 LYS A 48 -2.778 5.419 -12.600 1.00 14.10 H new ATOM 0 HZ3 LYS A 48 -4.005 4.612 -11.748 1.00 14.10 H new ATOM 816 N TYR A 49 -2.818 -0.516 -8.859 1.00 53.01 N ATOM 817 CA TYR A 49 -1.789 -1.578 -8.852 1.00 74.11 C ATOM 818 C TYR A 49 -2.376 -2.988 -8.638 1.00 72.21 C ATOM 819 O TYR A 49 -1.880 -3.942 -9.229 1.00 5.41 O ATOM 820 CB TYR A 49 -0.706 -1.273 -7.777 1.00 13.54 C ATOM 821 CG TYR A 49 0.279 -0.150 -8.156 1.00 32.33 C ATOM 822 CD1 TYR A 49 -0.130 1.184 -8.224 1.00 2.55 C ATOM 823 CD2 TYR A 49 1.621 -0.427 -8.435 1.00 62.15 C ATOM 824 CE1 TYR A 49 0.753 2.191 -8.555 1.00 72.54 C ATOM 825 CE2 TYR A 49 2.505 0.581 -8.767 1.00 45.22 C ATOM 826 CZ TYR A 49 2.065 1.887 -8.827 1.00 72.43 C ATOM 827 OH TYR A 49 2.940 2.894 -9.160 1.00 34.30 O ATOM 0 H TYR A 49 -2.886 -0.018 -7.972 1.00 53.01 H new ATOM 0 HA TYR A 49 -1.332 -1.578 -9.842 1.00 74.11 H new ATOM 0 HB2 TYR A 49 -1.204 -1.002 -6.846 1.00 13.54 H new ATOM 0 HB3 TYR A 49 -0.140 -2.184 -7.582 1.00 13.54 H new ATOM 0 HD1 TYR A 49 -1.160 1.432 -8.013 1.00 2.55 H new ATOM 0 HD2 TYR A 49 1.972 -1.447 -8.390 1.00 62.15 H new ATOM 0 HE1 TYR A 49 0.414 3.215 -8.600 1.00 72.54 H new ATOM 0 HE2 TYR A 49 3.538 0.347 -8.979 1.00 45.22 H new ATOM 0 HH TYR A 49 3.829 2.515 -9.321 1.00 34.30 H new ATOM 837 N LEU A 50 -3.424 -3.131 -7.804 1.00 52.34 N ATOM 838 CA LEU A 50 -4.036 -4.466 -7.542 1.00 22.50 C ATOM 839 C LEU A 50 -4.681 -5.084 -8.801 1.00 20.21 C ATOM 840 O LEU A 50 -4.852 -6.299 -8.865 1.00 51.30 O ATOM 841 CB LEU A 50 -5.045 -4.442 -6.359 1.00 71.01 C ATOM 842 CG LEU A 50 -4.418 -4.641 -4.941 1.00 22.34 C ATOM 843 CD1 LEU A 50 -3.632 -3.420 -4.453 1.00 15.10 C ATOM 844 CD2 LEU A 50 -5.470 -5.072 -3.921 1.00 51.41 C ATOM 0 H LEU A 50 -3.865 -2.359 -7.304 1.00 52.34 H new ATOM 0 HA LEU A 50 -3.207 -5.110 -7.251 1.00 22.50 H new ATOM 0 HB2 LEU A 50 -5.574 -3.489 -6.374 1.00 71.01 H new ATOM 0 HB3 LEU A 50 -5.789 -5.222 -6.522 1.00 71.01 H new ATOM 0 HG LEU A 50 -3.693 -5.449 -5.041 1.00 22.34 H new ATOM 0 HD11 LEU A 50 -3.223 -3.623 -3.463 1.00 15.10 H new ATOM 0 HD12 LEU A 50 -2.818 -3.210 -5.147 1.00 15.10 H new ATOM 0 HD13 LEU A 50 -4.296 -2.557 -4.401 1.00 15.10 H new ATOM 0 HD21 LEU A 50 -5.000 -5.201 -2.946 1.00 51.41 H new ATOM 0 HD22 LEU A 50 -6.244 -4.308 -3.852 1.00 51.41 H new ATOM 0 HD23 LEU A 50 -5.917 -6.015 -4.236 1.00 51.41 H new ATOM 856 N LYS A 51 -5.034 -4.246 -9.785 1.00 43.52 N ATOM 857 CA LYS A 51 -5.521 -4.716 -11.101 1.00 12.12 C ATOM 858 C LYS A 51 -4.402 -5.455 -11.891 1.00 14.33 C ATOM 859 O LYS A 51 -4.637 -6.520 -12.467 1.00 44.21 O ATOM 860 CB LYS A 51 -6.050 -3.514 -11.924 1.00 74.11 C ATOM 861 CG LYS A 51 -7.274 -2.800 -11.308 1.00 1.43 C ATOM 862 CD LYS A 51 -7.793 -1.632 -12.185 1.00 10.42 C ATOM 863 CE LYS A 51 -6.728 -0.546 -12.434 1.00 32.53 C ATOM 864 NZ LYS A 51 -7.281 0.652 -13.118 1.00 73.32 N ATOM 0 H LYS A 51 -4.993 -3.230 -9.699 1.00 43.52 H new ATOM 0 HA LYS A 51 -6.331 -5.425 -10.930 1.00 12.12 H new ATOM 0 HB2 LYS A 51 -5.245 -2.789 -12.042 1.00 74.11 H new ATOM 0 HB3 LYS A 51 -6.314 -3.863 -12.922 1.00 74.11 H new ATOM 0 HG2 LYS A 51 -8.076 -3.524 -11.163 1.00 1.43 H new ATOM 0 HG3 LYS A 51 -7.008 -2.418 -10.323 1.00 1.43 H new ATOM 0 HD2 LYS A 51 -8.132 -2.027 -13.143 1.00 10.42 H new ATOM 0 HD3 LYS A 51 -8.659 -1.180 -11.702 1.00 10.42 H new ATOM 0 HE2 LYS A 51 -6.291 -0.246 -11.482 1.00 32.53 H new ATOM 0 HE3 LYS A 51 -5.922 -0.964 -13.037 1.00 32.53 H new ATOM 0 HZ1 LYS A 51 -6.524 1.350 -13.261 1.00 73.32 H new ATOM 0 HZ2 LYS A 51 -7.675 0.375 -14.040 1.00 73.32 H new ATOM 0 HZ3 LYS A 51 -8.032 1.070 -12.532 1.00 73.32 H new ATOM 878 N LYS A 52 -3.177 -4.884 -11.889 1.00 62.50 N ATOM 879 CA LYS A 52 -2.031 -5.422 -12.671 1.00 12.05 C ATOM 880 C LYS A 52 -1.204 -6.481 -11.887 1.00 31.32 C ATOM 881 O LYS A 52 -0.527 -7.318 -12.499 1.00 23.53 O ATOM 882 CB LYS A 52 -1.117 -4.263 -13.140 1.00 41.03 C ATOM 883 CG LYS A 52 -0.404 -3.489 -12.009 1.00 73.43 C ATOM 884 CD LYS A 52 0.604 -2.457 -12.543 1.00 12.34 C ATOM 885 CE LYS A 52 -0.058 -1.287 -13.296 1.00 35.11 C ATOM 886 NZ LYS A 52 0.952 -0.337 -13.817 1.00 13.00 N ATOM 0 H LYS A 52 -2.951 -4.046 -11.353 1.00 62.50 H new ATOM 0 HA LYS A 52 -2.450 -5.934 -13.537 1.00 12.05 H new ATOM 0 HB2 LYS A 52 -0.362 -4.667 -13.814 1.00 41.03 H new ATOM 0 HB3 LYS A 52 -1.717 -3.560 -13.718 1.00 41.03 H new ATOM 0 HG2 LYS A 52 -1.148 -2.981 -11.396 1.00 73.43 H new ATOM 0 HG3 LYS A 52 0.114 -4.196 -11.361 1.00 73.43 H new ATOM 0 HD2 LYS A 52 1.183 -2.061 -11.709 1.00 12.34 H new ATOM 0 HD3 LYS A 52 1.306 -2.957 -13.210 1.00 12.34 H new ATOM 0 HE2 LYS A 52 -0.654 -1.675 -14.122 1.00 35.11 H new ATOM 0 HE3 LYS A 52 -0.742 -0.763 -12.628 1.00 35.11 H new ATOM 0 HZ1 LYS A 52 0.473 0.438 -14.318 1.00 13.00 H new ATOM 0 HZ2 LYS A 52 1.504 0.051 -13.026 1.00 13.00 H new ATOM 0 HZ3 LYS A 52 1.589 -0.833 -14.473 1.00 13.00 H new ATOM 900 N MET A 53 -1.253 -6.438 -10.540 1.00 64.23 N ATOM 901 CA MET A 53 -0.410 -7.310 -9.676 1.00 64.31 C ATOM 902 C MET A 53 -1.006 -8.728 -9.479 1.00 35.41 C ATOM 903 O MET A 53 -2.223 -8.901 -9.356 1.00 43.21 O ATOM 904 CB MET A 53 -0.149 -6.651 -8.287 1.00 53.55 C ATOM 905 CG MET A 53 0.868 -5.498 -8.302 1.00 72.13 C ATOM 906 SD MET A 53 1.377 -4.961 -6.646 1.00 25.40 S ATOM 907 CE MET A 53 -0.172 -4.487 -5.884 1.00 13.14 C ATOM 0 H MET A 53 -1.866 -5.810 -10.020 1.00 64.23 H new ATOM 0 HA MET A 53 0.536 -7.423 -10.205 1.00 64.31 H new ATOM 0 HB2 MET A 53 -1.095 -6.278 -7.894 1.00 53.55 H new ATOM 0 HB3 MET A 53 0.202 -7.418 -7.597 1.00 53.55 H new ATOM 0 HG2 MET A 53 1.750 -5.809 -8.861 1.00 72.13 H new ATOM 0 HG3 MET A 53 0.436 -4.650 -8.834 1.00 72.13 H new ATOM 0 HE1 MET A 53 -0.038 -3.554 -5.336 1.00 13.14 H new ATOM 0 HE2 MET A 53 -0.930 -4.349 -6.655 1.00 13.14 H new ATOM 0 HE3 MET A 53 -0.493 -5.269 -5.196 1.00 13.14 H new ATOM 917 N ASN A 54 -0.100 -9.725 -9.426 1.00 12.35 N ATOM 918 CA ASN A 54 -0.423 -11.140 -9.103 1.00 22.15 C ATOM 919 C ASN A 54 -0.635 -11.297 -7.577 1.00 73.40 C ATOM 920 O ASN A 54 -0.213 -10.428 -6.814 1.00 30.21 O ATOM 921 CB ASN A 54 0.729 -12.056 -9.607 1.00 31.11 C ATOM 922 CG ASN A 54 0.483 -13.553 -9.415 1.00 31.10 C ATOM 923 OD1 ASN A 54 0.828 -14.127 -8.390 1.00 53.01 O ATOM 924 ND2 ASN A 54 -0.126 -14.195 -10.391 1.00 14.52 N ATOM 0 H ASN A 54 0.892 -9.574 -9.608 1.00 12.35 H new ATOM 0 HA ASN A 54 -1.346 -11.434 -9.603 1.00 22.15 H new ATOM 0 HB2 ASN A 54 0.893 -11.861 -10.667 1.00 31.11 H new ATOM 0 HB3 ASN A 54 1.647 -11.782 -9.087 1.00 31.11 H new ATOM 0 HD21 ASN A 54 -0.320 -15.192 -10.302 1.00 14.52 H new ATOM 0 HD22 ASN A 54 -0.404 -13.695 -11.235 1.00 14.52 H new ATOM 931 N GLU A 55 -1.253 -12.421 -7.141 1.00 52.15 N ATOM 932 CA GLU A 55 -1.576 -12.664 -5.717 1.00 64.35 C ATOM 933 C GLU A 55 -0.324 -12.564 -4.798 1.00 74.52 C ATOM 934 O GLU A 55 -0.422 -12.080 -3.677 1.00 51.32 O ATOM 935 CB GLU A 55 -2.275 -14.036 -5.531 1.00 22.42 C ATOM 936 CG GLU A 55 -2.624 -14.351 -4.067 1.00 55.23 C ATOM 937 CD GLU A 55 -3.365 -15.676 -3.858 1.00 64.21 C ATOM 938 OE1 GLU A 55 -2.799 -16.738 -4.188 1.00 21.22 O ATOM 939 OE2 GLU A 55 -4.501 -15.664 -3.329 1.00 50.44 O ATOM 0 H GLU A 55 -1.539 -13.178 -7.762 1.00 52.15 H new ATOM 0 HA GLU A 55 -2.264 -11.875 -5.414 1.00 64.35 H new ATOM 0 HB2 GLU A 55 -3.188 -14.054 -6.126 1.00 22.42 H new ATOM 0 HB3 GLU A 55 -1.626 -14.821 -5.919 1.00 22.42 H new ATOM 0 HG2 GLU A 55 -1.703 -14.369 -3.484 1.00 55.23 H new ATOM 0 HG3 GLU A 55 -3.237 -13.541 -3.671 1.00 55.23 H new ATOM 946 N GLU A 56 0.843 -12.999 -5.309 1.00 51.34 N ATOM 947 CA GLU A 56 2.149 -12.896 -4.596 1.00 25.42 C ATOM 948 C GLU A 56 2.471 -11.424 -4.214 1.00 21.41 C ATOM 949 O GLU A 56 2.816 -11.121 -3.064 1.00 72.45 O ATOM 950 CB GLU A 56 3.271 -13.479 -5.500 1.00 65.20 C ATOM 951 CG GLU A 56 3.017 -14.923 -5.969 1.00 1.13 C ATOM 952 CD GLU A 56 4.056 -15.419 -6.989 1.00 72.40 C ATOM 953 OE1 GLU A 56 4.109 -14.858 -8.107 1.00 33.03 O ATOM 954 OE2 GLU A 56 4.809 -16.372 -6.692 1.00 65.34 O ATOM 0 H GLU A 56 0.917 -13.434 -6.229 1.00 51.34 H new ATOM 0 HA GLU A 56 2.088 -13.468 -3.670 1.00 25.42 H new ATOM 0 HB2 GLU A 56 3.386 -12.840 -6.375 1.00 65.20 H new ATOM 0 HB3 GLU A 56 4.215 -13.446 -4.955 1.00 65.20 H new ATOM 0 HG2 GLU A 56 3.022 -15.586 -5.104 1.00 1.13 H new ATOM 0 HG3 GLU A 56 2.023 -14.985 -6.413 1.00 1.13 H new ATOM 961 N GLU A 57 2.331 -10.521 -5.204 1.00 21.43 N ATOM 962 CA GLU A 57 2.487 -9.059 -5.012 1.00 14.52 C ATOM 963 C GLU A 57 1.387 -8.481 -4.081 1.00 40.31 C ATOM 964 O GLU A 57 1.640 -7.566 -3.297 1.00 14.12 O ATOM 965 CB GLU A 57 2.434 -8.349 -6.386 1.00 60.01 C ATOM 966 CG GLU A 57 3.567 -8.718 -7.360 1.00 4.44 C ATOM 967 CD GLU A 57 4.945 -8.248 -6.871 1.00 63.32 C ATOM 968 OE1 GLU A 57 5.260 -7.042 -7.014 1.00 32.51 O ATOM 969 OE2 GLU A 57 5.719 -9.070 -6.339 1.00 53.32 O ATOM 0 H GLU A 57 2.106 -10.782 -6.164 1.00 21.43 H new ATOM 0 HA GLU A 57 3.452 -8.883 -4.537 1.00 14.52 H new ATOM 0 HB2 GLU A 57 1.480 -8.580 -6.860 1.00 60.01 H new ATOM 0 HB3 GLU A 57 2.455 -7.272 -6.221 1.00 60.01 H new ATOM 0 HG2 GLU A 57 3.584 -9.799 -7.498 1.00 4.44 H new ATOM 0 HG3 GLU A 57 3.361 -8.275 -8.335 1.00 4.44 H new ATOM 976 N LEU A 58 0.154 -9.010 -4.222 1.00 53.15 N ATOM 977 CA LEU A 58 -0.994 -8.683 -3.328 1.00 62.14 C ATOM 978 C LEU A 58 -0.740 -9.106 -1.852 1.00 54.12 C ATOM 979 O LEU A 58 -1.301 -8.509 -0.933 1.00 40.25 O ATOM 980 CB LEU A 58 -2.316 -9.344 -3.828 1.00 41.32 C ATOM 981 CG LEU A 58 -2.738 -9.075 -5.311 1.00 2.05 C ATOM 982 CD1 LEU A 58 -4.172 -9.569 -5.588 1.00 72.32 C ATOM 983 CD2 LEU A 58 -2.567 -7.603 -5.707 1.00 11.44 C ATOM 0 H LEU A 58 -0.082 -9.677 -4.957 1.00 53.15 H new ATOM 0 HA LEU A 58 -1.096 -7.598 -3.362 1.00 62.14 H new ATOM 0 HB2 LEU A 58 -2.226 -10.422 -3.693 1.00 41.32 H new ATOM 0 HB3 LEU A 58 -3.126 -9.009 -3.181 1.00 41.32 H new ATOM 0 HG LEU A 58 -2.060 -9.652 -5.940 1.00 2.05 H new ATOM 0 HD11 LEU A 58 -4.432 -9.366 -6.627 1.00 72.32 H new ATOM 0 HD12 LEU A 58 -4.230 -10.641 -5.402 1.00 72.32 H new ATOM 0 HD13 LEU A 58 -4.869 -9.049 -4.931 1.00 72.32 H new ATOM 0 HD21 LEU A 58 -2.873 -7.467 -6.744 1.00 11.44 H new ATOM 0 HD22 LEU A 58 -3.185 -6.979 -5.062 1.00 11.44 H new ATOM 0 HD23 LEU A 58 -1.521 -7.316 -5.596 1.00 11.44 H new ATOM 995 N GLU A 59 0.072 -10.162 -1.641 1.00 13.21 N ATOM 996 CA GLU A 59 0.480 -10.624 -0.289 1.00 64.35 C ATOM 997 C GLU A 59 1.577 -9.723 0.312 1.00 32.43 C ATOM 998 O GLU A 59 1.640 -9.537 1.533 1.00 40.14 O ATOM 999 CB GLU A 59 0.939 -12.104 -0.349 1.00 23.22 C ATOM 1000 CG GLU A 59 -0.175 -13.113 -0.724 1.00 14.33 C ATOM 1001 CD GLU A 59 -1.263 -13.278 0.355 1.00 61.23 C ATOM 1002 OE1 GLU A 59 -2.089 -12.358 0.549 1.00 21.52 O ATOM 1003 OE2 GLU A 59 -1.316 -14.334 1.008 1.00 55.10 O ATOM 0 H GLU A 59 0.465 -10.721 -2.398 1.00 13.21 H new ATOM 0 HA GLU A 59 -0.385 -10.554 0.370 1.00 64.35 H new ATOM 0 HB2 GLU A 59 1.748 -12.190 -1.075 1.00 23.22 H new ATOM 0 HB3 GLU A 59 1.351 -12.382 0.621 1.00 23.22 H new ATOM 0 HG2 GLU A 59 -0.645 -12.790 -1.653 1.00 14.33 H new ATOM 0 HG3 GLU A 59 0.280 -14.084 -0.918 1.00 14.33 H new ATOM 1010 N GLU A 60 2.434 -9.162 -0.555 1.00 54.24 N ATOM 1011 CA GLU A 60 3.361 -8.088 -0.161 1.00 40.44 C ATOM 1012 C GLU A 60 2.559 -6.809 0.196 1.00 62.04 C ATOM 1013 O GLU A 60 2.913 -6.069 1.121 1.00 14.23 O ATOM 1014 CB GLU A 60 4.380 -7.808 -1.297 1.00 41.13 C ATOM 1015 CG GLU A 60 5.470 -6.762 -0.964 1.00 73.55 C ATOM 1016 CD GLU A 60 6.447 -7.194 0.152 1.00 33.24 C ATOM 1017 OE1 GLU A 60 6.104 -7.078 1.352 1.00 11.44 O ATOM 1018 OE2 GLU A 60 7.561 -7.653 -0.168 1.00 74.41 O ATOM 0 H GLU A 60 2.505 -9.434 -1.535 1.00 54.24 H new ATOM 0 HA GLU A 60 3.921 -8.403 0.719 1.00 40.44 H new ATOM 0 HB2 GLU A 60 4.868 -8.745 -1.564 1.00 41.13 H new ATOM 0 HB3 GLU A 60 3.834 -7.471 -2.178 1.00 41.13 H new ATOM 0 HG2 GLU A 60 6.041 -6.549 -1.868 1.00 73.55 H new ATOM 0 HG3 GLU A 60 4.986 -5.832 -0.667 1.00 73.55 H new ATOM 1025 N TYR A 61 1.453 -6.581 -0.546 1.00 22.42 N ATOM 1026 CA TYR A 61 0.525 -5.464 -0.286 1.00 34.13 C ATOM 1027 C TYR A 61 -0.271 -5.683 1.025 1.00 52.22 C ATOM 1028 O TYR A 61 -0.592 -4.724 1.737 1.00 44.41 O ATOM 1029 CB TYR A 61 -0.436 -5.247 -1.484 1.00 25.53 C ATOM 1030 CG TYR A 61 -1.256 -3.967 -1.339 1.00 21.42 C ATOM 1031 CD1 TYR A 61 -0.664 -2.729 -1.587 1.00 35.32 C ATOM 1032 CD2 TYR A 61 -2.579 -3.981 -0.887 1.00 72.51 C ATOM 1033 CE1 TYR A 61 -1.357 -1.563 -1.404 1.00 74.02 C ATOM 1034 CE2 TYR A 61 -3.275 -2.809 -0.690 1.00 22.10 C ATOM 1035 CZ TYR A 61 -2.652 -1.597 -0.953 1.00 63.01 C ATOM 1036 OH TYR A 61 -3.313 -0.414 -0.760 1.00 34.25 O ATOM 0 H TYR A 61 1.181 -7.164 -1.338 1.00 22.42 H new ATOM 0 HA TYR A 61 1.125 -4.562 -0.164 1.00 34.13 H new ATOM 0 HB2 TYR A 61 0.141 -5.204 -2.408 1.00 25.53 H new ATOM 0 HB3 TYR A 61 -1.109 -6.100 -1.567 1.00 25.53 H new ATOM 0 HD1 TYR A 61 0.359 -2.690 -1.930 1.00 35.32 H new ATOM 0 HD2 TYR A 61 -3.063 -4.926 -0.689 1.00 72.51 H new ATOM 0 HE1 TYR A 61 -0.884 -0.615 -1.615 1.00 74.02 H new ATOM 0 HE2 TYR A 61 -4.295 -2.833 -0.335 1.00 22.10 H new ATOM 0 HH TYR A 61 -2.824 0.310 -1.204 1.00 34.25 H new ATOM 1046 N ASP A 62 -0.591 -6.951 1.329 1.00 1.23 N ATOM 1047 CA ASP A 62 -1.209 -7.348 2.611 1.00 33.13 C ATOM 1048 C ASP A 62 -0.268 -6.977 3.781 1.00 13.44 C ATOM 1049 O ASP A 62 -0.704 -6.414 4.789 1.00 34.30 O ATOM 1050 CB ASP A 62 -1.514 -8.869 2.592 1.00 42.44 C ATOM 1051 CG ASP A 62 -2.170 -9.376 3.888 1.00 42.21 C ATOM 1052 OD1 ASP A 62 -3.409 -9.280 4.020 1.00 1.40 O ATOM 1053 OD2 ASP A 62 -1.447 -9.901 4.770 1.00 31.11 O ATOM 0 H ASP A 62 -0.430 -7.733 0.694 1.00 1.23 H new ATOM 0 HA ASP A 62 -2.149 -6.814 2.751 1.00 33.13 H new ATOM 0 HB2 ASP A 62 -2.171 -9.090 1.750 1.00 42.44 H new ATOM 0 HB3 ASP A 62 -0.586 -9.416 2.425 1.00 42.44 H new ATOM 1058 N SER A 63 1.037 -7.260 3.596 1.00 55.23 N ATOM 1059 CA SER A 63 2.107 -6.854 4.540 1.00 52.12 C ATOM 1060 C SER A 63 2.165 -5.316 4.745 1.00 1.31 C ATOM 1061 O SER A 63 2.566 -4.853 5.814 1.00 62.35 O ATOM 1062 CB SER A 63 3.478 -7.371 4.045 1.00 31.42 C ATOM 1063 OG SER A 63 3.472 -8.783 3.890 1.00 71.10 O ATOM 0 H SER A 63 1.383 -7.777 2.788 1.00 55.23 H new ATOM 0 HA SER A 63 1.870 -7.302 5.505 1.00 52.12 H new ATOM 0 HB2 SER A 63 3.725 -6.900 3.094 1.00 31.42 H new ATOM 0 HB3 SER A 63 4.255 -7.084 4.754 1.00 31.42 H new ATOM 0 HG SER A 63 2.888 -9.027 3.142 1.00 71.10 H new ATOM 1069 N LEU A 64 1.775 -4.537 3.705 1.00 3.25 N ATOM 1070 CA LEU A 64 1.681 -3.053 3.775 1.00 35.50 C ATOM 1071 C LEU A 64 0.430 -2.597 4.574 1.00 50.02 C ATOM 1072 O LEU A 64 0.466 -1.578 5.270 1.00 50.55 O ATOM 1073 CB LEU A 64 1.668 -2.453 2.337 1.00 50.44 C ATOM 1074 CG LEU A 64 1.742 -0.895 2.221 1.00 12.42 C ATOM 1075 CD1 LEU A 64 3.041 -0.339 2.852 1.00 30.21 C ATOM 1076 CD2 LEU A 64 1.594 -0.433 0.748 1.00 11.25 C ATOM 0 H LEU A 64 1.517 -4.917 2.794 1.00 3.25 H new ATOM 0 HA LEU A 64 2.557 -2.682 4.306 1.00 35.50 H new ATOM 0 HB2 LEU A 64 2.508 -2.875 1.786 1.00 50.44 H new ATOM 0 HB3 LEU A 64 0.759 -2.788 1.838 1.00 50.44 H new ATOM 0 HG LEU A 64 0.903 -0.487 2.784 1.00 12.42 H new ATOM 0 HD11 LEU A 64 3.058 0.746 2.753 1.00 30.21 H new ATOM 0 HD12 LEU A 64 3.077 -0.608 3.908 1.00 30.21 H new ATOM 0 HD13 LEU A 64 3.905 -0.764 2.340 1.00 30.21 H new ATOM 0 HD21 LEU A 64 1.650 0.655 0.700 1.00 11.25 H new ATOM 0 HD22 LEU A 64 2.396 -0.864 0.149 1.00 11.25 H new ATOM 0 HD23 LEU A 64 0.632 -0.765 0.358 1.00 11.25 H new ATOM 1088 N LEU A 65 -0.669 -3.369 4.471 1.00 51.31 N ATOM 1089 CA LEU A 65 -1.924 -3.098 5.222 1.00 62.12 C ATOM 1090 C LEU A 65 -1.759 -3.339 6.746 1.00 13.42 C ATOM 1091 O LEU A 65 -2.504 -2.769 7.552 1.00 70.12 O ATOM 1092 CB LEU A 65 -3.083 -3.967 4.666 1.00 64.45 C ATOM 1093 CG LEU A 65 -3.464 -3.718 3.174 1.00 3.54 C ATOM 1094 CD1 LEU A 65 -4.625 -4.632 2.742 1.00 23.41 C ATOM 1095 CD2 LEU A 65 -3.792 -2.231 2.916 1.00 75.32 C ATOM 0 H LEU A 65 -0.719 -4.193 3.872 1.00 51.31 H new ATOM 0 HA LEU A 65 -2.163 -2.044 5.082 1.00 62.12 H new ATOM 0 HB2 LEU A 65 -2.813 -5.017 4.782 1.00 64.45 H new ATOM 0 HB3 LEU A 65 -3.967 -3.796 5.280 1.00 64.45 H new ATOM 0 HG LEU A 65 -2.597 -3.969 2.563 1.00 3.54 H new ATOM 0 HD11 LEU A 65 -4.871 -4.439 1.698 1.00 23.41 H new ATOM 0 HD12 LEU A 65 -4.330 -5.675 2.858 1.00 23.41 H new ATOM 0 HD13 LEU A 65 -5.497 -4.431 3.364 1.00 23.41 H new ATOM 0 HD21 LEU A 65 -4.053 -2.093 1.867 1.00 75.32 H new ATOM 0 HD22 LEU A 65 -4.632 -1.930 3.542 1.00 75.32 H new ATOM 0 HD23 LEU A 65 -2.922 -1.619 3.157 1.00 75.32 H new ATOM 1107 N ASN A 66 -0.788 -4.195 7.124 1.00 22.13 N ATOM 1108 CA ASN A 66 -0.426 -4.447 8.545 1.00 74.15 C ATOM 1109 C ASN A 66 0.371 -3.264 9.173 1.00 44.13 C ATOM 1110 O ASN A 66 0.489 -3.183 10.400 1.00 63.35 O ATOM 1111 CB ASN A 66 0.385 -5.772 8.673 1.00 11.04 C ATOM 1112 CG ASN A 66 -0.474 -7.029 8.485 1.00 72.51 C ATOM 1113 OD1 ASN A 66 -1.058 -7.535 9.434 1.00 21.34 O ATOM 1114 ND2 ASN A 66 -0.536 -7.556 7.279 1.00 13.41 N ATOM 0 H ASN A 66 -0.231 -4.732 6.460 1.00 22.13 H new ATOM 0 HA ASN A 66 -1.359 -4.540 9.101 1.00 74.15 H new ATOM 0 HB2 ASN A 66 1.185 -5.773 7.933 1.00 11.04 H new ATOM 0 HB3 ASN A 66 0.858 -5.807 9.654 1.00 11.04 H new ATOM 0 HD21 ASN A 66 -1.080 -8.404 7.120 1.00 13.41 H new ATOM 0 HD22 ASN A 66 -0.040 -7.116 6.504 1.00 13.41 H new ATOM 1121 N GLU A 67 0.897 -2.352 8.330 1.00 73.15 N ATOM 1122 CA GLU A 67 1.736 -1.213 8.785 1.00 31.03 C ATOM 1123 C GLU A 67 0.862 0.013 9.181 1.00 33.43 C ATOM 1124 O GLU A 67 -0.303 0.130 8.765 1.00 3.50 O ATOM 1125 CB GLU A 67 2.748 -0.812 7.668 1.00 12.04 C ATOM 1126 CG GLU A 67 3.523 -1.984 7.017 1.00 30.33 C ATOM 1127 CD GLU A 67 4.411 -2.787 7.985 1.00 3.44 C ATOM 1128 OE1 GLU A 67 5.591 -2.424 8.161 1.00 51.20 O ATOM 1129 OE2 GLU A 67 3.944 -3.807 8.549 1.00 11.12 O ATOM 0 H GLU A 67 0.756 -2.379 7.320 1.00 73.15 H new ATOM 0 HA GLU A 67 2.286 -1.533 9.670 1.00 31.03 H new ATOM 0 HB2 GLU A 67 2.207 -0.279 6.886 1.00 12.04 H new ATOM 0 HB3 GLU A 67 3.470 -0.112 8.090 1.00 12.04 H new ATOM 0 HG2 GLU A 67 2.806 -2.663 6.555 1.00 30.33 H new ATOM 0 HG3 GLU A 67 4.148 -1.588 6.217 1.00 30.33 H new ATOM 1136 N LEU A 68 1.450 0.934 9.973 1.00 75.41 N ATOM 1137 CA LEU A 68 0.744 2.140 10.479 1.00 40.14 C ATOM 1138 C LEU A 68 0.723 3.273 9.430 1.00 15.24 C ATOM 1139 O LEU A 68 1.689 3.438 8.688 1.00 31.31 O ATOM 1140 CB LEU A 68 1.395 2.641 11.796 1.00 21.34 C ATOM 1141 CG LEU A 68 1.266 1.691 13.031 1.00 60.40 C ATOM 1142 CD1 LEU A 68 1.964 2.292 14.273 1.00 4.24 C ATOM 1143 CD2 LEU A 68 -0.219 1.372 13.320 1.00 4.31 C ATOM 0 H LEU A 68 2.420 0.868 10.280 1.00 75.41 H new ATOM 0 HA LEU A 68 -0.288 1.853 10.680 1.00 40.14 H new ATOM 0 HB2 LEU A 68 2.454 2.819 11.609 1.00 21.34 H new ATOM 0 HB3 LEU A 68 0.951 3.602 12.054 1.00 21.34 H new ATOM 0 HG LEU A 68 1.771 0.755 12.794 1.00 60.40 H new ATOM 0 HD11 LEU A 68 1.858 1.609 15.116 1.00 4.24 H new ATOM 0 HD12 LEU A 68 3.022 2.442 14.059 1.00 4.24 H new ATOM 0 HD13 LEU A 68 1.505 3.249 14.521 1.00 4.24 H new ATOM 0 HD21 LEU A 68 -0.288 0.710 14.183 1.00 4.31 H new ATOM 0 HD22 LEU A 68 -0.756 2.297 13.529 1.00 4.31 H new ATOM 0 HD23 LEU A 68 -0.662 0.884 12.452 1.00 4.31 H new ATOM 1155 N ASP A 69 -0.393 4.038 9.412 1.00 74.44 N ATOM 1156 CA ASP A 69 -0.632 5.186 8.493 1.00 34.02 C ATOM 1157 C ASP A 69 0.603 6.083 8.263 1.00 64.40 C ATOM 1158 O ASP A 69 1.135 6.136 7.149 1.00 72.55 O ATOM 1159 CB ASP A 69 -1.789 6.052 9.044 1.00 54.24 C ATOM 1160 CG ASP A 69 -3.149 5.398 8.849 1.00 3.12 C ATOM 1161 OD1 ASP A 69 -3.488 4.457 9.604 1.00 74.45 O ATOM 1162 OD2 ASP A 69 -3.872 5.803 7.918 1.00 55.24 O ATOM 0 H ASP A 69 -1.173 3.874 10.049 1.00 74.44 H new ATOM 0 HA ASP A 69 -0.881 4.751 7.525 1.00 34.02 H new ATOM 0 HB2 ASP A 69 -1.627 6.236 10.106 1.00 54.24 H new ATOM 0 HB3 ASP A 69 -1.781 7.022 8.547 1.00 54.24 H new ATOM 1167 N TRP A 70 1.056 6.760 9.333 1.00 11.12 N ATOM 1168 CA TRP A 70 2.155 7.738 9.244 1.00 20.11 C ATOM 1169 C TRP A 70 3.475 7.089 8.803 1.00 55.03 C ATOM 1170 O TRP A 70 4.216 7.697 8.045 1.00 4.01 O ATOM 1171 CB TRP A 70 2.335 8.489 10.578 1.00 64.11 C ATOM 1172 CG TRP A 70 1.252 9.506 10.835 1.00 3.22 C ATOM 1173 CD1 TRP A 70 0.162 9.380 11.651 1.00 53.22 C ATOM 1174 CD2 TRP A 70 1.163 10.808 10.239 1.00 13.44 C ATOM 1175 NE1 TRP A 70 -0.576 10.536 11.622 1.00 42.23 N ATOM 1176 CE2 TRP A 70 0.013 11.421 10.757 1.00 42.32 C ATOM 1177 CE3 TRP A 70 1.950 11.515 9.321 1.00 53.53 C ATOM 1178 CZ2 TRP A 70 -0.374 12.707 10.392 1.00 65.43 C ATOM 1179 CZ3 TRP A 70 1.565 12.790 8.953 1.00 3.30 C ATOM 1180 CH2 TRP A 70 0.412 13.375 9.490 1.00 42.54 C ATOM 0 H TRP A 70 0.676 6.647 10.273 1.00 11.12 H new ATOM 0 HA TRP A 70 1.877 8.459 8.475 1.00 20.11 H new ATOM 0 HB2 TRP A 70 2.349 7.768 11.395 1.00 64.11 H new ATOM 0 HB3 TRP A 70 3.303 8.990 10.578 1.00 64.11 H new ATOM 0 HD1 TRP A 70 -0.081 8.502 12.231 1.00 53.22 H new ATOM 0 HE1 TRP A 70 -1.426 10.709 12.158 1.00 42.23 H new ATOM 0 HE3 TRP A 70 2.843 11.071 8.907 1.00 53.53 H new ATOM 0 HZ2 TRP A 70 -1.262 13.162 10.805 1.00 65.43 H new ATOM 0 HZ3 TRP A 70 2.161 13.342 8.242 1.00 3.30 H new ATOM 0 HH2 TRP A 70 0.136 14.374 9.187 1.00 42.54 H new ATOM 1191 N ASP A 71 3.733 5.841 9.242 1.00 52.03 N ATOM 1192 CA ASP A 71 4.953 5.100 8.850 1.00 51.32 C ATOM 1193 C ASP A 71 4.976 4.848 7.319 1.00 34.44 C ATOM 1194 O ASP A 71 5.961 5.164 6.653 1.00 34.32 O ATOM 1195 CB ASP A 71 5.047 3.777 9.648 1.00 51.15 C ATOM 1196 CG ASP A 71 5.269 4.024 11.151 1.00 3.10 C ATOM 1197 OD1 ASP A 71 4.297 4.366 11.863 1.00 21.23 O ATOM 1198 OD2 ASP A 71 6.421 3.915 11.624 1.00 41.34 O ATOM 0 H ASP A 71 3.115 5.324 9.867 1.00 52.03 H new ATOM 0 HA ASP A 71 5.828 5.704 9.091 1.00 51.32 H new ATOM 0 HB2 ASP A 71 4.132 3.203 9.506 1.00 51.15 H new ATOM 0 HB3 ASP A 71 5.866 3.174 9.255 1.00 51.15 H new ATOM 1203 N ILE A 72 3.849 4.333 6.778 1.00 1.43 N ATOM 1204 CA ILE A 72 3.636 4.149 5.314 1.00 72.21 C ATOM 1205 C ILE A 72 3.845 5.481 4.547 1.00 70.22 C ATOM 1206 O ILE A 72 4.529 5.525 3.515 1.00 25.51 O ATOM 1207 CB ILE A 72 2.176 3.611 5.033 1.00 45.53 C ATOM 1208 CG1 ILE A 72 1.942 2.233 5.724 1.00 33.34 C ATOM 1209 CG2 ILE A 72 1.865 3.527 3.514 1.00 4.44 C ATOM 1210 CD1 ILE A 72 0.513 1.706 5.632 1.00 44.12 C ATOM 0 H ILE A 72 3.055 4.030 7.342 1.00 1.43 H new ATOM 0 HA ILE A 72 4.368 3.422 4.963 1.00 72.21 H new ATOM 0 HB ILE A 72 1.483 4.333 5.465 1.00 45.53 H new ATOM 0 HG12 ILE A 72 2.614 1.500 5.278 1.00 33.34 H new ATOM 0 HG13 ILE A 72 2.216 2.318 6.776 1.00 33.34 H new ATOM 0 HG21 ILE A 72 0.852 3.152 3.370 1.00 4.44 H new ATOM 0 HG22 ILE A 72 1.952 4.518 3.069 1.00 4.44 H new ATOM 0 HG23 ILE A 72 2.573 2.851 3.034 1.00 4.44 H new ATOM 0 HD11 ILE A 72 0.447 0.744 6.140 1.00 44.12 H new ATOM 0 HD12 ILE A 72 -0.167 2.414 6.105 1.00 44.12 H new ATOM 0 HD13 ILE A 72 0.237 1.583 4.585 1.00 44.12 H new ATOM 1222 N TYR A 73 3.265 6.561 5.100 1.00 34.12 N ATOM 1223 CA TYR A 73 3.305 7.908 4.501 1.00 50.44 C ATOM 1224 C TYR A 73 4.748 8.475 4.464 1.00 2.43 C ATOM 1225 O TYR A 73 5.148 9.077 3.473 1.00 52.12 O ATOM 1226 CB TYR A 73 2.359 8.848 5.293 1.00 63.24 C ATOM 1227 CG TYR A 73 2.204 10.257 4.704 1.00 11.03 C ATOM 1228 CD1 TYR A 73 1.526 10.462 3.495 1.00 4.15 C ATOM 1229 CD2 TYR A 73 2.736 11.381 5.347 1.00 51.43 C ATOM 1230 CE1 TYR A 73 1.383 11.730 2.959 1.00 55.42 C ATOM 1231 CE2 TYR A 73 2.594 12.649 4.814 1.00 40.42 C ATOM 1232 CZ TYR A 73 1.920 12.819 3.620 1.00 24.24 C ATOM 1233 OH TYR A 73 1.777 14.085 3.091 1.00 10.13 O ATOM 0 H TYR A 73 2.752 6.524 5.981 1.00 34.12 H new ATOM 0 HA TYR A 73 2.965 7.841 3.467 1.00 50.44 H new ATOM 0 HB2 TYR A 73 1.374 8.384 5.350 1.00 63.24 H new ATOM 0 HB3 TYR A 73 2.730 8.936 6.314 1.00 63.24 H new ATOM 0 HD1 TYR A 73 1.107 9.615 2.972 1.00 4.15 H new ATOM 0 HD2 TYR A 73 3.268 11.255 6.278 1.00 51.43 H new ATOM 0 HE1 TYR A 73 0.854 11.868 2.028 1.00 55.42 H new ATOM 0 HE2 TYR A 73 3.008 13.503 5.329 1.00 40.42 H new ATOM 0 HH TYR A 73 0.852 14.387 3.210 1.00 10.13 H new ATOM 1243 N TYR A 74 5.525 8.248 5.541 1.00 1.00 N ATOM 1244 CA TYR A 74 6.920 8.739 5.647 1.00 34.52 C ATOM 1245 C TYR A 74 7.867 7.973 4.703 1.00 61.01 C ATOM 1246 O TYR A 74 8.722 8.580 4.073 1.00 72.13 O ATOM 1247 CB TYR A 74 7.437 8.671 7.110 1.00 41.11 C ATOM 1248 CG TYR A 74 6.749 9.648 8.081 1.00 21.43 C ATOM 1249 CD1 TYR A 74 6.438 10.957 7.697 1.00 60.33 C ATOM 1250 CD2 TYR A 74 6.420 9.265 9.384 1.00 70.55 C ATOM 1251 CE1 TYR A 74 5.823 11.832 8.570 1.00 62.32 C ATOM 1252 CE2 TYR A 74 5.806 10.135 10.257 1.00 23.10 C ATOM 1253 CZ TYR A 74 5.510 11.417 9.848 1.00 63.11 C ATOM 1254 OH TYR A 74 4.892 12.286 10.715 1.00 70.31 O ATOM 0 H TYR A 74 5.210 7.724 6.358 1.00 1.00 H new ATOM 0 HA TYR A 74 6.912 9.784 5.338 1.00 34.52 H new ATOM 0 HB2 TYR A 74 7.302 7.655 7.482 1.00 41.11 H new ATOM 0 HB3 TYR A 74 8.508 8.872 7.112 1.00 41.11 H new ATOM 0 HD1 TYR A 74 6.684 11.289 6.699 1.00 60.33 H new ATOM 0 HD2 TYR A 74 6.653 8.263 9.714 1.00 70.55 H new ATOM 0 HE1 TYR A 74 5.588 12.838 8.254 1.00 62.32 H new ATOM 0 HE2 TYR A 74 5.558 9.814 11.258 1.00 23.10 H new ATOM 0 HH TYR A 74 3.927 12.288 10.543 1.00 70.31 H new ATOM 1264 N TRP A 75 7.695 6.645 4.590 1.00 32.14 N ATOM 1265 CA TRP A 75 8.510 5.822 3.661 1.00 51.00 C ATOM 1266 C TRP A 75 8.230 6.199 2.182 1.00 24.54 C ATOM 1267 O TRP A 75 9.138 6.200 1.348 1.00 5.12 O ATOM 1268 CB TRP A 75 8.263 4.310 3.886 1.00 54.12 C ATOM 1269 CG TRP A 75 8.512 3.818 5.297 1.00 63.13 C ATOM 1270 CD1 TRP A 75 9.466 4.252 6.179 1.00 73.10 C ATOM 1271 CD2 TRP A 75 7.798 2.774 5.972 1.00 21.31 C ATOM 1272 NE1 TRP A 75 9.368 3.562 7.358 1.00 34.11 N ATOM 1273 CE2 TRP A 75 8.354 2.648 7.255 1.00 43.35 C ATOM 1274 CE3 TRP A 75 6.733 1.942 5.609 1.00 32.43 C ATOM 1275 CZ2 TRP A 75 7.878 1.726 8.183 1.00 4.50 C ATOM 1276 CZ3 TRP A 75 6.262 1.026 6.529 1.00 71.42 C ATOM 1277 CH2 TRP A 75 6.837 0.920 7.803 1.00 64.45 C ATOM 0 H TRP A 75 7.006 6.115 5.124 1.00 32.14 H new ATOM 0 HA TRP A 75 9.558 6.033 3.876 1.00 51.00 H new ATOM 0 HB2 TRP A 75 7.232 4.083 3.616 1.00 54.12 H new ATOM 0 HB3 TRP A 75 8.902 3.749 3.205 1.00 54.12 H new ATOM 0 HD1 TRP A 75 10.191 5.026 5.974 1.00 73.10 H new ATOM 0 HE1 TRP A 75 9.955 3.706 8.180 1.00 34.11 H new ATOM 0 HE3 TRP A 75 6.288 2.015 4.628 1.00 32.43 H new ATOM 0 HZ2 TRP A 75 8.314 1.649 9.168 1.00 4.50 H new ATOM 0 HZ3 TRP A 75 5.438 0.381 6.263 1.00 71.42 H new ATOM 0 HH2 TRP A 75 6.452 0.189 8.499 1.00 64.45 H new ATOM 1288 N ALA A 76 6.959 6.532 1.888 1.00 30.32 N ATOM 1289 CA ALA A 76 6.515 6.987 0.550 1.00 43.35 C ATOM 1290 C ALA A 76 7.052 8.399 0.197 1.00 14.44 C ATOM 1291 O ALA A 76 7.442 8.661 -0.948 1.00 64.21 O ATOM 1292 CB ALA A 76 4.985 6.974 0.488 1.00 74.04 C ATOM 0 H ALA A 76 6.205 6.494 2.573 1.00 30.32 H new ATOM 0 HA ALA A 76 6.925 6.297 -0.187 1.00 43.35 H new ATOM 0 HB1 ALA A 76 4.658 7.309 -0.496 1.00 74.04 H new ATOM 0 HB2 ALA A 76 4.622 5.962 0.666 1.00 74.04 H new ATOM 0 HB3 ALA A 76 4.584 7.642 1.250 1.00 74.04 H new ATOM 1298 N THR A 77 7.055 9.309 1.196 1.00 1.13 N ATOM 1299 CA THR A 77 7.566 10.704 1.038 1.00 74.45 C ATOM 1300 C THR A 77 9.097 10.794 1.255 1.00 10.22 C ATOM 1301 O THR A 77 9.669 11.886 1.145 1.00 71.33 O ATOM 1302 CB THR A 77 6.858 11.701 2.026 1.00 64.32 C ATOM 1303 OG1 THR A 77 7.096 11.306 3.391 1.00 15.15 O ATOM 1304 CG2 THR A 77 5.339 11.796 1.767 1.00 71.14 C ATOM 0 H THR A 77 6.707 9.106 2.133 1.00 1.13 H new ATOM 0 HA THR A 77 7.336 10.988 0.011 1.00 74.45 H new ATOM 0 HB THR A 77 7.287 12.687 1.850 1.00 64.32 H new ATOM 0 HG1 THR A 77 6.433 10.636 3.658 1.00 15.15 H new ATOM 0 HG21 THR A 77 4.893 12.496 2.473 1.00 71.14 H new ATOM 0 HG22 THR A 77 5.165 12.146 0.750 1.00 71.14 H new ATOM 0 HG23 THR A 77 4.886 10.813 1.895 1.00 71.14 H new ATOM 1312 N LYS A 78 9.734 9.640 1.574 1.00 72.40 N ATOM 1313 CA LYS A 78 11.198 9.507 1.804 1.00 40.21 C ATOM 1314 C LYS A 78 11.662 10.206 3.129 1.00 53.14 C ATOM 1315 O LYS A 78 12.855 10.473 3.343 1.00 11.41 O ATOM 1316 CB LYS A 78 11.998 9.996 0.550 1.00 71.31 C ATOM 1317 CG LYS A 78 13.483 9.575 0.511 1.00 20.54 C ATOM 1318 CD LYS A 78 14.218 10.101 -0.735 1.00 64.43 C ATOM 1319 CE LYS A 78 15.705 9.707 -0.759 1.00 15.22 C ATOM 1320 NZ LYS A 78 16.384 10.209 -1.980 1.00 75.11 N ATOM 0 H LYS A 78 9.236 8.756 1.681 1.00 72.40 H new ATOM 0 HA LYS A 78 11.419 8.449 1.942 1.00 40.21 H new ATOM 0 HB2 LYS A 78 11.506 9.616 -0.345 1.00 71.31 H new ATOM 0 HB3 LYS A 78 11.944 11.084 0.506 1.00 71.31 H new ATOM 0 HG2 LYS A 78 13.984 9.944 1.406 1.00 20.54 H new ATOM 0 HG3 LYS A 78 13.549 8.487 0.534 1.00 20.54 H new ATOM 0 HD2 LYS A 78 13.730 9.715 -1.630 1.00 64.43 H new ATOM 0 HD3 LYS A 78 14.134 11.187 -0.770 1.00 64.43 H new ATOM 0 HE2 LYS A 78 16.202 10.107 0.125 1.00 15.22 H new ATOM 0 HE3 LYS A 78 15.795 8.622 -0.712 1.00 15.22 H new ATOM 0 HZ1 LYS A 78 17.384 9.925 -1.963 1.00 75.11 H new ATOM 0 HZ2 LYS A 78 15.925 9.808 -2.822 1.00 75.11 H new ATOM 0 HZ3 LYS A 78 16.319 11.246 -2.012 1.00 75.11 H new ATOM 1334 N ASN A 79 10.706 10.461 4.044 1.00 72.40 N ATOM 1335 CA ASN A 79 10.987 10.974 5.403 1.00 4.44 C ATOM 1336 C ASN A 79 11.386 9.792 6.348 1.00 1.31 C ATOM 1337 O ASN A 79 10.666 9.438 7.296 1.00 34.44 O ATOM 1338 CB ASN A 79 9.750 11.761 5.930 1.00 63.54 C ATOM 1339 CG ASN A 79 10.019 12.621 7.175 1.00 4.31 C ATOM 1340 OD1 ASN A 79 10.885 12.331 7.999 1.00 3.13 O ATOM 1341 ND2 ASN A 79 9.266 13.692 7.328 1.00 21.10 N ATOM 0 H ASN A 79 9.713 10.317 3.862 1.00 72.40 H new ATOM 0 HA ASN A 79 11.830 11.664 5.376 1.00 4.44 H new ATOM 0 HB2 ASN A 79 9.380 12.406 5.133 1.00 63.54 H new ATOM 0 HB3 ASN A 79 8.956 11.051 6.160 1.00 63.54 H new ATOM 0 HD21 ASN A 79 9.397 14.296 8.140 1.00 21.10 H new ATOM 0 HD22 ASN A 79 8.553 13.917 6.635 1.00 21.10 H new ATOM 1348 N PHE A 80 12.554 9.188 6.054 1.00 0.13 N ATOM 1349 CA PHE A 80 13.130 8.074 6.847 1.00 52.12 C ATOM 1350 C PHE A 80 13.765 8.572 8.171 1.00 44.10 C ATOM 1351 O PHE A 80 14.154 7.766 9.028 1.00 21.34 O ATOM 1352 CB PHE A 80 14.175 7.307 5.996 1.00 14.24 C ATOM 1353 CG PHE A 80 13.607 6.681 4.722 1.00 50.43 C ATOM 1354 CD1 PHE A 80 12.607 5.716 4.794 1.00 21.20 C ATOM 1355 CD2 PHE A 80 14.076 7.042 3.457 1.00 21.31 C ATOM 1356 CE1 PHE A 80 12.095 5.136 3.650 1.00 21.25 C ATOM 1357 CE2 PHE A 80 13.560 6.459 2.313 1.00 54.21 C ATOM 1358 CZ PHE A 80 12.569 5.506 2.410 1.00 64.51 C ATOM 0 H PHE A 80 13.130 9.457 5.257 1.00 0.13 H new ATOM 0 HA PHE A 80 12.317 7.399 7.115 1.00 52.12 H new ATOM 0 HB2 PHE A 80 14.979 7.991 5.724 1.00 14.24 H new ATOM 0 HB3 PHE A 80 14.619 6.521 6.607 1.00 14.24 H new ATOM 0 HD1 PHE A 80 12.226 5.416 5.759 1.00 21.20 H new ATOM 0 HD2 PHE A 80 14.853 7.787 3.370 1.00 21.31 H new ATOM 0 HE1 PHE A 80 11.319 4.389 3.728 1.00 21.25 H new ATOM 0 HE2 PHE A 80 13.934 6.751 1.343 1.00 54.21 H new ATOM 0 HZ PHE A 80 12.165 5.051 1.518 1.00 64.51 H new ATOM 1368 N LYS A 81 13.879 9.907 8.313 1.00 1.20 N ATOM 1369 CA LYS A 81 14.300 10.570 9.560 1.00 22.22 C ATOM 1370 C LYS A 81 13.315 10.261 10.716 1.00 51.51 C ATOM 1371 O LYS A 81 13.729 9.848 11.806 1.00 42.03 O ATOM 1372 CB LYS A 81 14.377 12.102 9.328 1.00 34.12 C ATOM 1373 CG LYS A 81 14.676 12.935 10.599 1.00 24.25 C ATOM 1374 CD LYS A 81 14.642 14.463 10.351 1.00 23.22 C ATOM 1375 CE LYS A 81 13.260 14.960 9.876 1.00 12.13 C ATOM 1376 NZ LYS A 81 13.214 16.435 9.745 1.00 20.01 N ATOM 0 H LYS A 81 13.679 10.561 7.556 1.00 1.20 H new ATOM 0 HA LYS A 81 15.282 10.189 9.841 1.00 22.22 H new ATOM 0 HB2 LYS A 81 15.150 12.305 8.587 1.00 34.12 H new ATOM 0 HB3 LYS A 81 13.432 12.439 8.903 1.00 34.12 H new ATOM 0 HG2 LYS A 81 13.948 12.683 11.370 1.00 24.25 H new ATOM 0 HG3 LYS A 81 15.657 12.658 10.984 1.00 24.25 H new ATOM 0 HD2 LYS A 81 14.914 14.982 11.270 1.00 23.22 H new ATOM 0 HD3 LYS A 81 15.393 14.722 9.605 1.00 23.22 H new ATOM 0 HE2 LYS A 81 13.021 14.503 8.915 1.00 12.13 H new ATOM 0 HE3 LYS A 81 12.496 14.635 10.582 1.00 12.13 H new ATOM 0 HZ1 LYS A 81 12.268 16.726 9.424 1.00 20.01 H new ATOM 0 HZ2 LYS A 81 13.416 16.872 10.667 1.00 20.01 H new ATOM 0 HZ3 LYS A 81 13.925 16.744 9.052 1.00 20.01 H new ATOM 1390 N THR A 82 12.007 10.470 10.460 1.00 45.41 N ATOM 1391 CA THR A 82 10.954 10.258 11.481 1.00 50.24 C ATOM 1392 C THR A 82 10.672 8.749 11.668 1.00 62.42 C ATOM 1393 O THR A 82 10.762 8.226 12.783 1.00 63.43 O ATOM 1394 CB THR A 82 9.625 11.005 11.117 1.00 5.14 C ATOM 1395 OG1 THR A 82 9.912 12.358 10.740 1.00 34.21 O ATOM 1396 CG2 THR A 82 8.635 11.028 12.296 1.00 4.43 C ATOM 0 H THR A 82 11.653 10.785 9.557 1.00 45.41 H new ATOM 0 HA THR A 82 11.328 10.674 12.416 1.00 50.24 H new ATOM 0 HB THR A 82 9.169 10.462 10.289 1.00 5.14 H new ATOM 0 HG1 THR A 82 10.229 12.379 9.813 1.00 34.21 H new ATOM 0 HG21 THR A 82 7.728 11.555 12.000 1.00 4.43 H new ATOM 0 HG22 THR A 82 8.384 10.006 12.580 1.00 4.43 H new ATOM 0 HG23 THR A 82 9.091 11.539 13.144 1.00 4.43 H new ATOM 1404 N SER A 83 10.341 8.057 10.561 1.00 22.42 N ATOM 1405 CA SER A 83 10.112 6.588 10.552 1.00 20.41 C ATOM 1406 C SER A 83 11.227 5.869 9.752 1.00 23.53 C ATOM 1407 O SER A 83 11.215 5.916 8.516 1.00 14.11 O ATOM 1408 CB SER A 83 8.720 6.251 9.953 1.00 31.41 C ATOM 1409 OG SER A 83 7.677 6.675 10.811 1.00 72.12 O ATOM 0 H SER A 83 10.224 8.494 9.647 1.00 22.42 H new ATOM 0 HA SER A 83 10.138 6.235 11.583 1.00 20.41 H new ATOM 0 HB2 SER A 83 8.613 6.733 8.981 1.00 31.41 H new ATOM 0 HB3 SER A 83 8.643 5.177 9.787 1.00 31.41 H new ATOM 0 HG SER A 83 7.199 5.892 11.157 1.00 72.12 H new ATOM 1415 N PRO A 84 12.230 5.211 10.442 1.00 32.12 N ATOM 1416 CA PRO A 84 13.296 4.412 9.763 1.00 2.34 C ATOM 1417 C PRO A 84 12.723 3.263 8.900 1.00 13.33 C ATOM 1418 O PRO A 84 11.675 2.694 9.229 1.00 42.45 O ATOM 1419 CB PRO A 84 14.150 3.852 10.940 1.00 63.43 C ATOM 1420 CG PRO A 84 13.859 4.771 12.088 1.00 42.11 C ATOM 1421 CD PRO A 84 12.416 5.206 11.918 1.00 30.54 C ATOM 0 HA PRO A 84 13.870 5.021 9.064 1.00 2.34 H new ATOM 0 HB2 PRO A 84 13.875 2.824 11.175 1.00 63.43 H new ATOM 0 HB3 PRO A 84 15.212 3.849 10.693 1.00 63.43 H new ATOM 0 HG2 PRO A 84 14.004 4.263 13.041 1.00 42.11 H new ATOM 0 HG3 PRO A 84 14.529 5.630 12.080 1.00 42.11 H new ATOM 0 HD2 PRO A 84 11.728 4.517 12.408 1.00 30.54 H new ATOM 0 HD3 PRO A 84 12.240 6.192 12.349 1.00 30.54 H new ATOM 1429 N LEU A 85 13.414 2.930 7.801 1.00 25.30 N ATOM 1430 CA LEU A 85 12.960 1.894 6.863 1.00 65.01 C ATOM 1431 C LEU A 85 13.316 0.463 7.367 1.00 51.43 C ATOM 1432 O LEU A 85 14.502 0.157 7.530 1.00 75.24 O ATOM 1433 CB LEU A 85 13.582 2.142 5.471 1.00 53.35 C ATOM 1434 CG LEU A 85 12.977 1.289 4.326 1.00 2.11 C ATOM 1435 CD1 LEU A 85 11.456 1.560 4.193 1.00 1.21 C ATOM 1436 CD2 LEU A 85 13.725 1.533 2.996 1.00 40.55 C ATOM 0 H LEU A 85 14.297 3.368 7.538 1.00 25.30 H new ATOM 0 HA LEU A 85 11.874 1.955 6.793 1.00 65.01 H new ATOM 0 HB2 LEU A 85 13.466 3.196 5.220 1.00 53.35 H new ATOM 0 HB3 LEU A 85 14.652 1.943 5.526 1.00 53.35 H new ATOM 0 HG LEU A 85 13.104 0.235 4.574 1.00 2.11 H new ATOM 0 HD11 LEU A 85 11.048 0.953 3.385 1.00 1.21 H new ATOM 0 HD12 LEU A 85 10.957 1.303 5.128 1.00 1.21 H new ATOM 0 HD13 LEU A 85 11.292 2.615 3.973 1.00 1.21 H new ATOM 0 HD21 LEU A 85 13.280 0.922 2.211 1.00 40.55 H new ATOM 0 HD22 LEU A 85 13.649 2.586 2.724 1.00 40.55 H new ATOM 0 HD23 LEU A 85 14.775 1.264 3.114 1.00 40.55 H new ATOM 1448 N PRO A 86 12.294 -0.432 7.623 1.00 22.32 N ATOM 1449 CA PRO A 86 12.527 -1.848 8.032 1.00 1.34 C ATOM 1450 C PRO A 86 13.057 -2.735 6.879 1.00 31.41 C ATOM 1451 O PRO A 86 12.958 -2.364 5.703 1.00 3.43 O ATOM 1452 CB PRO A 86 11.116 -2.335 8.502 1.00 4.11 C ATOM 1453 CG PRO A 86 10.286 -1.089 8.608 1.00 74.53 C ATOM 1454 CD PRO A 86 10.843 -0.149 7.565 1.00 61.35 C ATOM 0 HA PRO A 86 13.295 -1.918 8.803 1.00 1.34 H new ATOM 0 HB2 PRO A 86 10.684 -3.037 7.789 1.00 4.11 H new ATOM 0 HB3 PRO A 86 11.176 -2.851 9.460 1.00 4.11 H new ATOM 0 HG2 PRO A 86 9.233 -1.301 8.424 1.00 74.53 H new ATOM 0 HG3 PRO A 86 10.354 -0.655 9.605 1.00 74.53 H new ATOM 0 HD2 PRO A 86 10.430 -0.349 6.576 1.00 61.35 H new ATOM 0 HD3 PRO A 86 10.623 0.893 7.798 1.00 61.35 H new ATOM 1462 N ASP A 87 13.578 -3.928 7.246 1.00 33.50 N ATOM 1463 CA ASP A 87 14.160 -4.914 6.293 1.00 50.13 C ATOM 1464 C ASP A 87 13.149 -5.351 5.209 1.00 72.52 C ATOM 1465 O ASP A 87 13.483 -5.383 4.020 1.00 23.22 O ATOM 1466 CB ASP A 87 14.670 -6.164 7.058 1.00 11.14 C ATOM 1467 CG ASP A 87 15.717 -5.821 8.125 1.00 2.34 C ATOM 1468 OD1 ASP A 87 15.324 -5.454 9.251 1.00 2.11 O ATOM 1469 OD2 ASP A 87 16.928 -5.921 7.847 1.00 61.30 O ATOM 0 H ASP A 87 13.609 -4.240 8.217 1.00 33.50 H new ATOM 0 HA ASP A 87 14.992 -4.419 5.792 1.00 50.13 H new ATOM 0 HB2 ASP A 87 13.825 -6.664 7.532 1.00 11.14 H new ATOM 0 HB3 ASP A 87 15.100 -6.869 6.347 1.00 11.14 H new ATOM 1474 N LYS A 88 11.912 -5.667 5.650 1.00 2.24 N ATOM 1475 CA LYS A 88 10.802 -6.106 4.760 1.00 34.15 C ATOM 1476 C LYS A 88 10.500 -5.104 3.612 1.00 75.42 C ATOM 1477 O LYS A 88 9.950 -5.494 2.582 1.00 45.50 O ATOM 1478 CB LYS A 88 9.514 -6.361 5.597 1.00 32.50 C ATOM 1479 CG LYS A 88 8.993 -5.128 6.385 1.00 33.13 C ATOM 1480 CD LYS A 88 7.673 -5.401 7.159 1.00 20.23 C ATOM 1481 CE LYS A 88 6.480 -5.697 6.233 1.00 51.03 C ATOM 1482 NZ LYS A 88 5.221 -5.896 6.989 1.00 63.50 N ATOM 0 H LYS A 88 11.649 -5.626 6.635 1.00 2.24 H new ATOM 0 HA LYS A 88 11.131 -7.031 4.287 1.00 34.15 H new ATOM 0 HB2 LYS A 88 8.726 -6.706 4.928 1.00 32.50 H new ATOM 0 HB3 LYS A 88 9.710 -7.169 6.302 1.00 32.50 H new ATOM 0 HG2 LYS A 88 9.759 -4.807 7.091 1.00 33.13 H new ATOM 0 HG3 LYS A 88 8.834 -4.303 5.690 1.00 33.13 H new ATOM 0 HD2 LYS A 88 7.821 -6.246 7.832 1.00 20.23 H new ATOM 0 HD3 LYS A 88 7.438 -4.537 7.780 1.00 20.23 H new ATOM 0 HE2 LYS A 88 6.354 -4.873 5.531 1.00 51.03 H new ATOM 0 HE3 LYS A 88 6.692 -6.589 5.643 1.00 51.03 H new ATOM 0 HZ1 LYS A 88 4.410 -5.673 6.377 1.00 63.50 H new ATOM 0 HZ2 LYS A 88 5.157 -6.886 7.302 1.00 63.50 H new ATOM 0 HZ3 LYS A 88 5.212 -5.269 7.819 1.00 63.50 H new ATOM 1496 N TRP A 89 10.853 -3.812 3.806 1.00 61.12 N ATOM 1497 CA TRP A 89 10.663 -2.756 2.780 1.00 61.42 C ATOM 1498 C TRP A 89 11.987 -2.331 2.117 1.00 5.13 C ATOM 1499 O TRP A 89 11.984 -1.840 0.984 1.00 22.45 O ATOM 1500 CB TRP A 89 9.938 -1.541 3.396 1.00 13.10 C ATOM 1501 CG TRP A 89 8.576 -1.877 3.960 1.00 74.12 C ATOM 1502 CD1 TRP A 89 8.135 -1.678 5.238 1.00 3.20 C ATOM 1503 CD2 TRP A 89 7.494 -2.514 3.260 1.00 24.30 C ATOM 1504 NE1 TRP A 89 6.855 -2.142 5.371 1.00 61.32 N ATOM 1505 CE2 TRP A 89 6.442 -2.662 4.171 1.00 22.44 C ATOM 1506 CE3 TRP A 89 7.313 -2.972 1.946 1.00 63.31 C ATOM 1507 CZ2 TRP A 89 5.236 -3.255 3.819 1.00 55.35 C ATOM 1508 CZ3 TRP A 89 6.119 -3.557 1.598 1.00 41.14 C ATOM 1509 CH2 TRP A 89 5.093 -3.697 2.530 1.00 54.21 C ATOM 0 H TRP A 89 11.274 -3.472 4.671 1.00 61.12 H new ATOM 0 HA TRP A 89 10.043 -3.178 1.989 1.00 61.42 H new ATOM 0 HB2 TRP A 89 10.558 -1.121 4.188 1.00 13.10 H new ATOM 0 HB3 TRP A 89 9.827 -0.769 2.635 1.00 13.10 H new ATOM 0 HD1 TRP A 89 8.713 -1.221 6.028 1.00 3.20 H new ATOM 0 HE1 TRP A 89 6.298 -2.107 6.225 1.00 61.32 H new ATOM 0 HE3 TRP A 89 8.103 -2.866 1.217 1.00 63.31 H new ATOM 0 HZ2 TRP A 89 4.437 -3.364 4.538 1.00 55.35 H new ATOM 0 HZ3 TRP A 89 5.974 -3.913 0.589 1.00 41.14 H new ATOM 0 HH2 TRP A 89 4.166 -4.163 2.230 1.00 54.21 H new ATOM 1520 N ALA A 90 13.109 -2.555 2.820 1.00 44.54 N ATOM 1521 CA ALA A 90 14.469 -2.199 2.346 1.00 22.15 C ATOM 1522 C ALA A 90 14.835 -2.886 1.006 1.00 30.34 C ATOM 1523 O ALA A 90 15.525 -2.302 0.158 1.00 11.21 O ATOM 1524 CB ALA A 90 15.499 -2.553 3.429 1.00 63.35 C ATOM 0 H ALA A 90 13.105 -2.992 3.742 1.00 44.54 H new ATOM 0 HA ALA A 90 14.481 -1.125 2.158 1.00 22.15 H new ATOM 0 HB1 ALA A 90 16.498 -2.291 3.080 1.00 63.35 H new ATOM 0 HB2 ALA A 90 15.275 -1.997 4.340 1.00 63.35 H new ATOM 0 HB3 ALA A 90 15.456 -3.622 3.637 1.00 63.35 H new ATOM 1530 N ASN A 91 14.375 -4.141 0.832 1.00 72.23 N ATOM 1531 CA ASN A 91 14.587 -4.919 -0.419 1.00 75.42 C ATOM 1532 C ASN A 91 13.262 -5.143 -1.205 1.00 21.14 C ATOM 1533 O ASN A 91 13.228 -5.928 -2.156 1.00 11.51 O ATOM 1534 CB ASN A 91 15.267 -6.275 -0.083 1.00 2.01 C ATOM 1535 CG ASN A 91 14.391 -7.211 0.756 1.00 50.24 C ATOM 1536 OD1 ASN A 91 13.660 -8.038 0.226 1.00 22.00 O ATOM 1537 ND2 ASN A 91 14.453 -7.087 2.067 1.00 22.24 N ATOM 0 H ASN A 91 13.849 -4.647 1.545 1.00 72.23 H new ATOM 0 HA ASN A 91 15.241 -4.338 -1.069 1.00 75.42 H new ATOM 0 HB2 ASN A 91 15.534 -6.778 -1.012 1.00 2.01 H new ATOM 0 HB3 ASN A 91 16.196 -6.083 0.454 1.00 2.01 H new ATOM 0 HD21 ASN A 91 13.884 -7.688 2.664 1.00 22.24 H new ATOM 0 HD22 ASN A 91 15.070 -6.390 2.485 1.00 22.24 H new ATOM 1544 N SER A 92 12.183 -4.429 -0.817 1.00 2.40 N ATOM 1545 CA SER A 92 10.839 -4.596 -1.436 1.00 71.31 C ATOM 1546 C SER A 92 10.657 -3.692 -2.664 1.00 55.11 C ATOM 1547 O SER A 92 10.965 -2.492 -2.620 1.00 4.21 O ATOM 1548 CB SER A 92 9.716 -4.287 -0.425 1.00 42.00 C ATOM 1549 OG SER A 92 8.420 -4.441 -0.999 1.00 70.34 O ATOM 0 H SER A 92 12.212 -3.728 -0.076 1.00 2.40 H new ATOM 0 HA SER A 92 10.774 -5.638 -1.750 1.00 71.31 H new ATOM 0 HB2 SER A 92 9.812 -4.949 0.436 1.00 42.00 H new ATOM 0 HB3 SER A 92 9.830 -3.267 -0.057 1.00 42.00 H new ATOM 0 HG SER A 92 7.740 -4.169 -0.348 1.00 70.34 H new ATOM 1555 N LYS A 93 10.146 -4.279 -3.762 1.00 73.54 N ATOM 1556 CA LYS A 93 9.746 -3.519 -4.958 1.00 70.41 C ATOM 1557 C LYS A 93 8.478 -2.670 -4.687 1.00 52.40 C ATOM 1558 O LYS A 93 8.391 -1.537 -5.153 1.00 2.53 O ATOM 1559 CB LYS A 93 9.526 -4.466 -6.166 1.00 51.32 C ATOM 1560 CG LYS A 93 9.067 -3.739 -7.448 1.00 64.14 C ATOM 1561 CD LYS A 93 9.002 -4.644 -8.691 1.00 32.11 C ATOM 1562 CE LYS A 93 8.525 -3.863 -9.928 1.00 43.54 C ATOM 1563 NZ LYS A 93 9.360 -2.655 -10.194 1.00 73.22 N ATOM 0 H LYS A 93 10.000 -5.285 -3.844 1.00 73.54 H new ATOM 0 HA LYS A 93 10.559 -2.835 -5.204 1.00 70.41 H new ATOM 0 HB2 LYS A 93 10.454 -4.998 -6.373 1.00 51.32 H new ATOM 0 HB3 LYS A 93 8.782 -5.216 -5.898 1.00 51.32 H new ATOM 0 HG2 LYS A 93 8.082 -3.306 -7.275 1.00 64.14 H new ATOM 0 HG3 LYS A 93 9.748 -2.912 -7.648 1.00 64.14 H new ATOM 0 HD2 LYS A 93 9.986 -5.070 -8.885 1.00 32.11 H new ATOM 0 HD3 LYS A 93 8.326 -5.477 -8.502 1.00 32.11 H new ATOM 0 HE2 LYS A 93 8.549 -4.517 -10.799 1.00 43.54 H new ATOM 0 HE3 LYS A 93 7.488 -3.560 -9.786 1.00 43.54 H new ATOM 0 HZ1 LYS A 93 9.148 -2.288 -11.144 1.00 73.22 H new ATOM 0 HZ2 LYS A 93 9.148 -1.924 -9.485 1.00 73.22 H new ATOM 0 HZ3 LYS A 93 10.367 -2.910 -10.138 1.00 73.22 H new ATOM 1577 N LEU A 94 7.517 -3.227 -3.908 1.00 30.14 N ATOM 1578 CA LEU A 94 6.224 -2.559 -3.579 1.00 72.42 C ATOM 1579 C LEU A 94 6.428 -1.169 -2.934 1.00 62.11 C ATOM 1580 O LEU A 94 5.719 -0.209 -3.266 1.00 63.03 O ATOM 1581 CB LEU A 94 5.384 -3.428 -2.612 1.00 55.41 C ATOM 1582 CG LEU A 94 3.973 -2.848 -2.248 1.00 15.53 C ATOM 1583 CD1 LEU A 94 2.967 -2.994 -3.407 1.00 30.54 C ATOM 1584 CD2 LEU A 94 3.426 -3.452 -0.948 1.00 72.50 C ATOM 0 H LEU A 94 7.613 -4.152 -3.488 1.00 30.14 H new ATOM 0 HA LEU A 94 5.699 -2.432 -4.526 1.00 72.42 H new ATOM 0 HB2 LEU A 94 5.250 -4.414 -3.058 1.00 55.41 H new ATOM 0 HB3 LEU A 94 5.950 -3.569 -1.691 1.00 55.41 H new ATOM 0 HG LEU A 94 4.109 -1.780 -2.078 1.00 15.53 H new ATOM 0 HD11 LEU A 94 2.005 -2.578 -3.108 1.00 30.54 H new ATOM 0 HD12 LEU A 94 3.338 -2.458 -4.281 1.00 30.54 H new ATOM 0 HD13 LEU A 94 2.846 -4.049 -3.653 1.00 30.54 H new ATOM 0 HD21 LEU A 94 2.447 -3.024 -0.732 1.00 72.50 H new ATOM 0 HD22 LEU A 94 3.333 -4.532 -1.060 1.00 72.50 H new ATOM 0 HD23 LEU A 94 4.109 -3.230 -0.128 1.00 72.50 H new ATOM 1596 N LEU A 95 7.387 -1.089 -1.996 1.00 72.12 N ATOM 1597 CA LEU A 95 7.776 0.184 -1.353 1.00 4.55 C ATOM 1598 C LEU A 95 8.200 1.238 -2.405 1.00 54.54 C ATOM 1599 O LEU A 95 7.757 2.391 -2.375 1.00 72.33 O ATOM 1600 CB LEU A 95 8.958 -0.035 -0.386 1.00 32.33 C ATOM 1601 CG LEU A 95 9.477 1.278 0.293 1.00 71.22 C ATOM 1602 CD1 LEU A 95 8.566 1.711 1.457 1.00 51.31 C ATOM 1603 CD2 LEU A 95 10.947 1.159 0.712 1.00 11.44 C ATOM 0 H LEU A 95 7.913 -1.897 -1.662 1.00 72.12 H new ATOM 0 HA LEU A 95 6.905 0.545 -0.806 1.00 4.55 H new ATOM 0 HB2 LEU A 95 8.654 -0.737 0.390 1.00 32.33 H new ATOM 0 HB3 LEU A 95 9.780 -0.499 -0.932 1.00 32.33 H new ATOM 0 HG LEU A 95 9.432 2.072 -0.452 1.00 71.22 H new ATOM 0 HD11 LEU A 95 8.957 2.625 1.904 1.00 51.31 H new ATOM 0 HD12 LEU A 95 7.558 1.892 1.083 1.00 51.31 H new ATOM 0 HD13 LEU A 95 8.537 0.923 2.209 1.00 51.31 H new ATOM 0 HD21 LEU A 95 11.269 2.090 1.179 1.00 11.44 H new ATOM 0 HD22 LEU A 95 11.058 0.340 1.422 1.00 11.44 H new ATOM 0 HD23 LEU A 95 11.561 0.963 -0.167 1.00 11.44 H new ATOM 1615 N LYS A 96 9.078 0.804 -3.324 1.00 54.33 N ATOM 1616 CA LYS A 96 9.620 1.663 -4.394 1.00 72.42 C ATOM 1617 C LYS A 96 8.519 2.069 -5.393 1.00 43.21 C ATOM 1618 O LYS A 96 8.550 3.166 -5.917 1.00 70.55 O ATOM 1619 CB LYS A 96 10.790 0.945 -5.110 1.00 61.41 C ATOM 1620 CG LYS A 96 11.927 0.519 -4.157 1.00 44.21 C ATOM 1621 CD LYS A 96 13.130 -0.111 -4.896 1.00 32.42 C ATOM 1622 CE LYS A 96 14.236 -0.556 -3.921 1.00 1.45 C ATOM 1623 NZ LYS A 96 15.458 -1.009 -4.629 1.00 24.23 N ATOM 0 H LYS A 96 9.433 -0.152 -3.348 1.00 54.33 H new ATOM 0 HA LYS A 96 10.002 2.579 -3.943 1.00 72.42 H new ATOM 0 HB2 LYS A 96 10.406 0.063 -5.621 1.00 61.41 H new ATOM 0 HB3 LYS A 96 11.197 1.605 -5.876 1.00 61.41 H new ATOM 0 HG2 LYS A 96 12.268 1.389 -3.595 1.00 44.21 H new ATOM 0 HG3 LYS A 96 11.538 -0.196 -3.432 1.00 44.21 H new ATOM 0 HD2 LYS A 96 12.791 -0.969 -5.476 1.00 32.42 H new ATOM 0 HD3 LYS A 96 13.539 0.610 -5.604 1.00 32.42 H new ATOM 0 HE2 LYS A 96 14.488 0.272 -3.258 1.00 1.45 H new ATOM 0 HE3 LYS A 96 13.861 -1.364 -3.293 1.00 1.45 H new ATOM 0 HZ1 LYS A 96 16.175 -1.299 -3.934 1.00 24.23 H new ATOM 0 HZ2 LYS A 96 15.225 -1.816 -5.243 1.00 24.23 H new ATOM 0 HZ3 LYS A 96 15.832 -0.231 -5.208 1.00 24.23 H new ATOM 1637 N GLN A 97 7.527 1.174 -5.607 1.00 50.44 N ATOM 1638 CA GLN A 97 6.317 1.468 -6.414 1.00 60.01 C ATOM 1639 C GLN A 97 5.480 2.584 -5.756 1.00 42.41 C ATOM 1640 O GLN A 97 4.929 3.439 -6.443 1.00 41.32 O ATOM 1641 CB GLN A 97 5.425 0.196 -6.572 1.00 25.31 C ATOM 1642 CG GLN A 97 6.027 -0.976 -7.378 1.00 63.42 C ATOM 1643 CD GLN A 97 6.178 -0.714 -8.887 1.00 74.52 C ATOM 1644 OE1 GLN A 97 6.440 0.397 -9.337 1.00 11.43 O ATOM 1645 NE2 GLN A 97 5.992 -1.740 -9.687 1.00 61.53 N ATOM 0 H GLN A 97 7.542 0.228 -5.226 1.00 50.44 H new ATOM 0 HA GLN A 97 6.655 1.795 -7.397 1.00 60.01 H new ATOM 0 HB2 GLN A 97 5.173 -0.169 -5.576 1.00 25.31 H new ATOM 0 HB3 GLN A 97 4.491 0.492 -7.048 1.00 25.31 H new ATOM 0 HG2 GLN A 97 7.007 -1.216 -6.966 1.00 63.42 H new ATOM 0 HG3 GLN A 97 5.398 -1.855 -7.238 1.00 63.42 H new ATOM 0 HE21 GLN A 97 5.775 -2.657 -9.298 1.00 61.53 H new ATOM 0 HE22 GLN A 97 6.065 -1.619 -10.697 1.00 61.53 H new ATOM 1654 N LEU A 98 5.389 2.532 -4.411 1.00 11.53 N ATOM 1655 CA LEU A 98 4.634 3.508 -3.591 1.00 53.11 C ATOM 1656 C LEU A 98 5.309 4.904 -3.611 1.00 11.14 C ATOM 1657 O LEU A 98 4.629 5.927 -3.637 1.00 1.43 O ATOM 1658 CB LEU A 98 4.511 2.968 -2.137 1.00 42.13 C ATOM 1659 CG LEU A 98 3.570 3.758 -1.170 1.00 65.34 C ATOM 1660 CD1 LEU A 98 2.109 3.744 -1.669 1.00 51.55 C ATOM 1661 CD2 LEU A 98 3.679 3.210 0.274 1.00 25.33 C ATOM 0 H LEU A 98 5.841 1.805 -3.856 1.00 11.53 H new ATOM 0 HA LEU A 98 3.637 3.630 -4.015 1.00 53.11 H new ATOM 0 HB2 LEU A 98 4.160 1.937 -2.186 1.00 42.13 H new ATOM 0 HB3 LEU A 98 5.508 2.945 -1.697 1.00 42.13 H new ATOM 0 HG LEU A 98 3.898 4.797 -1.159 1.00 65.34 H new ATOM 0 HD11 LEU A 98 1.482 4.302 -0.974 1.00 51.55 H new ATOM 0 HD12 LEU A 98 2.057 4.205 -2.655 1.00 51.55 H new ATOM 0 HD13 LEU A 98 1.755 2.715 -1.731 1.00 51.55 H new ATOM 0 HD21 LEU A 98 3.015 3.775 0.929 1.00 25.33 H new ATOM 0 HD22 LEU A 98 3.392 2.158 0.287 1.00 25.33 H new ATOM 0 HD23 LEU A 98 4.706 3.310 0.625 1.00 25.33 H new ATOM 1673 N GLN A 99 6.655 4.920 -3.611 1.00 1.20 N ATOM 1674 CA GLN A 99 7.456 6.166 -3.745 1.00 61.43 C ATOM 1675 C GLN A 99 7.329 6.768 -5.172 1.00 54.03 C ATOM 1676 O GLN A 99 7.111 7.977 -5.333 1.00 33.22 O ATOM 1677 CB GLN A 99 8.944 5.884 -3.402 1.00 2.04 C ATOM 1678 CG GLN A 99 9.194 5.513 -1.925 1.00 14.12 C ATOM 1679 CD GLN A 99 10.662 5.222 -1.587 1.00 3.12 C ATOM 1680 OE1 GLN A 99 11.583 5.731 -2.222 1.00 22.43 O ATOM 1681 NE2 GLN A 99 10.893 4.430 -0.557 1.00 25.42 N ATOM 0 H GLN A 99 7.222 4.077 -3.519 1.00 1.20 H new ATOM 0 HA GLN A 99 7.064 6.899 -3.040 1.00 61.43 H new ATOM 0 HB2 GLN A 99 9.303 5.072 -4.035 1.00 2.04 H new ATOM 0 HB3 GLN A 99 9.535 6.766 -3.648 1.00 2.04 H new ATOM 0 HG2 GLN A 99 8.843 6.329 -1.293 1.00 14.12 H new ATOM 0 HG3 GLN A 99 8.595 4.637 -1.676 1.00 14.12 H new ATOM 0 HE21 GLN A 99 10.113 4.019 -0.045 1.00 25.42 H new ATOM 0 HE22 GLN A 99 11.852 4.229 -0.273 1.00 25.42 H new ATOM 1690 N GLU A 100 7.454 5.899 -6.195 1.00 34.34 N ATOM 1691 CA GLU A 100 7.276 6.271 -7.622 1.00 4.03 C ATOM 1692 C GLU A 100 5.819 6.667 -7.933 1.00 4.14 C ATOM 1693 O GLU A 100 5.554 7.370 -8.900 1.00 41.04 O ATOM 1694 CB GLU A 100 7.721 5.111 -8.546 1.00 70.14 C ATOM 1695 CG GLU A 100 9.217 4.781 -8.475 1.00 11.14 C ATOM 1696 CD GLU A 100 9.597 3.571 -9.342 1.00 40.54 C ATOM 1697 OE1 GLU A 100 9.503 2.418 -8.861 1.00 52.15 O ATOM 1698 OE2 GLU A 100 9.971 3.758 -10.520 1.00 62.04 O ATOM 0 H GLU A 100 7.682 4.914 -6.059 1.00 34.34 H new ATOM 0 HA GLU A 100 7.906 7.140 -7.812 1.00 4.03 H new ATOM 0 HB2 GLU A 100 7.152 4.218 -8.287 1.00 70.14 H new ATOM 0 HB3 GLU A 100 7.466 5.364 -9.575 1.00 70.14 H new ATOM 0 HG2 GLU A 100 9.792 5.649 -8.797 1.00 11.14 H new ATOM 0 HG3 GLU A 100 9.493 4.582 -7.439 1.00 11.14 H new ATOM 1705 N PHE A 101 4.882 6.179 -7.124 1.00 74.41 N ATOM 1706 CA PHE A 101 3.479 6.627 -7.163 1.00 64.40 C ATOM 1707 C PHE A 101 3.346 8.037 -6.541 1.00 20.23 C ATOM 1708 O PHE A 101 2.736 8.921 -7.140 1.00 15.03 O ATOM 1709 CB PHE A 101 2.558 5.610 -6.440 1.00 43.10 C ATOM 1710 CG PHE A 101 1.087 6.025 -6.396 1.00 54.04 C ATOM 1711 CD1 PHE A 101 0.334 6.108 -7.568 1.00 53.03 C ATOM 1712 CD2 PHE A 101 0.467 6.370 -5.193 1.00 54.41 C ATOM 1713 CE1 PHE A 101 -0.986 6.515 -7.535 1.00 43.21 C ATOM 1714 CE2 PHE A 101 -0.850 6.782 -5.168 1.00 41.14 C ATOM 1715 CZ PHE A 101 -1.576 6.856 -6.339 1.00 23.03 C ATOM 0 H PHE A 101 5.066 5.463 -6.422 1.00 74.41 H new ATOM 0 HA PHE A 101 3.162 6.683 -8.204 1.00 64.40 H new ATOM 0 HB2 PHE A 101 2.638 4.644 -6.939 1.00 43.10 H new ATOM 0 HB3 PHE A 101 2.917 5.472 -5.420 1.00 43.10 H new ATOM 0 HD1 PHE A 101 0.789 5.851 -8.513 1.00 53.03 H new ATOM 0 HD2 PHE A 101 1.025 6.314 -4.270 1.00 54.41 H new ATOM 0 HE1 PHE A 101 -1.557 6.566 -8.451 1.00 43.21 H new ATOM 0 HE2 PHE A 101 -1.314 7.047 -4.229 1.00 41.14 H new ATOM 0 HZ PHE A 101 -2.606 7.181 -6.317 1.00 23.03 H new ATOM 1725 N SER A 102 3.953 8.228 -5.352 1.00 43.33 N ATOM 1726 CA SER A 102 3.864 9.492 -4.565 1.00 32.34 C ATOM 1727 C SER A 102 4.321 10.740 -5.359 1.00 75.50 C ATOM 1728 O SER A 102 3.732 11.818 -5.219 1.00 34.02 O ATOM 1729 CB SER A 102 4.690 9.389 -3.263 1.00 22.43 C ATOM 1730 OG SER A 102 4.173 8.391 -2.406 1.00 25.55 O ATOM 0 H SER A 102 4.523 7.512 -4.902 1.00 43.33 H new ATOM 0 HA SER A 102 2.807 9.620 -4.330 1.00 32.34 H new ATOM 0 HB2 SER A 102 5.728 9.162 -3.505 1.00 22.43 H new ATOM 0 HB3 SER A 102 4.686 10.351 -2.750 1.00 22.43 H new ATOM 0 HG SER A 102 4.314 7.509 -2.809 1.00 25.55 H new ATOM 1736 N GLU A 103 5.375 10.584 -6.184 1.00 52.31 N ATOM 1737 CA GLU A 103 5.898 11.680 -7.039 1.00 1.34 C ATOM 1738 C GLU A 103 4.893 12.062 -8.163 1.00 34.11 C ATOM 1739 O GLU A 103 4.788 13.236 -8.547 1.00 53.30 O ATOM 1740 CB GLU A 103 7.287 11.298 -7.631 1.00 25.22 C ATOM 1741 CG GLU A 103 7.294 10.040 -8.516 1.00 34.33 C ATOM 1742 CD GLU A 103 8.688 9.675 -9.064 1.00 44.22 C ATOM 1743 OE1 GLU A 103 9.431 8.922 -8.394 1.00 21.45 O ATOM 1744 OE2 GLU A 103 9.047 10.141 -10.165 1.00 42.24 O ATOM 0 H GLU A 103 5.886 9.707 -6.280 1.00 52.31 H new ATOM 0 HA GLU A 103 6.025 12.561 -6.410 1.00 1.34 H new ATOM 0 HB2 GLU A 103 7.658 12.138 -8.218 1.00 25.22 H new ATOM 0 HB3 GLU A 103 7.987 11.149 -6.809 1.00 25.22 H new ATOM 0 HG2 GLU A 103 6.908 9.199 -7.940 1.00 34.33 H new ATOM 0 HG3 GLU A 103 6.613 10.192 -9.353 1.00 34.33 H new ATOM 1751 N ASN A 104 4.134 11.062 -8.666 1.00 11.32 N ATOM 1752 CA ASN A 104 3.124 11.272 -9.724 1.00 72.12 C ATOM 1753 C ASN A 104 1.730 11.607 -9.125 1.00 11.31 C ATOM 1754 O ASN A 104 1.359 12.783 -9.053 1.00 31.32 O ATOM 1755 CB ASN A 104 3.056 10.023 -10.650 1.00 25.14 C ATOM 1756 CG ASN A 104 4.287 9.870 -11.548 1.00 24.02 C ATOM 1757 OD1 ASN A 104 4.315 10.349 -12.671 1.00 53.14 O ATOM 1758 ND2 ASN A 104 5.317 9.217 -11.060 1.00 15.15 N ATOM 0 H ASN A 104 4.205 10.094 -8.352 1.00 11.32 H new ATOM 0 HA ASN A 104 3.427 12.132 -10.321 1.00 72.12 H new ATOM 0 HB2 ASN A 104 2.949 9.129 -10.036 1.00 25.14 H new ATOM 0 HB3 ASN A 104 2.165 10.090 -11.274 1.00 25.14 H new ATOM 0 HD21 ASN A 104 6.161 9.102 -11.622 1.00 15.15 H new ATOM 0 HD22 ASN A 104 5.273 8.825 -10.120 1.00 15.15 H new