USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1136 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 48 SER OG : rot 92:sc= 0.53 USER MOD Set 1.2: B 53 TYR OH : rot -115:sc= 0.235 USER MOD Set 2.1: B 23 THR OG1 : rot 76:sc= 1.26 USER MOD Set 2.2: B 67 HIS : no HE2:sc= 0.522 K(o=1.8,f=-5.2!) USER MOD Set 3.1: A 83 ASN : amide:sc= 1.19 K(o=3.5,f=0.42) USER MOD Set 3.2: B 79 TYR OH : rot -139:sc= 1.21 USER MOD Set 3.3: B 83 ASN : amide:sc= 1.06 K(o=3.5,f=-0.9) USER MOD Set 4.1: A 80 TYR OH : rot 130:sc= 1.06 USER MOD Set 4.2: B 21 SER OG : rot -15:sc= 1.24 USER MOD Set 5.1: A 21 SER OG : rot -24:sc= 1.26 USER MOD Set 5.2: B 80 TYR OH : rot 70:sc= 1.09 USER MOD Single : A 23 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 26 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 28 TYR OH : rot 57:sc= 0.105 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 41 GLN : amide:sc= 0.513 K(o=0.51,f=-0.026) USER MOD Single : A 45 TYR OH : rot 51:sc= 0.534 USER MOD Single : A 48 SER OG : rot 97:sc= 0.376 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.2) USER MOD Single : A 62 ASN : amide:sc= 0.678 K(o=0.68,f=-2.9!) USER MOD Single : A 67 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5!) USER MOD Single : A 73 MET CE :methyl -169:sc= -3.93! (180deg=-4.16!) USER MOD Single : A 77 THR OG1 : rot 79:sc= 0.237 USER MOD Single : A 78 LYS NZ :NH3+ -111:sc= 0.0743 (180deg=-2.89!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : B 26 THR OG1 : rot 74:sc= 0.288 USER MOD Single : B 28 TYR OH : rot 150:sc= -1.28 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : B 40 ASN : amide:sc=-0.00767 X(o=-0.0077,f=-0.29) USER MOD Single : B 41 GLN : amide:sc= 0.23 X(o=0.23,f=-0.1) USER MOD Single : B 45 TYR OH : rot 47:sc= 1.18 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 62 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.7) USER MOD Single : B 73 MET CE :methyl 159:sc= -1.57 (180deg=-2.8!) USER MOD Single : B 77 THR OG1 : rot 111:sc= 0.621 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 300 N ALA A 19 13.428 1.232 7.311 1.00 72.11 N ATOM 301 CA ALA A 19 12.414 1.400 8.321 1.00 15.53 C ATOM 302 C ALA A 19 11.061 1.071 7.795 1.00 71.30 C ATOM 303 O ALA A 19 10.225 0.564 8.519 1.00 20.14 O ATOM 304 CB ALA A 19 12.418 2.793 8.844 1.00 43.52 C ATOM 0 HA ALA A 19 12.648 0.710 9.132 1.00 15.53 H new ATOM 0 HB1 ALA A 19 11.645 2.898 9.605 1.00 43.52 H new ATOM 0 HB2 ALA A 19 13.391 3.014 9.282 1.00 43.52 H new ATOM 0 HB3 ALA A 19 12.221 3.488 8.028 1.00 43.52 H new ATOM 310 N ILE A 20 10.843 1.357 6.527 1.00 15.01 N ATOM 311 CA ILE A 20 9.590 1.028 5.879 1.00 34.44 C ATOM 312 C ILE A 20 9.364 -0.481 5.937 1.00 41.31 C ATOM 313 O ILE A 20 8.249 -0.950 6.164 1.00 61.11 O ATOM 314 CB ILE A 20 9.554 1.542 4.409 1.00 34.23 C ATOM 315 CG1 ILE A 20 9.606 3.081 4.391 1.00 65.34 C ATOM 316 CG2 ILE A 20 8.324 1.029 3.676 1.00 75.12 C ATOM 317 CD1 ILE A 20 9.572 3.696 3.004 1.00 21.04 C ATOM 0 H ILE A 20 11.522 1.819 5.922 1.00 15.01 H new ATOM 0 HA ILE A 20 8.783 1.530 6.412 1.00 34.44 H new ATOM 0 HB ILE A 20 10.429 1.156 3.885 1.00 34.23 H new ATOM 0 HG12 ILE A 20 8.765 3.467 4.966 1.00 65.34 H new ATOM 0 HG13 ILE A 20 10.515 3.407 4.897 1.00 65.34 H new ATOM 0 HG21 ILE A 20 8.327 1.405 2.653 1.00 75.12 H new ATOM 0 HG22 ILE A 20 8.337 -0.061 3.662 1.00 75.12 H new ATOM 0 HG23 ILE A 20 7.425 1.375 4.187 1.00 75.12 H new ATOM 0 HD11 ILE A 20 9.612 4.782 3.086 1.00 21.04 H new ATOM 0 HD12 ILE A 20 10.428 3.344 2.429 1.00 21.04 H new ATOM 0 HD13 ILE A 20 8.651 3.405 2.499 1.00 21.04 H new ATOM 329 N SER A 21 10.441 -1.217 5.816 1.00 23.10 N ATOM 330 CA SER A 21 10.375 -2.663 5.846 1.00 1.05 C ATOM 331 C SER A 21 10.160 -3.124 7.292 1.00 53.32 C ATOM 332 O SER A 21 9.252 -3.917 7.588 1.00 3.44 O ATOM 333 CB SER A 21 11.668 -3.250 5.282 1.00 25.44 C ATOM 334 OG SER A 21 11.934 -2.733 3.977 1.00 15.34 O ATOM 0 H SER A 21 11.381 -0.839 5.695 1.00 23.10 H new ATOM 0 HA SER A 21 9.543 -3.010 5.233 1.00 1.05 H new ATOM 0 HB2 SER A 21 12.499 -3.016 5.947 1.00 25.44 H new ATOM 0 HB3 SER A 21 11.591 -4.336 5.239 1.00 25.44 H new ATOM 0 HG SER A 21 11.095 -2.440 3.564 1.00 15.34 H new ATOM 340 N GLU A 22 10.990 -2.573 8.179 1.00 41.43 N ATOM 341 CA GLU A 22 10.968 -2.855 9.610 1.00 31.41 C ATOM 342 C GLU A 22 9.568 -2.591 10.192 1.00 52.25 C ATOM 343 O GLU A 22 9.001 -3.432 10.906 1.00 42.52 O ATOM 344 CB GLU A 22 11.996 -1.938 10.304 1.00 70.33 C ATOM 345 CG GLU A 22 12.208 -2.204 11.787 1.00 64.54 C ATOM 346 CD GLU A 22 12.887 -3.524 12.049 1.00 53.43 C ATOM 347 OE1 GLU A 22 14.114 -3.530 12.316 1.00 24.10 O ATOM 348 OE2 GLU A 22 12.221 -4.576 11.995 1.00 64.33 O ATOM 0 H GLU A 22 11.712 -1.903 7.913 1.00 41.43 H new ATOM 0 HA GLU A 22 11.217 -3.903 9.777 1.00 31.41 H new ATOM 0 HB2 GLU A 22 12.953 -2.041 9.793 1.00 70.33 H new ATOM 0 HB3 GLU A 22 11.678 -0.903 10.179 1.00 70.33 H new ATOM 0 HG2 GLU A 22 12.808 -1.400 12.214 1.00 64.54 H new ATOM 0 HG3 GLU A 22 11.244 -2.188 12.296 1.00 64.54 H new ATOM 355 N THR A 23 9.015 -1.438 9.859 1.00 74.33 N ATOM 356 CA THR A 23 7.724 -1.021 10.354 1.00 52.13 C ATOM 357 C THR A 23 6.618 -1.973 9.894 1.00 43.05 C ATOM 358 O THR A 23 5.872 -2.497 10.718 1.00 34.53 O ATOM 359 CB THR A 23 7.395 0.429 9.902 1.00 24.25 C ATOM 360 OG1 THR A 23 8.441 1.313 10.335 1.00 54.10 O ATOM 361 CG2 THR A 23 6.073 0.905 10.493 1.00 51.40 C ATOM 0 H THR A 23 9.456 -0.764 9.233 1.00 74.33 H new ATOM 0 HA THR A 23 7.771 -1.047 11.443 1.00 52.13 H new ATOM 0 HB THR A 23 7.314 0.435 8.815 1.00 24.25 H new ATOM 0 HG1 THR A 23 9.236 1.177 9.778 1.00 54.10 H new ATOM 0 HG21 THR A 23 5.870 1.922 10.159 1.00 51.40 H new ATOM 0 HG22 THR A 23 5.269 0.247 10.162 1.00 51.40 H new ATOM 0 HG23 THR A 23 6.133 0.886 11.581 1.00 51.40 H new ATOM 369 N LEU A 24 6.548 -2.233 8.592 1.00 54.33 N ATOM 370 CA LEU A 24 5.485 -3.063 8.042 1.00 44.43 C ATOM 371 C LEU A 24 5.525 -4.494 8.564 1.00 21.53 C ATOM 372 O LEU A 24 4.480 -5.090 8.791 1.00 13.53 O ATOM 373 CB LEU A 24 5.463 -3.017 6.515 1.00 22.25 C ATOM 374 CG LEU A 24 5.193 -1.641 5.892 1.00 1.32 C ATOM 375 CD1 LEU A 24 5.197 -1.735 4.383 1.00 42.32 C ATOM 376 CD2 LEU A 24 3.871 -1.064 6.387 1.00 74.15 C ATOM 0 H LEU A 24 7.212 -1.882 7.902 1.00 54.33 H new ATOM 0 HA LEU A 24 4.547 -2.634 8.395 1.00 44.43 H new ATOM 0 HB2 LEU A 24 6.422 -3.380 6.146 1.00 22.25 H new ATOM 0 HB3 LEU A 24 4.701 -3.711 6.160 1.00 22.25 H new ATOM 0 HG LEU A 24 5.992 -0.967 6.202 1.00 1.32 H new ATOM 0 HD11 LEU A 24 5.004 -0.751 3.957 1.00 42.32 H new ATOM 0 HD12 LEU A 24 6.169 -2.093 4.043 1.00 42.32 H new ATOM 0 HD13 LEU A 24 4.421 -2.429 4.060 1.00 42.32 H new ATOM 0 HD21 LEU A 24 3.706 -0.089 5.929 1.00 74.15 H new ATOM 0 HD22 LEU A 24 3.056 -1.735 6.115 1.00 74.15 H new ATOM 0 HD23 LEU A 24 3.905 -0.955 7.471 1.00 74.15 H new ATOM 388 N GLU A 25 6.727 -5.032 8.779 1.00 15.11 N ATOM 389 CA GLU A 25 6.877 -6.368 9.351 1.00 13.25 C ATOM 390 C GLU A 25 6.248 -6.389 10.742 1.00 23.03 C ATOM 391 O GLU A 25 5.462 -7.283 11.084 1.00 53.12 O ATOM 392 CB GLU A 25 8.358 -6.723 9.484 1.00 34.31 C ATOM 393 CG GLU A 25 8.603 -8.119 10.028 1.00 53.30 C ATOM 394 CD GLU A 25 10.053 -8.382 10.323 1.00 62.22 C ATOM 395 OE1 GLU A 25 10.851 -8.489 9.374 1.00 11.41 O ATOM 396 OE2 GLU A 25 10.416 -8.507 11.509 1.00 22.51 O ATOM 0 H GLU A 25 7.607 -4.563 8.566 1.00 15.11 H new ATOM 0 HA GLU A 25 6.387 -7.089 8.697 1.00 13.25 H new ATOM 0 HB2 GLU A 25 8.833 -6.634 8.507 1.00 34.31 H new ATOM 0 HB3 GLU A 25 8.839 -5.997 10.139 1.00 34.31 H new ATOM 0 HG2 GLU A 25 8.021 -8.256 10.939 1.00 53.30 H new ATOM 0 HG3 GLU A 25 8.245 -8.853 9.307 1.00 53.30 H new ATOM 403 N THR A 26 6.586 -5.378 11.515 1.00 65.15 N ATOM 404 CA THR A 26 6.129 -5.234 12.870 1.00 53.23 C ATOM 405 C THR A 26 4.592 -5.069 12.913 1.00 44.40 C ATOM 406 O THR A 26 3.903 -5.766 13.663 1.00 52.02 O ATOM 407 CB THR A 26 6.818 -4.016 13.522 1.00 73.11 C ATOM 408 OG1 THR A 26 8.249 -4.141 13.368 1.00 61.20 O ATOM 409 CG2 THR A 26 6.495 -3.942 14.997 1.00 3.42 C ATOM 0 H THR A 26 7.198 -4.622 11.208 1.00 65.15 H new ATOM 0 HA THR A 26 6.389 -6.134 13.427 1.00 53.23 H new ATOM 0 HB THR A 26 6.456 -3.111 13.033 1.00 73.11 H new ATOM 0 HG1 THR A 26 8.541 -3.623 12.589 1.00 61.20 H new ATOM 0 HG21 THR A 26 6.991 -3.076 15.435 1.00 3.42 H new ATOM 0 HG22 THR A 26 5.417 -3.848 15.129 1.00 3.42 H new ATOM 0 HG23 THR A 26 6.843 -4.849 15.492 1.00 3.42 H new ATOM 417 N VAL A 27 4.069 -4.171 12.072 1.00 52.42 N ATOM 418 CA VAL A 27 2.625 -3.918 12.000 1.00 3.14 C ATOM 419 C VAL A 27 1.885 -5.194 11.568 1.00 13.42 C ATOM 420 O VAL A 27 0.790 -5.500 12.063 1.00 33.31 O ATOM 421 CB VAL A 27 2.291 -2.746 11.016 1.00 3.33 C ATOM 422 CG1 VAL A 27 0.800 -2.479 10.976 1.00 32.24 C ATOM 423 CG2 VAL A 27 3.021 -1.475 11.419 1.00 63.01 C ATOM 0 H VAL A 27 4.625 -3.606 11.430 1.00 52.42 H new ATOM 0 HA VAL A 27 2.291 -3.624 12.995 1.00 3.14 H new ATOM 0 HB VAL A 27 2.624 -3.048 10.023 1.00 3.33 H new ATOM 0 HG11 VAL A 27 0.595 -1.661 10.285 1.00 32.24 H new ATOM 0 HG12 VAL A 27 0.279 -3.376 10.641 1.00 32.24 H new ATOM 0 HG13 VAL A 27 0.452 -2.208 11.973 1.00 32.24 H new ATOM 0 HG21 VAL A 27 2.773 -0.676 10.721 1.00 63.01 H new ATOM 0 HG22 VAL A 27 2.718 -1.185 12.425 1.00 63.01 H new ATOM 0 HG23 VAL A 27 4.096 -1.652 11.401 1.00 63.01 H new ATOM 433 N TYR A 28 2.511 -5.948 10.667 1.00 32.33 N ATOM 434 CA TYR A 28 1.955 -7.201 10.183 1.00 63.03 C ATOM 435 C TYR A 28 1.811 -8.188 11.339 1.00 13.11 C ATOM 436 O TYR A 28 0.740 -8.767 11.541 1.00 24.21 O ATOM 437 CB TYR A 28 2.845 -7.799 9.064 1.00 13.11 C ATOM 438 CG TYR A 28 2.335 -9.109 8.489 1.00 12.35 C ATOM 439 CD1 TYR A 28 2.719 -10.325 9.037 1.00 40.13 C ATOM 440 CD2 TYR A 28 1.461 -9.126 7.409 1.00 22.43 C ATOM 441 CE1 TYR A 28 2.242 -11.516 8.534 1.00 21.20 C ATOM 442 CE2 TYR A 28 0.983 -10.319 6.895 1.00 74.45 C ATOM 443 CZ TYR A 28 1.376 -11.509 7.464 1.00 14.45 C ATOM 444 OH TYR A 28 0.880 -12.699 6.976 1.00 52.12 O ATOM 0 H TYR A 28 3.413 -5.706 10.256 1.00 32.33 H new ATOM 0 HA TYR A 28 0.969 -7.006 9.762 1.00 63.03 H new ATOM 0 HB2 TYR A 28 2.931 -7.071 8.257 1.00 13.11 H new ATOM 0 HB3 TYR A 28 3.848 -7.956 9.460 1.00 13.11 H new ATOM 0 HD1 TYR A 28 3.404 -10.338 9.872 1.00 40.13 H new ATOM 0 HD2 TYR A 28 1.149 -8.193 6.963 1.00 22.43 H new ATOM 0 HE1 TYR A 28 2.547 -12.452 8.978 1.00 21.20 H new ATOM 0 HE2 TYR A 28 0.306 -10.316 6.053 1.00 74.45 H new ATOM 0 HH TYR A 28 0.420 -13.181 7.695 1.00 52.12 H new ATOM 454 N ARG A 29 2.887 -8.356 12.104 1.00 35.04 N ATOM 455 CA ARG A 29 2.897 -9.282 13.240 1.00 1.15 C ATOM 456 C ARG A 29 1.832 -8.939 14.263 1.00 54.41 C ATOM 457 O ARG A 29 1.161 -9.830 14.790 1.00 43.52 O ATOM 458 CB ARG A 29 4.273 -9.337 13.915 1.00 51.21 C ATOM 459 CG ARG A 29 5.385 -9.904 13.044 1.00 54.30 C ATOM 460 CD ARG A 29 5.035 -11.302 12.556 1.00 62.10 C ATOM 461 NE ARG A 29 4.704 -12.216 13.664 1.00 21.52 N ATOM 462 CZ ARG A 29 3.953 -13.318 13.538 1.00 41.15 C ATOM 463 NH1 ARG A 29 3.480 -13.672 12.347 1.00 55.32 N ATOM 464 NH2 ARG A 29 3.691 -14.066 14.600 1.00 50.13 N ATOM 0 H ARG A 29 3.768 -7.862 11.959 1.00 35.04 H new ATOM 0 HA ARG A 29 2.672 -10.268 12.833 1.00 1.15 H new ATOM 0 HB2 ARG A 29 4.551 -8.330 14.226 1.00 51.21 H new ATOM 0 HB3 ARG A 29 4.195 -9.940 14.820 1.00 51.21 H new ATOM 0 HG2 ARG A 29 5.553 -9.248 12.190 1.00 54.30 H new ATOM 0 HG3 ARG A 29 6.316 -9.935 13.610 1.00 54.30 H new ATOM 0 HD2 ARG A 29 4.189 -11.244 11.871 1.00 62.10 H new ATOM 0 HD3 ARG A 29 5.875 -11.708 11.992 1.00 62.10 H new ATOM 0 HE ARG A 29 5.072 -11.994 14.589 1.00 21.52 H new ATOM 0 HH11 ARG A 29 3.689 -13.104 11.526 1.00 55.32 H new ATOM 0 HH12 ARG A 29 2.908 -14.512 12.254 1.00 55.32 H new ATOM 0 HH21 ARG A 29 4.061 -13.803 15.513 1.00 50.13 H new ATOM 0 HH22 ARG A 29 3.119 -14.905 14.504 1.00 50.13 H new ATOM 478 N ALA A 30 1.663 -7.656 14.513 1.00 54.44 N ATOM 479 CA ALA A 30 0.686 -7.175 15.478 1.00 73.52 C ATOM 480 C ALA A 30 -0.730 -7.608 15.095 1.00 10.12 C ATOM 481 O ALA A 30 -1.489 -8.096 15.925 1.00 50.54 O ATOM 482 CB ALA A 30 0.765 -5.659 15.597 1.00 33.10 C ATOM 0 H ALA A 30 2.196 -6.916 14.056 1.00 54.44 H new ATOM 0 HA ALA A 30 0.921 -7.618 16.446 1.00 73.52 H new ATOM 0 HB1 ALA A 30 0.029 -5.312 16.322 1.00 33.10 H new ATOM 0 HB2 ALA A 30 1.763 -5.371 15.927 1.00 33.10 H new ATOM 0 HB3 ALA A 30 0.560 -5.207 14.627 1.00 33.10 H new ATOM 488 N LEU A 31 -1.059 -7.451 13.832 1.00 50.33 N ATOM 489 CA LEU A 31 -2.378 -7.783 13.332 1.00 3.41 C ATOM 490 C LEU A 31 -2.616 -9.283 13.241 1.00 22.50 C ATOM 491 O LEU A 31 -3.746 -9.745 13.427 1.00 63.44 O ATOM 492 CB LEU A 31 -2.640 -7.048 12.025 1.00 43.05 C ATOM 493 CG LEU A 31 -2.755 -5.537 12.199 1.00 41.01 C ATOM 494 CD1 LEU A 31 -2.698 -4.798 10.889 1.00 30.12 C ATOM 495 CD2 LEU A 31 -4.045 -5.208 12.895 1.00 64.45 C ATOM 0 H LEU A 31 -0.422 -7.090 13.122 1.00 50.33 H new ATOM 0 HA LEU A 31 -3.114 -7.436 14.058 1.00 3.41 H new ATOM 0 HB2 LEU A 31 -1.834 -7.266 11.325 1.00 43.05 H new ATOM 0 HB3 LEU A 31 -3.560 -7.427 11.580 1.00 43.05 H new ATOM 0 HG LEU A 31 -1.901 -5.216 12.796 1.00 41.01 H new ATOM 0 HD11 LEU A 31 -2.784 -3.727 11.071 1.00 30.12 H new ATOM 0 HD12 LEU A 31 -1.749 -5.007 10.395 1.00 30.12 H new ATOM 0 HD13 LEU A 31 -3.519 -5.125 10.251 1.00 30.12 H new ATOM 0 HD21 LEU A 31 -4.126 -4.128 13.019 1.00 64.45 H new ATOM 0 HD22 LEU A 31 -4.883 -5.569 12.298 1.00 64.45 H new ATOM 0 HD23 LEU A 31 -4.063 -5.688 13.873 1.00 64.45 H new ATOM 507 N GLU A 32 -1.562 -10.039 12.985 1.00 74.01 N ATOM 508 CA GLU A 32 -1.646 -11.501 12.984 1.00 11.33 C ATOM 509 C GLU A 32 -1.987 -12.000 14.384 1.00 72.34 C ATOM 510 O GLU A 32 -2.899 -12.803 14.571 1.00 22.43 O ATOM 511 CB GLU A 32 -0.319 -12.108 12.531 1.00 74.22 C ATOM 512 CG GLU A 32 0.021 -11.858 11.080 1.00 31.30 C ATOM 513 CD GLU A 32 -0.857 -12.632 10.119 1.00 13.02 C ATOM 514 OE1 GLU A 32 -0.432 -13.722 9.674 1.00 35.22 O ATOM 515 OE2 GLU A 32 -1.959 -12.180 9.786 1.00 1.33 O ATOM 0 H GLU A 32 -0.635 -9.670 12.774 1.00 74.01 H new ATOM 0 HA GLU A 32 -2.429 -11.806 12.290 1.00 11.33 H new ATOM 0 HB2 GLU A 32 0.481 -11.706 13.153 1.00 74.22 H new ATOM 0 HB3 GLU A 32 -0.348 -13.184 12.704 1.00 74.22 H new ATOM 0 HG2 GLU A 32 -0.073 -10.793 10.870 1.00 31.30 H new ATOM 0 HG3 GLU A 32 1.063 -12.126 10.906 1.00 31.30 H new ATOM 522 N GLU A 33 -1.265 -11.485 15.363 1.00 1.22 N ATOM 523 CA GLU A 33 -1.443 -11.868 16.757 1.00 25.52 C ATOM 524 C GLU A 33 -2.757 -11.337 17.341 1.00 2.24 C ATOM 525 O GLU A 33 -3.272 -11.868 18.326 1.00 44.15 O ATOM 526 CB GLU A 33 -0.243 -11.430 17.588 1.00 13.52 C ATOM 527 CG GLU A 33 1.063 -12.102 17.172 1.00 75.25 C ATOM 528 CD GLU A 33 1.008 -13.608 17.319 1.00 43.31 C ATOM 529 OE1 GLU A 33 1.196 -14.104 18.448 1.00 23.22 O ATOM 530 OE2 GLU A 33 0.779 -14.328 16.317 1.00 72.22 O ATOM 0 H GLU A 33 -0.536 -10.787 15.216 1.00 1.22 H new ATOM 0 HA GLU A 33 -1.507 -12.956 16.794 1.00 25.52 H new ATOM 0 HB2 GLU A 33 -0.129 -10.349 17.505 1.00 13.52 H new ATOM 0 HB3 GLU A 33 -0.438 -11.651 18.638 1.00 13.52 H new ATOM 0 HG2 GLU A 33 1.285 -11.848 16.135 1.00 75.25 H new ATOM 0 HG3 GLU A 33 1.880 -11.710 17.778 1.00 75.25 H new ATOM 537 N LYS A 34 -3.277 -10.279 16.759 1.00 3.34 N ATOM 538 CA LYS A 34 -4.567 -9.733 17.180 1.00 34.41 C ATOM 539 C LYS A 34 -5.732 -10.383 16.442 1.00 5.24 C ATOM 540 O LYS A 34 -6.888 -10.186 16.804 1.00 72.20 O ATOM 541 CB LYS A 34 -4.596 -8.219 17.007 1.00 45.44 C ATOM 542 CG LYS A 34 -3.791 -7.461 18.045 1.00 73.51 C ATOM 543 CD LYS A 34 -4.484 -7.449 19.415 1.00 52.15 C ATOM 544 CE LYS A 34 -5.724 -6.567 19.397 1.00 1.20 C ATOM 545 NZ LYS A 34 -6.430 -6.542 20.699 1.00 54.55 N ATOM 0 H LYS A 34 -2.834 -9.773 15.992 1.00 3.34 H new ATOM 0 HA LYS A 34 -4.685 -9.965 18.239 1.00 34.41 H new ATOM 0 HB2 LYS A 34 -4.217 -7.970 16.016 1.00 45.44 H new ATOM 0 HB3 LYS A 34 -5.631 -7.879 17.047 1.00 45.44 H new ATOM 0 HG2 LYS A 34 -2.805 -7.915 18.142 1.00 73.51 H new ATOM 0 HG3 LYS A 34 -3.638 -6.436 17.707 1.00 73.51 H new ATOM 0 HD2 LYS A 34 -4.762 -8.465 19.694 1.00 52.15 H new ATOM 0 HD3 LYS A 34 -3.789 -7.089 20.174 1.00 52.15 H new ATOM 0 HE2 LYS A 34 -5.438 -5.551 19.125 1.00 1.20 H new ATOM 0 HE3 LYS A 34 -6.407 -6.923 18.626 1.00 1.20 H new ATOM 0 HZ1 LYS A 34 -7.266 -5.927 20.629 1.00 54.55 H new ATOM 0 HZ2 LYS A 34 -6.730 -7.506 20.950 1.00 54.55 H new ATOM 0 HZ3 LYS A 34 -5.791 -6.176 21.433 1.00 54.55 H new ATOM 559 N GLY A 35 -5.427 -11.164 15.432 1.00 43.34 N ATOM 560 CA GLY A 35 -6.464 -11.856 14.695 1.00 42.24 C ATOM 561 C GLY A 35 -7.224 -10.955 13.742 1.00 54.23 C ATOM 562 O GLY A 35 -8.442 -11.072 13.607 1.00 44.35 O ATOM 0 H GLY A 35 -4.477 -11.337 15.102 1.00 43.34 H new ATOM 0 HA2 GLY A 35 -6.015 -12.674 14.131 1.00 42.24 H new ATOM 0 HA3 GLY A 35 -7.166 -12.302 15.400 1.00 42.24 H new ATOM 566 N TYR A 36 -6.522 -10.048 13.107 1.00 25.34 N ATOM 567 CA TYR A 36 -7.129 -9.178 12.119 1.00 72.55 C ATOM 568 C TYR A 36 -6.472 -9.451 10.791 1.00 55.15 C ATOM 569 O TYR A 36 -5.617 -10.339 10.697 1.00 63.14 O ATOM 570 CB TYR A 36 -6.957 -7.689 12.472 1.00 30.03 C ATOM 571 CG TYR A 36 -7.569 -7.263 13.786 1.00 61.31 C ATOM 572 CD1 TYR A 36 -6.776 -6.774 14.808 1.00 11.54 C ATOM 573 CD2 TYR A 36 -8.943 -7.331 13.996 1.00 15.22 C ATOM 574 CE1 TYR A 36 -7.328 -6.369 16.010 1.00 31.22 C ATOM 575 CE2 TYR A 36 -9.503 -6.930 15.193 1.00 45.14 C ATOM 576 CZ TYR A 36 -8.688 -6.448 16.200 1.00 52.43 C ATOM 577 OH TYR A 36 -9.236 -6.050 17.409 1.00 2.41 O ATOM 0 H TYR A 36 -5.525 -9.890 13.255 1.00 25.34 H new ATOM 0 HA TYR A 36 -8.199 -9.383 12.087 1.00 72.55 H new ATOM 0 HB2 TYR A 36 -5.892 -7.458 12.494 1.00 30.03 H new ATOM 0 HB3 TYR A 36 -7.396 -7.090 11.674 1.00 30.03 H new ATOM 0 HD1 TYR A 36 -5.708 -6.707 14.665 1.00 11.54 H new ATOM 0 HD2 TYR A 36 -9.582 -7.704 13.209 1.00 15.22 H new ATOM 0 HE1 TYR A 36 -6.693 -5.992 16.798 1.00 31.22 H new ATOM 0 HE2 TYR A 36 -10.571 -6.993 15.341 1.00 45.14 H new ATOM 0 HH TYR A 36 -10.209 -6.167 17.382 1.00 2.41 H new ATOM 587 N ASN A 37 -6.858 -8.717 9.775 1.00 62.44 N ATOM 588 CA ASN A 37 -6.235 -8.838 8.471 1.00 4.15 C ATOM 589 C ASN A 37 -5.258 -7.693 8.271 1.00 12.25 C ATOM 590 O ASN A 37 -5.672 -6.554 7.995 1.00 23.24 O ATOM 591 CB ASN A 37 -7.273 -8.875 7.337 1.00 75.52 C ATOM 592 CG ASN A 37 -8.147 -10.117 7.365 1.00 44.33 C ATOM 593 OD1 ASN A 37 -9.213 -10.129 7.982 1.00 0.01 O ATOM 594 ND2 ASN A 37 -7.709 -11.161 6.707 1.00 42.11 N ATOM 0 H ASN A 37 -7.605 -8.024 9.823 1.00 62.44 H new ATOM 0 HA ASN A 37 -5.698 -9.786 8.436 1.00 4.15 H new ATOM 0 HB2 ASN A 37 -7.907 -7.991 7.405 1.00 75.52 H new ATOM 0 HB3 ASN A 37 -6.756 -8.824 6.379 1.00 75.52 H new ATOM 0 HD21 ASN A 37 -8.256 -12.022 6.694 1.00 42.11 H new ATOM 0 HD22 ASN A 37 -6.821 -11.113 6.208 1.00 42.11 H new ATOM 601 N PRO A 38 -3.936 -7.969 8.470 1.00 22.31 N ATOM 602 CA PRO A 38 -2.873 -6.976 8.374 1.00 61.45 C ATOM 603 C PRO A 38 -2.955 -6.058 7.180 1.00 61.14 C ATOM 604 O PRO A 38 -2.792 -4.854 7.312 1.00 4.10 O ATOM 605 CB PRO A 38 -1.618 -7.822 8.254 1.00 20.21 C ATOM 606 CG PRO A 38 -1.922 -9.051 9.010 1.00 62.12 C ATOM 607 CD PRO A 38 -3.394 -9.289 8.866 1.00 33.23 C ATOM 0 HA PRO A 38 -2.919 -6.305 9.232 1.00 61.45 H new ATOM 0 HB2 PRO A 38 -1.388 -8.045 7.212 1.00 20.21 H new ATOM 0 HB3 PRO A 38 -0.752 -7.306 8.668 1.00 20.21 H new ATOM 0 HG2 PRO A 38 -1.353 -9.896 8.621 1.00 62.12 H new ATOM 0 HG3 PRO A 38 -1.649 -8.938 10.059 1.00 62.12 H new ATOM 0 HD2 PRO A 38 -3.603 -10.048 8.112 1.00 33.23 H new ATOM 0 HD3 PRO A 38 -3.835 -9.637 9.800 1.00 33.23 H new ATOM 615 N ILE A 39 -3.273 -6.604 6.044 1.00 52.43 N ATOM 616 CA ILE A 39 -3.246 -5.841 4.831 1.00 2.42 C ATOM 617 C ILE A 39 -4.364 -4.841 4.779 1.00 35.44 C ATOM 618 O ILE A 39 -4.122 -3.683 4.501 1.00 3.13 O ATOM 619 CB ILE A 39 -3.255 -6.744 3.587 1.00 72.54 C ATOM 620 CG1 ILE A 39 -2.077 -7.724 3.655 1.00 33.13 C ATOM 621 CG2 ILE A 39 -3.181 -5.907 2.307 1.00 73.43 C ATOM 622 CD1 ILE A 39 -0.710 -7.063 3.726 1.00 73.52 C ATOM 0 H ILE A 39 -3.555 -7.578 5.931 1.00 52.43 H new ATOM 0 HA ILE A 39 -2.307 -5.288 4.828 1.00 2.42 H new ATOM 0 HB ILE A 39 -4.189 -7.306 3.567 1.00 72.54 H new ATOM 0 HG12 ILE A 39 -2.203 -8.364 4.529 1.00 33.13 H new ATOM 0 HG13 ILE A 39 -2.108 -8.371 2.779 1.00 33.13 H new ATOM 0 HG21 ILE A 39 -3.189 -6.567 1.440 1.00 73.43 H new ATOM 0 HG22 ILE A 39 -4.039 -5.237 2.260 1.00 73.43 H new ATOM 0 HG23 ILE A 39 -2.262 -5.320 2.308 1.00 73.43 H new ATOM 0 HD11 ILE A 39 0.063 -7.830 3.771 1.00 73.52 H new ATOM 0 HD12 ILE A 39 -0.558 -6.446 2.840 1.00 73.52 H new ATOM 0 HD13 ILE A 39 -0.654 -6.438 4.617 1.00 73.52 H new ATOM 634 N ASN A 40 -5.570 -5.270 5.108 1.00 54.23 N ATOM 635 CA ASN A 40 -6.742 -4.394 5.045 1.00 72.24 C ATOM 636 C ASN A 40 -6.626 -3.225 6.005 1.00 21.43 C ATOM 637 O ASN A 40 -7.114 -2.124 5.726 1.00 72.14 O ATOM 638 CB ASN A 40 -8.033 -5.165 5.284 1.00 24.10 C ATOM 639 CG ASN A 40 -8.240 -6.250 4.252 1.00 22.53 C ATOM 640 OD1 ASN A 40 -7.820 -7.393 4.449 1.00 61.32 O ATOM 641 ND2 ASN A 40 -8.853 -5.910 3.144 1.00 53.41 N ATOM 0 H ASN A 40 -5.770 -6.219 5.423 1.00 54.23 H new ATOM 0 HA ASN A 40 -6.777 -3.988 4.034 1.00 72.24 H new ATOM 0 HB2 ASN A 40 -8.012 -5.610 6.279 1.00 24.10 H new ATOM 0 HB3 ASN A 40 -8.877 -4.476 5.261 1.00 24.10 H new ATOM 0 HD21 ASN A 40 -8.997 -6.601 2.408 1.00 53.41 H new ATOM 0 HD22 ASN A 40 -9.186 -4.954 3.018 1.00 53.41 H new ATOM 648 N GLN A 41 -5.977 -3.451 7.129 1.00 51.35 N ATOM 649 CA GLN A 41 -5.739 -2.385 8.082 1.00 3.01 C ATOM 650 C GLN A 41 -4.649 -1.437 7.556 1.00 11.30 C ATOM 651 O GLN A 41 -4.796 -0.215 7.612 1.00 11.41 O ATOM 652 CB GLN A 41 -5.354 -2.948 9.448 1.00 1.33 C ATOM 653 CG GLN A 41 -6.407 -3.875 10.074 1.00 51.34 C ATOM 654 CD GLN A 41 -7.746 -3.193 10.370 1.00 60.15 C ATOM 655 OE1 GLN A 41 -8.799 -3.830 10.323 1.00 63.03 O ATOM 656 NE2 GLN A 41 -7.718 -1.929 10.715 1.00 53.34 N ATOM 0 H GLN A 41 -5.606 -4.360 7.405 1.00 51.35 H new ATOM 0 HA GLN A 41 -6.663 -1.820 8.204 1.00 3.01 H new ATOM 0 HB2 GLN A 41 -4.417 -3.497 9.350 1.00 1.33 H new ATOM 0 HB3 GLN A 41 -5.167 -2.118 10.130 1.00 1.33 H new ATOM 0 HG2 GLN A 41 -6.581 -4.715 9.402 1.00 51.34 H new ATOM 0 HG3 GLN A 41 -6.008 -4.286 11.002 1.00 51.34 H new ATOM 0 HE21 GLN A 41 -6.830 -1.428 10.745 1.00 53.34 H new ATOM 0 HE22 GLN A 41 -8.584 -1.446 10.954 1.00 53.34 H new ATOM 665 N ILE A 42 -3.565 -2.017 7.022 1.00 53.55 N ATOM 666 CA ILE A 42 -2.449 -1.236 6.475 1.00 60.40 C ATOM 667 C ILE A 42 -2.882 -0.401 5.262 1.00 51.32 C ATOM 668 O ILE A 42 -2.635 0.807 5.225 1.00 1.13 O ATOM 669 CB ILE A 42 -1.209 -2.129 6.125 1.00 33.02 C ATOM 670 CG1 ILE A 42 -0.627 -2.764 7.400 1.00 72.54 C ATOM 671 CG2 ILE A 42 -0.135 -1.323 5.393 1.00 11.24 C ATOM 672 CD1 ILE A 42 0.545 -3.702 7.152 1.00 4.24 C ATOM 0 H ILE A 42 -3.438 -3.027 6.958 1.00 53.55 H new ATOM 0 HA ILE A 42 -2.140 -0.550 7.263 1.00 60.40 H new ATOM 0 HB ILE A 42 -1.545 -2.924 5.459 1.00 33.02 H new ATOM 0 HG12 ILE A 42 -0.306 -1.970 8.074 1.00 72.54 H new ATOM 0 HG13 ILE A 42 -1.417 -3.315 7.911 1.00 72.54 H new ATOM 0 HG21 ILE A 42 0.712 -1.970 5.164 1.00 11.24 H new ATOM 0 HG22 ILE A 42 -0.548 -0.924 4.467 1.00 11.24 H new ATOM 0 HG23 ILE A 42 0.197 -0.500 6.026 1.00 11.24 H new ATOM 0 HD11 ILE A 42 0.895 -4.106 8.102 1.00 4.24 H new ATOM 0 HD12 ILE A 42 0.226 -4.520 6.505 1.00 4.24 H new ATOM 0 HD13 ILE A 42 1.355 -3.153 6.671 1.00 4.24 H new ATOM 684 N VAL A 43 -3.550 -1.033 4.289 1.00 34.32 N ATOM 685 CA VAL A 43 -4.035 -0.310 3.104 1.00 63.11 C ATOM 686 C VAL A 43 -4.974 0.832 3.526 1.00 13.40 C ATOM 687 O VAL A 43 -4.910 1.938 2.980 1.00 73.52 O ATOM 688 CB VAL A 43 -4.703 -1.263 2.022 1.00 25.10 C ATOM 689 CG1 VAL A 43 -5.824 -2.072 2.614 1.00 42.40 C ATOM 690 CG2 VAL A 43 -5.251 -0.467 0.857 1.00 30.11 C ATOM 0 H VAL A 43 -3.766 -2.030 4.296 1.00 34.32 H new ATOM 0 HA VAL A 43 -3.166 0.122 2.609 1.00 63.11 H new ATOM 0 HB VAL A 43 -3.918 -1.934 1.674 1.00 25.10 H new ATOM 0 HG11 VAL A 43 -6.257 -2.712 1.845 1.00 42.40 H new ATOM 0 HG12 VAL A 43 -5.438 -2.690 3.425 1.00 42.40 H new ATOM 0 HG13 VAL A 43 -6.591 -1.402 3.002 1.00 42.40 H new ATOM 0 HG21 VAL A 43 -5.702 -1.145 0.133 1.00 30.11 H new ATOM 0 HG22 VAL A 43 -6.005 0.233 1.217 1.00 30.11 H new ATOM 0 HG23 VAL A 43 -4.441 0.086 0.381 1.00 30.11 H new ATOM 700 N GLY A 44 -5.785 0.569 4.552 1.00 14.41 N ATOM 701 CA GLY A 44 -6.672 1.572 5.086 1.00 32.12 C ATOM 702 C GLY A 44 -5.908 2.760 5.651 1.00 15.32 C ATOM 703 O GLY A 44 -6.306 3.912 5.447 1.00 24.43 O ATOM 0 H GLY A 44 -5.837 -0.335 5.022 1.00 14.41 H new ATOM 0 HA2 GLY A 44 -7.348 1.914 4.302 1.00 32.12 H new ATOM 0 HA3 GLY A 44 -7.289 1.131 5.869 1.00 32.12 H new ATOM 707 N TYR A 45 -4.805 2.486 6.358 1.00 35.01 N ATOM 708 CA TYR A 45 -3.977 3.550 6.914 1.00 34.10 C ATOM 709 C TYR A 45 -3.326 4.360 5.819 1.00 51.11 C ATOM 710 O TYR A 45 -3.483 5.565 5.775 1.00 51.41 O ATOM 711 CB TYR A 45 -2.892 3.032 7.893 1.00 31.20 C ATOM 712 CG TYR A 45 -1.961 4.148 8.404 1.00 62.01 C ATOM 713 CD1 TYR A 45 -0.734 4.402 7.795 1.00 52.02 C ATOM 714 CD2 TYR A 45 -2.323 4.952 9.469 1.00 4.43 C ATOM 715 CE1 TYR A 45 0.094 5.409 8.233 1.00 24.41 C ATOM 716 CE2 TYR A 45 -1.496 5.973 9.913 1.00 5.14 C ATOM 717 CZ TYR A 45 -0.292 6.193 9.288 1.00 2.33 C ATOM 718 OH TYR A 45 0.532 7.204 9.718 1.00 73.43 O ATOM 0 H TYR A 45 -4.471 1.542 6.555 1.00 35.01 H new ATOM 0 HA TYR A 45 -4.655 4.184 7.486 1.00 34.10 H new ATOM 0 HB2 TYR A 45 -3.377 2.553 8.744 1.00 31.20 H new ATOM 0 HB3 TYR A 45 -2.295 2.268 7.394 1.00 31.20 H new ATOM 0 HD1 TYR A 45 -0.425 3.793 6.958 1.00 52.02 H new ATOM 0 HD2 TYR A 45 -3.267 4.782 9.964 1.00 4.43 H new ATOM 0 HE1 TYR A 45 1.043 5.581 7.748 1.00 24.41 H new ATOM 0 HE2 TYR A 45 -1.797 6.592 10.745 1.00 5.14 H new ATOM 0 HH TYR A 45 0.801 7.755 8.953 1.00 73.43 H new ATOM 728 N LEU A 46 -2.610 3.703 4.934 1.00 62.15 N ATOM 729 CA LEU A 46 -1.887 4.405 3.882 1.00 13.41 C ATOM 730 C LEU A 46 -2.784 5.186 2.950 1.00 11.50 C ATOM 731 O LEU A 46 -2.401 6.225 2.465 1.00 43.40 O ATOM 732 CB LEU A 46 -0.881 3.543 3.110 1.00 22.03 C ATOM 733 CG LEU A 46 0.400 3.113 3.853 1.00 21.34 C ATOM 734 CD1 LEU A 46 0.121 2.139 4.968 1.00 64.35 C ATOM 735 CD2 LEU A 46 1.397 2.530 2.887 1.00 3.44 C ATOM 0 H LEU A 46 -2.509 2.688 4.916 1.00 62.15 H new ATOM 0 HA LEU A 46 -1.289 5.132 4.431 1.00 13.41 H new ATOM 0 HB2 LEU A 46 -1.396 2.642 2.776 1.00 22.03 H new ATOM 0 HB3 LEU A 46 -0.584 4.091 2.216 1.00 22.03 H new ATOM 0 HG LEU A 46 0.820 4.010 4.308 1.00 21.34 H new ATOM 0 HD11 LEU A 46 1.057 1.869 5.458 1.00 64.35 H new ATOM 0 HD12 LEU A 46 -0.549 2.599 5.694 1.00 64.35 H new ATOM 0 HD13 LEU A 46 -0.347 1.243 4.560 1.00 64.35 H new ATOM 0 HD21 LEU A 46 2.295 2.232 3.427 1.00 3.44 H new ATOM 0 HD22 LEU A 46 0.962 1.659 2.397 1.00 3.44 H new ATOM 0 HD23 LEU A 46 1.656 3.277 2.137 1.00 3.44 H new ATOM 747 N LEU A 47 -3.958 4.696 2.690 1.00 33.40 N ATOM 748 CA LEU A 47 -4.849 5.421 1.814 1.00 65.51 C ATOM 749 C LEU A 47 -5.619 6.529 2.545 1.00 31.53 C ATOM 750 O LEU A 47 -6.352 7.282 1.910 1.00 53.14 O ATOM 751 CB LEU A 47 -5.817 4.485 1.082 1.00 64.44 C ATOM 752 CG LEU A 47 -5.180 3.397 0.207 1.00 31.44 C ATOM 753 CD1 LEU A 47 -6.245 2.619 -0.541 1.00 2.20 C ATOM 754 CD2 LEU A 47 -4.165 3.990 -0.757 1.00 73.52 C ATOM 0 H LEU A 47 -4.323 3.818 3.059 1.00 33.40 H new ATOM 0 HA LEU A 47 -4.214 5.901 1.070 1.00 65.51 H new ATOM 0 HB2 LEU A 47 -6.451 4.000 1.824 1.00 64.44 H new ATOM 0 HB3 LEU A 47 -6.469 5.091 0.453 1.00 64.44 H new ATOM 0 HG LEU A 47 -4.650 2.707 0.863 1.00 31.44 H new ATOM 0 HD11 LEU A 47 -5.772 1.853 -1.155 1.00 2.20 H new ATOM 0 HD12 LEU A 47 -6.919 2.146 0.173 1.00 2.20 H new ATOM 0 HD13 LEU A 47 -6.810 3.298 -1.179 1.00 2.20 H new ATOM 0 HD21 LEU A 47 -3.731 3.195 -1.363 1.00 73.52 H new ATOM 0 HD22 LEU A 47 -4.659 4.713 -1.406 1.00 73.52 H new ATOM 0 HD23 LEU A 47 -3.376 4.488 -0.194 1.00 73.52 H new ATOM 766 N SER A 48 -5.443 6.649 3.866 1.00 24.31 N ATOM 767 CA SER A 48 -6.202 7.655 4.615 1.00 45.11 C ATOM 768 C SER A 48 -5.326 8.573 5.506 1.00 41.14 C ATOM 769 O SER A 48 -5.719 9.709 5.811 1.00 51.45 O ATOM 770 CB SER A 48 -7.254 6.954 5.466 1.00 2.33 C ATOM 771 OG SER A 48 -8.067 6.117 4.653 1.00 70.15 O ATOM 0 H SER A 48 -4.804 6.082 4.423 1.00 24.31 H new ATOM 0 HA SER A 48 -6.666 8.311 3.879 1.00 45.11 H new ATOM 0 HB2 SER A 48 -6.769 6.360 6.241 1.00 2.33 H new ATOM 0 HB3 SER A 48 -7.874 7.694 5.973 1.00 2.33 H new ATOM 0 HG SER A 48 -7.736 5.196 4.698 1.00 70.15 H new ATOM 777 N GLY A 49 -4.151 8.092 5.905 1.00 20.20 N ATOM 778 CA GLY A 49 -3.311 8.832 6.831 1.00 23.25 C ATOM 779 C GLY A 49 -3.948 8.905 8.215 1.00 75.40 C ATOM 780 O GLY A 49 -3.713 9.844 8.970 1.00 33.11 O ATOM 0 H GLY A 49 -3.764 7.198 5.601 1.00 20.20 H new ATOM 0 HA2 GLY A 49 -2.334 8.354 6.902 1.00 23.25 H new ATOM 0 HA3 GLY A 49 -3.145 9.840 6.450 1.00 23.25 H new ATOM 784 N ASP A 50 -4.749 7.907 8.546 1.00 72.21 N ATOM 785 CA ASP A 50 -5.478 7.919 9.805 1.00 74.34 C ATOM 786 C ASP A 50 -4.987 6.798 10.715 1.00 42.34 C ATOM 787 O ASP A 50 -5.103 5.618 10.370 1.00 31.52 O ATOM 788 CB ASP A 50 -6.969 7.770 9.556 1.00 44.40 C ATOM 789 CG ASP A 50 -7.780 7.943 10.815 1.00 33.53 C ATOM 790 OD1 ASP A 50 -8.371 9.011 11.005 1.00 10.11 O ATOM 791 OD2 ASP A 50 -7.837 7.027 11.634 1.00 13.22 O ATOM 0 H ASP A 50 -4.911 7.083 7.966 1.00 72.21 H new ATOM 0 HA ASP A 50 -5.298 8.875 10.297 1.00 74.34 H new ATOM 0 HB2 ASP A 50 -7.287 8.506 8.818 1.00 44.40 H new ATOM 0 HB3 ASP A 50 -7.167 6.786 9.131 1.00 44.40 H new ATOM 796 N PRO A 51 -4.444 7.155 11.891 1.00 13.11 N ATOM 797 CA PRO A 51 -3.846 6.198 12.841 1.00 63.04 C ATOM 798 C PRO A 51 -4.799 5.120 13.378 1.00 72.21 C ATOM 799 O PRO A 51 -4.346 4.044 13.771 1.00 1.42 O ATOM 800 CB PRO A 51 -3.308 7.072 13.977 1.00 42.32 C ATOM 801 CG PRO A 51 -4.023 8.373 13.850 1.00 34.03 C ATOM 802 CD PRO A 51 -4.352 8.544 12.396 1.00 44.40 C ATOM 0 HA PRO A 51 -3.081 5.611 12.333 1.00 63.04 H new ATOM 0 HB2 PRO A 51 -3.496 6.614 14.948 1.00 42.32 H new ATOM 0 HB3 PRO A 51 -2.230 7.207 13.892 1.00 42.32 H new ATOM 0 HG2 PRO A 51 -4.930 8.377 14.455 1.00 34.03 H new ATOM 0 HG3 PRO A 51 -3.399 9.194 14.205 1.00 34.03 H new ATOM 0 HD2 PRO A 51 -5.289 9.083 12.258 1.00 44.40 H new ATOM 0 HD3 PRO A 51 -3.580 9.109 11.874 1.00 44.40 H new ATOM 810 N ALA A 52 -6.111 5.390 13.378 1.00 64.31 N ATOM 811 CA ALA A 52 -7.100 4.449 13.939 1.00 54.45 C ATOM 812 C ALA A 52 -7.155 3.132 13.170 1.00 64.22 C ATOM 813 O ALA A 52 -7.772 2.163 13.622 1.00 2.45 O ATOM 814 CB ALA A 52 -8.483 5.074 14.029 1.00 54.35 C ATOM 0 H ALA A 52 -6.515 6.247 12.999 1.00 64.31 H new ATOM 0 HA ALA A 52 -6.762 4.221 14.950 1.00 54.45 H new ATOM 0 HB1 ALA A 52 -9.183 4.350 14.447 1.00 54.35 H new ATOM 0 HB2 ALA A 52 -8.444 5.953 14.672 1.00 54.35 H new ATOM 0 HB3 ALA A 52 -8.815 5.367 13.033 1.00 54.35 H new ATOM 820 N TYR A 53 -6.535 3.097 12.003 1.00 75.02 N ATOM 821 CA TYR A 53 -6.457 1.885 11.227 1.00 73.55 C ATOM 822 C TYR A 53 -5.510 0.856 11.825 1.00 62.14 C ATOM 823 O TYR A 53 -5.595 -0.331 11.500 1.00 40.01 O ATOM 824 CB TYR A 53 -6.135 2.168 9.775 1.00 75.22 C ATOM 825 CG TYR A 53 -7.324 2.714 9.056 1.00 73.23 C ATOM 826 CD1 TYR A 53 -8.282 1.851 8.579 1.00 65.10 C ATOM 827 CD2 TYR A 53 -7.510 4.072 8.875 1.00 32.41 C ATOM 828 CE1 TYR A 53 -9.394 2.306 7.939 1.00 13.14 C ATOM 829 CE2 TYR A 53 -8.629 4.549 8.225 1.00 61.20 C ATOM 830 CZ TYR A 53 -9.572 3.657 7.758 1.00 32.54 C ATOM 831 OH TYR A 53 -10.702 4.118 7.111 1.00 74.30 O ATOM 0 H TYR A 53 -6.078 3.902 11.576 1.00 75.02 H new ATOM 0 HA TYR A 53 -7.451 1.438 11.262 1.00 73.55 H new ATOM 0 HB2 TYR A 53 -5.311 2.879 9.714 1.00 75.22 H new ATOM 0 HB3 TYR A 53 -5.801 1.252 9.288 1.00 75.22 H new ATOM 0 HD1 TYR A 53 -8.149 0.788 8.715 1.00 65.10 H new ATOM 0 HD2 TYR A 53 -6.771 4.767 9.247 1.00 32.41 H new ATOM 0 HE1 TYR A 53 -10.134 1.608 7.575 1.00 13.14 H new ATOM 0 HE2 TYR A 53 -8.766 5.611 8.083 1.00 61.20 H new ATOM 0 HH TYR A 53 -10.677 5.097 7.066 1.00 74.30 H new ATOM 841 N ILE A 54 -4.612 1.291 12.693 1.00 61.42 N ATOM 842 CA ILE A 54 -3.717 0.368 13.355 1.00 54.01 C ATOM 843 C ILE A 54 -4.085 0.288 14.839 1.00 72.12 C ATOM 844 O ILE A 54 -4.038 1.296 15.556 1.00 71.11 O ATOM 845 CB ILE A 54 -2.214 0.766 13.200 1.00 20.24 C ATOM 846 CG1 ILE A 54 -1.856 0.957 11.713 1.00 12.24 C ATOM 847 CG2 ILE A 54 -1.306 -0.298 13.832 1.00 64.53 C ATOM 848 CD1 ILE A 54 -2.100 -0.265 10.835 1.00 53.34 C ATOM 0 H ILE A 54 -4.487 2.270 12.952 1.00 61.42 H new ATOM 0 HA ILE A 54 -3.836 -0.605 12.878 1.00 54.01 H new ATOM 0 HB ILE A 54 -2.056 1.711 13.720 1.00 20.24 H new ATOM 0 HG12 ILE A 54 -2.435 1.792 11.319 1.00 12.24 H new ATOM 0 HG13 ILE A 54 -0.805 1.236 11.640 1.00 12.24 H new ATOM 0 HG21 ILE A 54 -0.263 -0.003 13.714 1.00 64.53 H new ATOM 0 HG22 ILE A 54 -1.539 -0.392 14.893 1.00 64.53 H new ATOM 0 HG23 ILE A 54 -1.470 -1.256 13.339 1.00 64.53 H new ATOM 0 HD11 ILE A 54 -1.819 -0.036 9.807 1.00 53.34 H new ATOM 0 HD12 ILE A 54 -1.500 -1.099 11.198 1.00 53.34 H new ATOM 0 HD13 ILE A 54 -3.156 -0.534 10.872 1.00 53.34 H new ATOM 860 N PRO A 55 -4.497 -0.902 15.309 1.00 42.22 N ATOM 861 CA PRO A 55 -4.879 -1.114 16.704 1.00 73.21 C ATOM 862 C PRO A 55 -3.696 -0.960 17.662 1.00 55.43 C ATOM 863 O PRO A 55 -2.522 -1.089 17.276 1.00 14.45 O ATOM 864 CB PRO A 55 -5.406 -2.552 16.725 1.00 63.34 C ATOM 865 CG PRO A 55 -4.777 -3.198 15.558 1.00 74.51 C ATOM 866 CD PRO A 55 -4.628 -2.127 14.517 1.00 73.44 C ATOM 0 HA PRO A 55 -5.611 -0.379 17.038 1.00 73.21 H new ATOM 0 HB2 PRO A 55 -5.136 -3.059 17.651 1.00 63.34 H new ATOM 0 HB3 PRO A 55 -6.493 -2.576 16.653 1.00 63.34 H new ATOM 0 HG2 PRO A 55 -3.808 -3.621 15.823 1.00 74.51 H new ATOM 0 HG3 PRO A 55 -5.393 -4.018 15.188 1.00 74.51 H new ATOM 0 HD2 PRO A 55 -3.753 -2.295 13.889 1.00 73.44 H new ATOM 0 HD3 PRO A 55 -5.493 -2.087 13.855 1.00 73.44 H new ATOM 874 N ARG A 56 -4.002 -0.740 18.905 1.00 30.42 N ATOM 875 CA ARG A 56 -2.994 -0.476 19.897 1.00 1.44 C ATOM 876 C ARG A 56 -2.619 -1.730 20.672 1.00 53.54 C ATOM 877 O ARG A 56 -2.984 -1.912 21.828 1.00 64.25 O ATOM 878 CB ARG A 56 -3.319 0.743 20.832 1.00 2.22 C ATOM 879 CG ARG A 56 -4.707 0.736 21.509 1.00 1.15 C ATOM 880 CD ARG A 56 -5.831 1.085 20.528 1.00 33.22 C ATOM 881 NE ARG A 56 -7.158 0.960 21.125 1.00 41.50 N ATOM 882 CZ ARG A 56 -8.304 1.289 20.516 1.00 54.41 C ATOM 883 NH1 ARG A 56 -8.282 1.824 19.291 1.00 51.42 N ATOM 884 NH2 ARG A 56 -9.465 1.099 21.135 1.00 11.33 N ATOM 0 H ARG A 56 -4.957 -0.738 19.264 1.00 30.42 H new ATOM 0 HA ARG A 56 -2.109 -0.166 19.341 1.00 1.44 H new ATOM 0 HB2 ARG A 56 -2.559 0.788 21.612 1.00 2.22 H new ATOM 0 HB3 ARG A 56 -3.229 1.657 20.245 1.00 2.22 H new ATOM 0 HG2 ARG A 56 -4.895 -0.248 21.939 1.00 1.15 H new ATOM 0 HG3 ARG A 56 -4.711 1.450 22.333 1.00 1.15 H new ATOM 0 HD2 ARG A 56 -5.692 2.105 20.171 1.00 33.22 H new ATOM 0 HD3 ARG A 56 -5.765 0.431 19.658 1.00 33.22 H new ATOM 0 HE ARG A 56 -7.216 0.595 22.076 1.00 41.50 H new ATOM 0 HH11 ARG A 56 -7.391 1.982 18.819 1.00 51.42 H new ATOM 0 HH12 ARG A 56 -9.156 2.074 18.828 1.00 51.42 H new ATOM 0 HH21 ARG A 56 -9.483 0.702 22.075 1.00 11.33 H new ATOM 0 HH22 ARG A 56 -10.338 1.350 20.670 1.00 11.33 H new ATOM 898 N TYR A 57 -1.977 -2.629 19.970 1.00 63.25 N ATOM 899 CA TYR A 57 -1.470 -3.859 20.543 1.00 44.21 C ATOM 900 C TYR A 57 0.013 -3.756 20.816 1.00 13.24 C ATOM 901 O TYR A 57 0.520 -4.281 21.818 1.00 75.23 O ATOM 902 CB TYR A 57 -1.736 -5.022 19.578 1.00 11.20 C ATOM 903 CG TYR A 57 -1.040 -6.332 19.937 1.00 44.14 C ATOM 904 CD1 TYR A 57 -1.484 -7.124 20.982 1.00 14.32 C ATOM 905 CD2 TYR A 57 0.068 -6.763 19.215 1.00 61.23 C ATOM 906 CE1 TYR A 57 -0.849 -8.308 21.300 1.00 60.32 C ATOM 907 CE2 TYR A 57 0.709 -7.941 19.525 1.00 60.35 C ATOM 908 CZ TYR A 57 0.245 -8.713 20.567 1.00 4.15 C ATOM 909 OH TYR A 57 0.883 -9.893 20.879 1.00 60.11 O ATOM 0 H TYR A 57 -1.787 -2.530 18.973 1.00 63.25 H new ATOM 0 HA TYR A 57 -1.983 -4.037 21.488 1.00 44.21 H new ATOM 0 HB2 TYR A 57 -2.811 -5.199 19.535 1.00 11.20 H new ATOM 0 HB3 TYR A 57 -1.421 -4.723 18.578 1.00 11.20 H new ATOM 0 HD1 TYR A 57 -2.342 -6.810 21.558 1.00 14.32 H new ATOM 0 HD2 TYR A 57 0.432 -6.162 18.395 1.00 61.23 H new ATOM 0 HE1 TYR A 57 -1.208 -8.914 22.119 1.00 60.32 H new ATOM 0 HE2 TYR A 57 1.570 -8.258 18.955 1.00 60.35 H new ATOM 0 HH TYR A 57 1.634 -10.031 20.265 1.00 60.11 H new ATOM 919 N GLN A 58 0.701 -3.068 19.953 1.00 43.43 N ATOM 920 CA GLN A 58 2.130 -3.018 20.007 1.00 11.33 C ATOM 921 C GLN A 58 2.565 -1.599 19.680 1.00 62.42 C ATOM 922 O GLN A 58 1.751 -0.792 19.211 1.00 34.11 O ATOM 923 CB GLN A 58 2.676 -3.990 18.941 1.00 43.33 C ATOM 924 CG GLN A 58 4.153 -4.307 19.031 1.00 40.13 C ATOM 925 CD GLN A 58 4.615 -5.183 17.895 1.00 43.12 C ATOM 926 OE1 GLN A 58 4.079 -5.123 16.805 1.00 24.41 O ATOM 927 NE2 GLN A 58 5.606 -5.990 18.141 1.00 41.30 N ATOM 0 H GLN A 58 0.287 -2.527 19.194 1.00 43.43 H new ATOM 0 HA GLN A 58 2.504 -3.298 20.992 1.00 11.33 H new ATOM 0 HB2 GLN A 58 2.119 -4.924 19.009 1.00 43.33 H new ATOM 0 HB3 GLN A 58 2.474 -3.570 17.956 1.00 43.33 H new ATOM 0 HG2 GLN A 58 4.724 -3.378 19.027 1.00 40.13 H new ATOM 0 HG3 GLN A 58 4.360 -4.804 19.979 1.00 40.13 H new ATOM 0 HE21 GLN A 58 6.029 -6.010 19.069 1.00 41.30 H new ATOM 0 HE22 GLN A 58 5.960 -6.602 17.406 1.00 41.30 H new ATOM 936 N ASP A 59 3.840 -1.313 19.889 1.00 1.34 N ATOM 937 CA ASP A 59 4.456 -0.014 19.573 1.00 63.42 C ATOM 938 C ASP A 59 4.371 0.303 18.079 1.00 24.14 C ATOM 939 O ASP A 59 4.646 1.424 17.659 1.00 2.41 O ATOM 940 CB ASP A 59 5.911 0.064 20.080 1.00 72.24 C ATOM 941 CG ASP A 59 6.828 -0.987 19.490 1.00 11.13 C ATOM 942 OD1 ASP A 59 6.707 -2.169 19.870 1.00 41.41 O ATOM 943 OD2 ASP A 59 7.705 -0.648 18.674 1.00 0.13 O ATOM 0 H ASP A 59 4.496 -1.983 20.290 1.00 1.34 H new ATOM 0 HA ASP A 59 3.884 0.748 20.102 1.00 63.42 H new ATOM 0 HB2 ASP A 59 6.312 1.051 19.850 1.00 72.24 H new ATOM 0 HB3 ASP A 59 5.912 -0.036 21.165 1.00 72.24 H new ATOM 948 N ALA A 60 3.993 -0.708 17.292 1.00 41.43 N ATOM 949 CA ALA A 60 3.804 -0.606 15.849 1.00 11.04 C ATOM 950 C ALA A 60 2.929 0.597 15.468 1.00 33.14 C ATOM 951 O ALA A 60 3.230 1.294 14.499 1.00 55.31 O ATOM 952 CB ALA A 60 3.187 -1.891 15.323 1.00 61.34 C ATOM 0 H ALA A 60 3.806 -1.643 17.654 1.00 41.43 H new ATOM 0 HA ALA A 60 4.782 -0.453 15.393 1.00 11.04 H new ATOM 0 HB1 ALA A 60 3.047 -1.813 14.245 1.00 61.34 H new ATOM 0 HB2 ALA A 60 3.849 -2.729 15.543 1.00 61.34 H new ATOM 0 HB3 ALA A 60 2.222 -2.055 15.803 1.00 61.34 H new ATOM 958 N ARG A 61 1.852 0.844 16.239 1.00 63.34 N ATOM 959 CA ARG A 61 0.995 2.003 16.009 1.00 54.21 C ATOM 960 C ARG A 61 1.779 3.332 16.083 1.00 75.24 C ATOM 961 O ARG A 61 1.486 4.267 15.368 1.00 2.31 O ATOM 962 CB ARG A 61 -0.291 1.964 16.909 1.00 54.21 C ATOM 963 CG ARG A 61 -0.061 1.755 18.419 1.00 2.21 C ATOM 964 CD ARG A 61 0.592 2.942 19.087 1.00 20.00 C ATOM 965 NE ARG A 61 0.992 2.655 20.460 1.00 72.02 N ATOM 966 CZ ARG A 61 1.535 3.549 21.290 1.00 34.11 C ATOM 967 NH1 ARG A 61 1.671 4.813 20.907 1.00 34.12 N ATOM 968 NH2 ARG A 61 1.941 3.178 22.493 1.00 45.11 N ATOM 0 H ARG A 61 1.563 0.255 17.020 1.00 63.34 H new ATOM 0 HA ARG A 61 0.632 1.948 14.983 1.00 54.21 H new ATOM 0 HB2 ARG A 61 -0.833 2.899 16.772 1.00 54.21 H new ATOM 0 HB3 ARG A 61 -0.938 1.165 16.547 1.00 54.21 H new ATOM 0 HG2 ARG A 61 -1.017 1.554 18.902 1.00 2.21 H new ATOM 0 HG3 ARG A 61 0.563 0.873 18.567 1.00 2.21 H new ATOM 0 HD2 ARG A 61 1.467 3.244 18.512 1.00 20.00 H new ATOM 0 HD3 ARG A 61 -0.099 3.785 19.081 1.00 20.00 H new ATOM 0 HE ARG A 61 0.847 1.708 20.810 1.00 72.02 H new ATOM 0 HH11 ARG A 61 1.361 5.101 19.979 1.00 34.12 H new ATOM 0 HH12 ARG A 61 2.086 5.496 21.541 1.00 34.12 H new ATOM 0 HH21 ARG A 61 1.840 2.207 22.789 1.00 45.11 H new ATOM 0 HH22 ARG A 61 2.355 3.863 23.125 1.00 45.11 H new ATOM 982 N ASN A 62 2.781 3.388 16.948 1.00 20.31 N ATOM 983 CA ASN A 62 3.637 4.565 17.069 1.00 10.23 C ATOM 984 C ASN A 62 4.617 4.616 15.915 1.00 43.24 C ATOM 985 O ASN A 62 4.808 5.659 15.300 1.00 3.34 O ATOM 986 CB ASN A 62 4.387 4.580 18.419 1.00 1.22 C ATOM 987 CG ASN A 62 5.367 5.750 18.551 1.00 3.53 C ATOM 988 OD1 ASN A 62 4.994 6.842 18.974 1.00 64.21 O ATOM 989 ND2 ASN A 62 6.620 5.528 18.215 1.00 34.11 N ATOM 0 H ASN A 62 3.025 2.627 17.582 1.00 20.31 H new ATOM 0 HA ASN A 62 3.002 5.451 17.035 1.00 10.23 H new ATOM 0 HB2 ASN A 62 3.661 4.629 19.230 1.00 1.22 H new ATOM 0 HB3 ASN A 62 4.932 3.643 18.535 1.00 1.22 H new ATOM 0 HD21 ASN A 62 7.311 6.273 18.303 1.00 34.11 H new ATOM 0 HD22 ASN A 62 6.900 4.611 17.867 1.00 34.11 H new ATOM 996 N LEU A 63 5.214 3.464 15.621 1.00 22.43 N ATOM 997 CA LEU A 63 6.209 3.323 14.553 1.00 60.41 C ATOM 998 C LEU A 63 5.659 3.814 13.222 1.00 34.20 C ATOM 999 O LEU A 63 6.310 4.584 12.509 1.00 75.43 O ATOM 1000 CB LEU A 63 6.631 1.850 14.406 1.00 2.00 C ATOM 1001 CG LEU A 63 7.253 1.175 15.633 1.00 21.20 C ATOM 1002 CD1 LEU A 63 7.577 -0.279 15.328 1.00 73.32 C ATOM 1003 CD2 LEU A 63 8.503 1.913 16.082 1.00 53.32 C ATOM 0 H LEU A 63 5.022 2.594 16.118 1.00 22.43 H new ATOM 0 HA LEU A 63 7.072 3.930 14.826 1.00 60.41 H new ATOM 0 HB2 LEU A 63 5.753 1.275 14.112 1.00 2.00 H new ATOM 0 HB3 LEU A 63 7.345 1.783 13.585 1.00 2.00 H new ATOM 0 HG LEU A 63 6.528 1.210 16.446 1.00 21.20 H new ATOM 0 HD11 LEU A 63 8.018 -0.746 16.209 1.00 73.32 H new ATOM 0 HD12 LEU A 63 6.662 -0.807 15.057 1.00 73.32 H new ATOM 0 HD13 LEU A 63 8.283 -0.328 14.499 1.00 73.32 H new ATOM 0 HD21 LEU A 63 8.926 1.415 16.954 1.00 53.32 H new ATOM 0 HD22 LEU A 63 9.235 1.914 15.274 1.00 53.32 H new ATOM 0 HD23 LEU A 63 8.246 2.940 16.340 1.00 53.32 H new ATOM 1015 N ILE A 64 4.449 3.391 12.909 1.00 2.33 N ATOM 1016 CA ILE A 64 3.837 3.733 11.652 1.00 61.33 C ATOM 1017 C ILE A 64 3.477 5.241 11.598 1.00 53.51 C ATOM 1018 O ILE A 64 3.536 5.855 10.541 1.00 21.50 O ATOM 1019 CB ILE A 64 2.600 2.821 11.367 1.00 71.03 C ATOM 1020 CG1 ILE A 64 2.134 2.955 9.916 1.00 64.42 C ATOM 1021 CG2 ILE A 64 1.451 3.137 12.327 1.00 52.11 C ATOM 1022 CD1 ILE A 64 1.019 1.990 9.550 1.00 74.45 C ATOM 0 H ILE A 64 3.873 2.807 13.516 1.00 2.33 H new ATOM 0 HA ILE A 64 4.561 3.550 10.858 1.00 61.33 H new ATOM 0 HB ILE A 64 2.911 1.789 11.530 1.00 71.03 H new ATOM 0 HG12 ILE A 64 1.792 3.976 9.745 1.00 64.42 H new ATOM 0 HG13 ILE A 64 2.982 2.787 9.253 1.00 64.42 H new ATOM 0 HG21 ILE A 64 0.604 2.488 12.106 1.00 52.11 H new ATOM 0 HG22 ILE A 64 1.778 2.970 13.353 1.00 52.11 H new ATOM 0 HG23 ILE A 64 1.152 4.178 12.206 1.00 52.11 H new ATOM 0 HD11 ILE A 64 0.737 2.139 8.508 1.00 74.45 H new ATOM 0 HD12 ILE A 64 1.364 0.966 9.690 1.00 74.45 H new ATOM 0 HD13 ILE A 64 0.155 2.173 10.189 1.00 74.45 H new ATOM 1034 N ARG A 65 3.178 5.837 12.766 1.00 55.34 N ATOM 1035 CA ARG A 65 2.827 7.266 12.846 1.00 74.34 C ATOM 1036 C ARG A 65 4.054 8.162 12.715 1.00 52.42 C ATOM 1037 O ARG A 65 3.934 9.370 12.485 1.00 63.14 O ATOM 1038 CB ARG A 65 2.082 7.611 14.136 1.00 61.31 C ATOM 1039 CG ARG A 65 0.701 7.002 14.268 1.00 42.12 C ATOM 1040 CD ARG A 65 0.042 7.448 15.566 1.00 72.42 C ATOM 1041 NE ARG A 65 -0.093 8.915 15.629 1.00 1.23 N ATOM 1042 CZ ARG A 65 -0.349 9.628 16.738 1.00 22.11 C ATOM 1043 NH1 ARG A 65 -0.589 9.014 17.897 1.00 52.25 N ATOM 1044 NH2 ARG A 65 -0.376 10.958 16.673 1.00 51.20 N ATOM 0 H ARG A 65 3.172 5.353 13.664 1.00 55.34 H new ATOM 0 HA ARG A 65 2.161 7.453 12.003 1.00 74.34 H new ATOM 0 HB2 ARG A 65 2.687 7.287 14.983 1.00 61.31 H new ATOM 0 HB3 ARG A 65 1.991 8.695 14.205 1.00 61.31 H new ATOM 0 HG2 ARG A 65 0.084 7.298 13.420 1.00 42.12 H new ATOM 0 HG3 ARG A 65 0.773 5.915 14.245 1.00 42.12 H new ATOM 0 HD2 ARG A 65 -0.942 6.987 15.652 1.00 72.42 H new ATOM 0 HD3 ARG A 65 0.633 7.099 16.413 1.00 72.42 H new ATOM 0 HE ARG A 65 0.017 9.432 14.757 1.00 1.23 H new ATOM 0 HH11 ARG A 65 -0.579 7.995 17.946 1.00 52.25 H new ATOM 0 HH12 ARG A 65 -0.783 9.563 18.735 1.00 52.25 H new ATOM 0 HH21 ARG A 65 -0.203 11.429 15.785 1.00 51.20 H new ATOM 0 HH22 ARG A 65 -0.570 11.506 17.511 1.00 51.20 H new ATOM 1058 N ARG A 66 5.236 7.581 12.866 1.00 53.41 N ATOM 1059 CA ARG A 66 6.488 8.329 12.696 1.00 22.14 C ATOM 1060 C ARG A 66 6.811 8.534 11.230 1.00 4.54 C ATOM 1061 O ARG A 66 7.795 9.156 10.869 1.00 23.12 O ATOM 1062 CB ARG A 66 7.648 7.709 13.489 1.00 2.01 C ATOM 1063 CG ARG A 66 7.833 8.218 14.956 1.00 30.24 C ATOM 1064 CD ARG A 66 6.567 8.180 15.843 1.00 11.22 C ATOM 1065 NE ARG A 66 5.560 9.199 15.460 1.00 54.01 N ATOM 1066 CZ ARG A 66 4.474 9.549 16.173 1.00 12.21 C ATOM 1067 NH1 ARG A 66 4.217 8.983 17.349 1.00 65.11 N ATOM 1068 NH2 ARG A 66 3.647 10.476 15.693 1.00 54.23 N ATOM 0 H ARG A 66 5.361 6.597 13.105 1.00 53.41 H new ATOM 0 HA ARG A 66 6.340 9.321 13.124 1.00 22.14 H new ATOM 0 HB2 ARG A 66 7.505 6.629 13.517 1.00 2.01 H new ATOM 0 HB3 ARG A 66 8.573 7.894 12.943 1.00 2.01 H new ATOM 0 HG2 ARG A 66 8.608 7.618 15.434 1.00 30.24 H new ATOM 0 HG3 ARG A 66 8.200 9.244 14.922 1.00 30.24 H new ATOM 0 HD2 ARG A 66 6.116 7.190 15.780 1.00 11.22 H new ATOM 0 HD3 ARG A 66 6.854 8.334 16.883 1.00 11.22 H new ATOM 0 HE ARG A 66 5.704 9.680 14.572 1.00 54.01 H new ATOM 0 HH11 ARG A 66 4.847 8.273 17.722 1.00 65.11 H new ATOM 0 HH12 ARG A 66 3.390 9.259 17.878 1.00 65.11 H new ATOM 0 HH21 ARG A 66 3.840 10.914 14.792 1.00 54.23 H new ATOM 0 HH22 ARG A 66 2.821 10.748 16.226 1.00 54.23 H new ATOM 1082 N HIS A 67 5.948 8.015 10.407 1.00 22.50 N ATOM 1083 CA HIS A 67 5.967 8.235 8.993 1.00 13.44 C ATOM 1084 C HIS A 67 4.615 8.836 8.692 1.00 43.44 C ATOM 1085 O HIS A 67 3.673 8.623 9.461 1.00 25.13 O ATOM 1086 CB HIS A 67 6.167 6.917 8.215 1.00 3.53 C ATOM 1087 CG HIS A 67 7.448 6.191 8.545 1.00 22.41 C ATOM 1088 ND1 HIS A 67 8.573 6.218 7.746 1.00 44.22 N ATOM 1089 CD2 HIS A 67 7.767 5.400 9.597 1.00 62.51 C ATOM 1090 CE1 HIS A 67 9.516 5.484 8.292 1.00 63.02 C ATOM 1091 NE2 HIS A 67 9.053 4.978 9.412 1.00 44.24 N ATOM 0 H HIS A 67 5.188 7.408 10.713 1.00 22.50 H new ATOM 0 HA HIS A 67 6.792 8.880 8.692 1.00 13.44 H new ATOM 0 HB2 HIS A 67 5.325 6.256 8.420 1.00 3.53 H new ATOM 0 HB3 HIS A 67 6.150 7.133 7.147 1.00 3.53 H new ATOM 0 HD1 HIS A 67 8.659 6.729 6.867 1.00 44.22 H new ATOM 0 HD2 HIS A 67 7.124 5.149 10.428 1.00 62.51 H new ATOM 0 HE1 HIS A 67 10.505 5.324 7.888 1.00 63.02 H new ATOM 1100 N GLU A 68 4.490 9.591 7.653 1.00 75.30 N ATOM 1101 CA GLU A 68 3.220 10.238 7.409 1.00 64.44 C ATOM 1102 C GLU A 68 2.222 9.313 6.719 1.00 71.23 C ATOM 1103 O GLU A 68 1.256 8.851 7.350 1.00 4.10 O ATOM 1104 CB GLU A 68 3.392 11.546 6.652 1.00 35.22 C ATOM 1105 CG GLU A 68 4.259 12.561 7.369 1.00 41.23 C ATOM 1106 CD GLU A 68 4.462 13.803 6.552 1.00 11.04 C ATOM 1107 OE1 GLU A 68 3.643 14.729 6.647 1.00 2.12 O ATOM 1108 OE2 GLU A 68 5.443 13.866 5.788 1.00 64.02 O ATOM 0 H GLU A 68 5.222 9.780 6.969 1.00 75.30 H new ATOM 0 HA GLU A 68 2.799 10.480 8.385 1.00 64.44 H new ATOM 0 HB2 GLU A 68 3.829 11.335 5.676 1.00 35.22 H new ATOM 0 HB3 GLU A 68 2.410 11.983 6.474 1.00 35.22 H new ATOM 0 HG2 GLU A 68 3.797 12.824 8.321 1.00 41.23 H new ATOM 0 HG3 GLU A 68 5.227 12.115 7.597 1.00 41.23 H new ATOM 1115 N ARG A 69 2.460 9.014 5.450 1.00 63.23 N ATOM 1116 CA ARG A 69 1.519 8.225 4.668 1.00 23.24 C ATOM 1117 C ARG A 69 2.114 7.836 3.302 1.00 51.41 C ATOM 1118 O ARG A 69 2.383 6.664 3.029 1.00 3.11 O ATOM 1119 CB ARG A 69 0.242 9.070 4.451 1.00 12.54 C ATOM 1120 CG ARG A 69 -0.821 8.445 3.586 1.00 52.01 C ATOM 1121 CD ARG A 69 -1.913 9.455 3.277 1.00 10.24 C ATOM 1122 NE ARG A 69 -1.351 10.627 2.591 1.00 63.01 N ATOM 1123 CZ ARG A 69 -1.975 11.775 2.343 1.00 2.42 C ATOM 1124 NH1 ARG A 69 -3.267 11.935 2.635 1.00 1.21 N ATOM 1125 NH2 ARG A 69 -1.296 12.746 1.772 1.00 64.34 N ATOM 0 H ARG A 69 3.295 9.305 4.941 1.00 63.23 H new ATOM 0 HA ARG A 69 1.291 7.306 5.207 1.00 23.24 H new ATOM 0 HB2 ARG A 69 -0.194 9.292 5.425 1.00 12.54 H new ATOM 0 HB3 ARG A 69 0.531 10.023 4.007 1.00 12.54 H new ATOM 0 HG2 ARG A 69 -0.378 8.084 2.658 1.00 52.01 H new ATOM 0 HG3 ARG A 69 -1.249 7.580 4.093 1.00 52.01 H new ATOM 0 HD2 ARG A 69 -2.678 8.993 2.653 1.00 10.24 H new ATOM 0 HD3 ARG A 69 -2.401 9.766 4.201 1.00 10.24 H new ATOM 0 HE ARG A 69 -0.385 10.552 2.273 1.00 63.01 H new ATOM 0 HH11 ARG A 69 -3.793 11.169 3.056 1.00 1.21 H new ATOM 0 HH12 ARG A 69 -3.728 12.823 2.437 1.00 1.21 H new ATOM 0 HH21 ARG A 69 -0.315 12.608 1.530 1.00 64.34 H new ATOM 0 HH22 ARG A 69 -1.751 13.637 1.571 1.00 64.34 H new ATOM 1139 N ASP A 70 2.342 8.851 2.490 1.00 34.55 N ATOM 1140 CA ASP A 70 2.766 8.731 1.081 1.00 30.51 C ATOM 1141 C ASP A 70 4.079 7.973 0.918 1.00 23.15 C ATOM 1142 O ASP A 70 4.212 7.135 0.028 1.00 22.13 O ATOM 1143 CB ASP A 70 2.913 10.139 0.476 1.00 33.21 C ATOM 1144 CG ASP A 70 1.627 10.951 0.507 1.00 15.34 C ATOM 1145 OD1 ASP A 70 1.160 11.319 1.624 1.00 35.34 O ATOM 1146 OD2 ASP A 70 1.088 11.273 -0.573 1.00 32.24 O ATOM 0 H ASP A 70 2.238 9.820 2.790 1.00 34.55 H new ATOM 0 HA ASP A 70 1.998 8.159 0.560 1.00 30.51 H new ATOM 0 HB2 ASP A 70 3.688 10.680 1.019 1.00 33.21 H new ATOM 0 HB3 ASP A 70 3.251 10.049 -0.556 1.00 33.21 H new ATOM 1151 N GLU A 71 5.013 8.249 1.806 1.00 62.03 N ATOM 1152 CA GLU A 71 6.379 7.704 1.772 1.00 3.22 C ATOM 1153 C GLU A 71 6.400 6.181 1.674 1.00 3.43 C ATOM 1154 O GLU A 71 7.042 5.611 0.784 1.00 32.35 O ATOM 1155 CB GLU A 71 7.092 8.106 3.050 1.00 25.32 C ATOM 1156 CG GLU A 71 8.501 7.592 3.167 1.00 35.14 C ATOM 1157 CD GLU A 71 9.092 7.881 4.505 1.00 14.53 C ATOM 1158 OE1 GLU A 71 9.215 6.953 5.319 1.00 34.42 O ATOM 1159 OE2 GLU A 71 9.421 9.044 4.770 1.00 50.14 O ATOM 0 H GLU A 71 4.851 8.873 2.596 1.00 62.03 H new ATOM 0 HA GLU A 71 6.871 8.105 0.886 1.00 3.22 H new ATOM 0 HB2 GLU A 71 7.109 9.194 3.115 1.00 25.32 H new ATOM 0 HB3 GLU A 71 6.515 7.745 3.902 1.00 25.32 H new ATOM 0 HG2 GLU A 71 8.510 6.516 2.991 1.00 35.14 H new ATOM 0 HG3 GLU A 71 9.118 8.047 2.392 1.00 35.14 H new ATOM 1166 N ILE A 72 5.700 5.543 2.583 1.00 44.04 N ATOM 1167 CA ILE A 72 5.665 4.094 2.668 1.00 10.24 C ATOM 1168 C ILE A 72 5.029 3.507 1.418 1.00 22.54 C ATOM 1169 O ILE A 72 5.474 2.488 0.891 1.00 53.14 O ATOM 1170 CB ILE A 72 4.851 3.647 3.916 1.00 63.15 C ATOM 1171 CG1 ILE A 72 5.488 4.198 5.201 1.00 21.12 C ATOM 1172 CG2 ILE A 72 4.714 2.124 3.984 1.00 1.32 C ATOM 1173 CD1 ILE A 72 4.720 3.855 6.463 1.00 33.33 C ATOM 0 H ILE A 72 5.135 6.013 3.290 1.00 44.04 H new ATOM 0 HA ILE A 72 6.689 3.732 2.756 1.00 10.24 H new ATOM 0 HB ILE A 72 3.847 4.060 3.823 1.00 63.15 H new ATOM 0 HG12 ILE A 72 6.503 3.809 5.288 1.00 21.12 H new ATOM 0 HG13 ILE A 72 5.568 5.282 5.119 1.00 21.12 H new ATOM 0 HG21 ILE A 72 4.140 1.850 4.869 1.00 1.32 H new ATOM 0 HG22 ILE A 72 4.201 1.765 3.092 1.00 1.32 H new ATOM 0 HG23 ILE A 72 5.704 1.672 4.040 1.00 1.32 H new ATOM 0 HD11 ILE A 72 5.232 4.279 7.327 1.00 33.33 H new ATOM 0 HD12 ILE A 72 3.713 4.268 6.400 1.00 33.33 H new ATOM 0 HD13 ILE A 72 4.662 2.772 6.571 1.00 33.33 H new ATOM 1185 N MET A 73 4.025 4.192 0.924 1.00 12.31 N ATOM 1186 CA MET A 73 3.247 3.701 -0.183 1.00 74.41 C ATOM 1187 C MET A 73 4.076 3.726 -1.486 1.00 43.02 C ATOM 1188 O MET A 73 4.004 2.790 -2.301 1.00 24.11 O ATOM 1189 CB MET A 73 1.943 4.512 -0.301 1.00 61.32 C ATOM 1190 CG MET A 73 0.842 3.818 -1.082 1.00 61.22 C ATOM 1191 SD MET A 73 1.196 3.583 -2.812 1.00 72.11 S ATOM 1192 CE MET A 73 -0.200 2.611 -3.262 1.00 52.15 C ATOM 0 H MET A 73 3.727 5.101 1.278 1.00 12.31 H new ATOM 0 HA MET A 73 2.976 2.660 -0.005 1.00 74.41 H new ATOM 0 HB2 MET A 73 1.576 4.735 0.701 1.00 61.32 H new ATOM 0 HB3 MET A 73 2.165 5.466 -0.779 1.00 61.32 H new ATOM 0 HG2 MET A 73 0.650 2.846 -0.628 1.00 61.22 H new ATOM 0 HG3 MET A 73 -0.075 4.400 -0.988 1.00 61.22 H new ATOM 0 HE1 MET A 73 -0.053 2.204 -4.262 1.00 52.15 H new ATOM 0 HE2 MET A 73 -0.318 1.793 -2.551 1.00 52.15 H new ATOM 0 HE3 MET A 73 -1.095 3.233 -3.251 1.00 52.15 H new ATOM 1202 N GLU A 74 4.890 4.774 -1.662 1.00 35.14 N ATOM 1203 CA GLU A 74 5.757 4.882 -2.849 1.00 42.44 C ATOM 1204 C GLU A 74 6.671 3.682 -2.930 1.00 33.32 C ATOM 1205 O GLU A 74 6.893 3.114 -4.001 1.00 23.25 O ATOM 1206 CB GLU A 74 6.658 6.098 -2.777 1.00 13.03 C ATOM 1207 CG GLU A 74 5.979 7.423 -2.622 1.00 65.41 C ATOM 1208 CD GLU A 74 6.989 8.528 -2.640 1.00 64.44 C ATOM 1209 OE1 GLU A 74 7.012 9.299 -3.612 1.00 0.53 O ATOM 1210 OE2 GLU A 74 7.814 8.614 -1.703 1.00 64.53 O ATOM 0 H GLU A 74 4.969 5.553 -1.008 1.00 35.14 H new ATOM 0 HA GLU A 74 5.096 4.952 -3.713 1.00 42.44 H new ATOM 0 HB2 GLU A 74 7.344 5.966 -1.940 1.00 13.03 H new ATOM 0 HB3 GLU A 74 7.263 6.129 -3.683 1.00 13.03 H new ATOM 0 HG2 GLU A 74 5.258 7.567 -3.427 1.00 65.41 H new ATOM 0 HG3 GLU A 74 5.421 7.446 -1.686 1.00 65.41 H new ATOM 1217 N GLU A 75 7.182 3.297 -1.778 1.00 52.33 N ATOM 1218 CA GLU A 75 8.132 2.223 -1.674 1.00 23.43 C ATOM 1219 C GLU A 75 7.474 0.909 -2.087 1.00 63.51 C ATOM 1220 O GLU A 75 8.085 0.082 -2.771 1.00 73.21 O ATOM 1221 CB GLU A 75 8.637 2.137 -0.244 1.00 51.10 C ATOM 1222 CG GLU A 75 9.899 1.331 -0.093 1.00 63.32 C ATOM 1223 CD GLU A 75 11.031 1.957 -0.871 1.00 33.24 C ATOM 1224 OE1 GLU A 75 11.551 3.001 -0.440 1.00 54.34 O ATOM 1225 OE2 GLU A 75 11.416 1.429 -1.918 1.00 10.12 O ATOM 0 H GLU A 75 6.944 3.728 -0.885 1.00 52.33 H new ATOM 0 HA GLU A 75 8.975 2.412 -2.338 1.00 23.43 H new ATOM 0 HB2 GLU A 75 8.814 3.145 0.130 1.00 51.10 H new ATOM 0 HB3 GLU A 75 7.859 1.697 0.380 1.00 51.10 H new ATOM 0 HG2 GLU A 75 10.169 1.264 0.961 1.00 63.32 H new ATOM 0 HG3 GLU A 75 9.730 0.313 -0.444 1.00 63.32 H new ATOM 1232 N LEU A 76 6.214 0.743 -1.683 1.00 54.12 N ATOM 1233 CA LEU A 76 5.435 -0.440 -2.025 1.00 5.53 C ATOM 1234 C LEU A 76 5.287 -0.535 -3.531 1.00 0.13 C ATOM 1235 O LEU A 76 5.561 -1.582 -4.127 1.00 40.23 O ATOM 1236 CB LEU A 76 4.038 -0.375 -1.390 1.00 72.31 C ATOM 1237 CG LEU A 76 3.972 -0.241 0.132 1.00 32.20 C ATOM 1238 CD1 LEU A 76 2.531 -0.169 0.592 1.00 51.21 C ATOM 1239 CD2 LEU A 76 4.678 -1.392 0.810 1.00 61.45 C ATOM 0 H LEU A 76 5.710 1.422 -1.113 1.00 54.12 H new ATOM 0 HA LEU A 76 5.958 -1.316 -1.643 1.00 5.53 H new ATOM 0 HB2 LEU A 76 3.506 0.470 -1.828 1.00 72.31 H new ATOM 0 HB3 LEU A 76 3.494 -1.276 -1.675 1.00 72.31 H new ATOM 0 HG LEU A 76 4.480 0.682 0.411 1.00 32.20 H new ATOM 0 HD11 LEU A 76 2.500 -0.074 1.677 1.00 51.21 H new ATOM 0 HD12 LEU A 76 2.047 0.696 0.138 1.00 51.21 H new ATOM 0 HD13 LEU A 76 2.008 -1.077 0.292 1.00 51.21 H new ATOM 0 HD21 LEU A 76 4.615 -1.271 1.891 1.00 61.45 H new ATOM 0 HD22 LEU A 76 4.204 -2.330 0.522 1.00 61.45 H new ATOM 0 HD23 LEU A 76 5.725 -1.406 0.506 1.00 61.45 H new ATOM 1251 N THR A 77 4.882 0.579 -4.142 1.00 12.11 N ATOM 1252 CA THR A 77 4.685 0.649 -5.567 1.00 20.31 C ATOM 1253 C THR A 77 6.001 0.360 -6.329 1.00 60.32 C ATOM 1254 O THR A 77 6.004 -0.351 -7.342 1.00 65.10 O ATOM 1255 CB THR A 77 4.127 2.040 -5.955 1.00 2.41 C ATOM 1256 OG1 THR A 77 2.923 2.291 -5.207 1.00 25.13 O ATOM 1257 CG2 THR A 77 3.800 2.105 -7.444 1.00 41.13 C ATOM 0 H THR A 77 4.685 1.451 -3.652 1.00 12.11 H new ATOM 0 HA THR A 77 3.962 -0.116 -5.851 1.00 20.31 H new ATOM 0 HB THR A 77 4.886 2.789 -5.729 1.00 2.41 H new ATOM 0 HG1 THR A 77 3.156 2.570 -4.297 1.00 25.13 H new ATOM 0 HG21 THR A 77 3.410 3.093 -7.688 1.00 41.13 H new ATOM 0 HG22 THR A 77 4.704 1.918 -8.024 1.00 41.13 H new ATOM 0 HG23 THR A 77 3.052 1.350 -7.686 1.00 41.13 H new ATOM 1265 N LYS A 78 7.114 0.883 -5.823 1.00 72.32 N ATOM 1266 CA LYS A 78 8.394 0.693 -6.486 1.00 3.01 C ATOM 1267 C LYS A 78 8.922 -0.720 -6.391 1.00 21.41 C ATOM 1268 O LYS A 78 9.250 -1.325 -7.407 1.00 53.23 O ATOM 1269 CB LYS A 78 9.467 1.656 -5.999 1.00 62.24 C ATOM 1270 CG LYS A 78 9.184 3.105 -6.258 1.00 4.04 C ATOM 1271 CD LYS A 78 10.415 4.010 -6.028 1.00 14.13 C ATOM 1272 CE LYS A 78 10.989 3.961 -4.602 1.00 64.31 C ATOM 1273 NZ LYS A 78 11.711 2.688 -4.266 1.00 73.01 N ATOM 0 H LYS A 78 7.153 1.435 -4.966 1.00 72.32 H new ATOM 0 HA LYS A 78 8.177 0.907 -7.533 1.00 3.01 H new ATOM 0 HB2 LYS A 78 9.602 1.514 -4.927 1.00 62.24 H new ATOM 0 HB3 LYS A 78 10.412 1.395 -6.476 1.00 62.24 H new ATOM 0 HG2 LYS A 78 8.839 3.224 -7.285 1.00 4.04 H new ATOM 0 HG3 LYS A 78 8.372 3.433 -5.609 1.00 4.04 H new ATOM 0 HD2 LYS A 78 11.197 3.722 -6.730 1.00 14.13 H new ATOM 0 HD3 LYS A 78 10.141 5.039 -6.260 1.00 14.13 H new ATOM 0 HE2 LYS A 78 11.674 4.798 -4.471 1.00 64.31 H new ATOM 0 HE3 LYS A 78 10.175 4.101 -3.891 1.00 64.31 H new ATOM 0 HZ1 LYS A 78 11.162 2.153 -3.564 1.00 73.01 H new ATOM 0 HZ2 LYS A 78 11.824 2.115 -5.127 1.00 73.01 H new ATOM 0 HZ3 LYS A 78 12.648 2.913 -3.875 1.00 73.01 H new ATOM 1287 N TYR A 79 8.992 -1.249 -5.184 1.00 44.51 N ATOM 1288 CA TYR A 79 9.599 -2.559 -4.956 1.00 53.23 C ATOM 1289 C TYR A 79 8.856 -3.646 -5.738 1.00 52.42 C ATOM 1290 O TYR A 79 9.462 -4.621 -6.207 1.00 30.12 O ATOM 1291 CB TYR A 79 9.618 -2.883 -3.467 1.00 1.43 C ATOM 1292 CG TYR A 79 10.475 -4.078 -3.107 1.00 3.41 C ATOM 1293 CD1 TYR A 79 11.794 -3.897 -2.726 1.00 1.53 C ATOM 1294 CD2 TYR A 79 9.975 -5.372 -3.143 1.00 44.01 C ATOM 1295 CE1 TYR A 79 12.597 -4.967 -2.392 1.00 61.12 C ATOM 1296 CE2 TYR A 79 10.771 -6.452 -2.808 1.00 72.15 C ATOM 1297 CZ TYR A 79 12.085 -6.240 -2.433 1.00 45.44 C ATOM 1298 OH TYR A 79 12.889 -7.312 -2.099 1.00 3.11 O ATOM 0 H TYR A 79 8.637 -0.796 -4.342 1.00 44.51 H new ATOM 0 HA TYR A 79 10.628 -2.529 -5.316 1.00 53.23 H new ATOM 0 HB2 TYR A 79 9.980 -2.012 -2.921 1.00 1.43 H new ATOM 0 HB3 TYR A 79 8.597 -3.067 -3.133 1.00 1.43 H new ATOM 0 HD1 TYR A 79 12.202 -2.898 -2.690 1.00 1.53 H new ATOM 0 HD2 TYR A 79 8.949 -5.538 -3.437 1.00 44.01 H new ATOM 0 HE1 TYR A 79 13.624 -4.804 -2.100 1.00 61.12 H new ATOM 0 HE2 TYR A 79 10.369 -7.454 -2.839 1.00 72.15 H new ATOM 0 HH TYR A 79 12.376 -8.143 -2.178 1.00 3.11 H new ATOM 1308 N TYR A 80 7.559 -3.452 -5.885 1.00 13.34 N ATOM 1309 CA TYR A 80 6.699 -4.346 -6.639 1.00 3.23 C ATOM 1310 C TYR A 80 7.205 -4.455 -8.082 1.00 23.13 C ATOM 1311 O TYR A 80 7.403 -5.553 -8.614 1.00 73.52 O ATOM 1312 CB TYR A 80 5.282 -3.768 -6.620 1.00 70.44 C ATOM 1313 CG TYR A 80 4.222 -4.588 -7.320 1.00 24.54 C ATOM 1314 CD1 TYR A 80 3.580 -5.614 -6.660 1.00 61.31 C ATOM 1315 CD2 TYR A 80 3.839 -4.309 -8.628 1.00 54.40 C ATOM 1316 CE1 TYR A 80 2.589 -6.344 -7.268 1.00 42.34 C ATOM 1317 CE2 TYR A 80 2.850 -5.041 -9.248 1.00 21.21 C ATOM 1318 CZ TYR A 80 2.226 -6.056 -8.561 1.00 33.24 C ATOM 1319 OH TYR A 80 1.224 -6.775 -9.161 1.00 71.41 O ATOM 0 H TYR A 80 7.066 -2.657 -5.478 1.00 13.34 H new ATOM 0 HA TYR A 80 6.703 -5.342 -6.197 1.00 3.23 H new ATOM 0 HB2 TYR A 80 4.981 -3.632 -5.581 1.00 70.44 H new ATOM 0 HB3 TYR A 80 5.308 -2.779 -7.077 1.00 70.44 H new ATOM 0 HD1 TYR A 80 3.862 -5.848 -5.644 1.00 61.31 H new ATOM 0 HD2 TYR A 80 4.324 -3.507 -9.165 1.00 54.40 H new ATOM 0 HE1 TYR A 80 2.097 -7.142 -6.732 1.00 42.34 H new ATOM 0 HE2 TYR A 80 2.567 -4.819 -10.266 1.00 21.21 H new ATOM 0 HH TYR A 80 0.575 -6.160 -9.561 1.00 71.41 H new ATOM 1329 N LEU A 81 7.433 -3.311 -8.688 1.00 22.44 N ATOM 1330 CA LEU A 81 7.900 -3.238 -10.053 1.00 70.33 C ATOM 1331 C LEU A 81 9.366 -3.656 -10.158 1.00 14.53 C ATOM 1332 O LEU A 81 9.778 -4.252 -11.161 1.00 20.32 O ATOM 1333 CB LEU A 81 7.690 -1.833 -10.612 1.00 60.22 C ATOM 1334 CG LEU A 81 6.237 -1.338 -10.651 1.00 10.24 C ATOM 1335 CD1 LEU A 81 6.172 0.087 -11.154 1.00 43.45 C ATOM 1336 CD2 LEU A 81 5.378 -2.240 -11.528 1.00 75.22 C ATOM 0 H LEU A 81 7.299 -2.402 -8.245 1.00 22.44 H new ATOM 0 HA LEU A 81 7.315 -3.937 -10.651 1.00 70.33 H new ATOM 0 HB2 LEU A 81 8.276 -1.134 -10.015 1.00 60.22 H new ATOM 0 HB3 LEU A 81 8.092 -1.802 -11.625 1.00 60.22 H new ATOM 0 HG LEU A 81 5.846 -1.370 -9.634 1.00 10.24 H new ATOM 0 HD11 LEU A 81 5.134 0.419 -11.174 1.00 43.45 H new ATOM 0 HD12 LEU A 81 6.747 0.733 -10.491 1.00 43.45 H new ATOM 0 HD13 LEU A 81 6.588 0.137 -12.160 1.00 43.45 H new ATOM 0 HD21 LEU A 81 4.353 -1.868 -11.539 1.00 75.22 H new ATOM 0 HD22 LEU A 81 5.774 -2.244 -12.544 1.00 75.22 H new ATOM 0 HD23 LEU A 81 5.391 -3.255 -11.130 1.00 75.22 H new ATOM 1348 N ALA A 82 10.139 -3.377 -9.112 1.00 64.14 N ATOM 1349 CA ALA A 82 11.553 -3.721 -9.094 1.00 41.22 C ATOM 1350 C ALA A 82 11.729 -5.226 -9.130 1.00 23.43 C ATOM 1351 O ALA A 82 12.517 -5.758 -9.919 1.00 65.21 O ATOM 1352 CB ALA A 82 12.241 -3.127 -7.877 1.00 53.52 C ATOM 0 H ALA A 82 9.807 -2.913 -8.266 1.00 64.14 H new ATOM 0 HA ALA A 82 12.020 -3.297 -9.982 1.00 41.22 H new ATOM 0 HB1 ALA A 82 13.297 -3.399 -7.887 1.00 53.52 H new ATOM 0 HB2 ALA A 82 12.145 -2.041 -7.899 1.00 53.52 H new ATOM 0 HB3 ALA A 82 11.775 -3.514 -6.971 1.00 53.52 H new ATOM 1358 N ASN A 83 10.971 -5.910 -8.291 1.00 53.01 N ATOM 1359 CA ASN A 83 10.943 -7.319 -8.210 1.00 41.01 C ATOM 1360 C ASN A 83 10.473 -7.937 -9.528 1.00 50.32 C ATOM 1361 O ASN A 83 10.827 -9.071 -9.870 1.00 1.32 O ATOM 1362 CB ASN A 83 9.984 -7.653 -7.117 1.00 4.11 C ATOM 1363 CG ASN A 83 10.104 -9.029 -6.692 1.00 21.43 C ATOM 1364 OD1 ASN A 83 9.408 -9.924 -7.159 1.00 2.24 O ATOM 1365 ND2 ASN A 83 11.007 -9.225 -5.827 1.00 75.40 N ATOM 0 H ASN A 83 10.340 -5.458 -7.629 1.00 53.01 H new ATOM 0 HA ASN A 83 11.939 -7.715 -8.011 1.00 41.01 H new ATOM 0 HB2 ASN A 83 10.160 -6.994 -6.267 1.00 4.11 H new ATOM 0 HB3 ASN A 83 8.966 -7.467 -7.459 1.00 4.11 H new ATOM 0 HD21 ASN A 83 11.187 -10.168 -5.482 1.00 75.40 H new ATOM 0 HD22 ASN A 83 11.555 -8.440 -5.475 1.00 75.40 H new ATOM 1372 N HIS A 84 9.702 -7.174 -10.273 1.00 42.13 N ATOM 1373 CA HIS A 84 9.184 -7.609 -11.557 1.00 72.33 C ATOM 1374 C HIS A 84 10.250 -7.436 -12.666 1.00 61.42 C ATOM 1375 O HIS A 84 10.046 -7.847 -13.806 1.00 52.32 O ATOM 1376 CB HIS A 84 7.867 -6.853 -11.873 1.00 32.10 C ATOM 1377 CG HIS A 84 7.196 -7.233 -13.166 1.00 3.25 C ATOM 1378 ND1 HIS A 84 6.357 -8.313 -13.295 1.00 71.23 N ATOM 1379 CD2 HIS A 84 7.250 -6.659 -14.392 1.00 42.41 C ATOM 1380 CE1 HIS A 84 5.927 -8.389 -14.533 1.00 73.51 C ATOM 1381 NE2 HIS A 84 6.456 -7.396 -15.216 1.00 70.43 N ATOM 0 H HIS A 84 9.415 -6.232 -10.007 1.00 42.13 H new ATOM 0 HA HIS A 84 8.951 -8.673 -11.515 1.00 72.33 H new ATOM 0 HB2 HIS A 84 7.166 -7.023 -11.056 1.00 32.10 H new ATOM 0 HB3 HIS A 84 8.078 -5.784 -11.894 1.00 32.10 H new ATOM 0 HD2 HIS A 84 7.817 -5.781 -14.664 1.00 42.41 H new ATOM 0 HE1 HIS A 84 5.254 -9.138 -14.924 1.00 73.51 H new ATOM 0 HE2 HIS A 84 6.296 -7.209 -16.206 1.00 70.43 H new ATOM 1390 N GLY A 85 11.379 -6.843 -12.314 1.00 60.11 N ATOM 1391 CA GLY A 85 12.462 -6.683 -13.269 1.00 74.53 C ATOM 1392 C GLY A 85 12.568 -5.284 -13.808 1.00 12.52 C ATOM 1393 O GLY A 85 13.345 -5.020 -14.725 1.00 53.35 O ATOM 0 H GLY A 85 11.568 -6.468 -11.384 1.00 60.11 H new ATOM 0 HA2 GLY A 85 13.403 -6.955 -12.791 1.00 74.53 H new ATOM 0 HA3 GLY A 85 12.314 -7.375 -14.098 1.00 74.53 H new ATOM 1397 N ILE A 86 11.802 -4.385 -13.252 1.00 22.11 N ATOM 1398 CA ILE A 86 11.814 -3.017 -13.696 1.00 43.21 C ATOM 1399 C ILE A 86 12.641 -2.179 -12.755 1.00 3.13 C ATOM 1400 O ILE A 86 12.459 -2.243 -11.546 1.00 64.41 O ATOM 1401 CB ILE A 86 10.376 -2.435 -13.783 1.00 74.50 C ATOM 1402 CG1 ILE A 86 9.547 -3.221 -14.802 1.00 40.31 C ATOM 1403 CG2 ILE A 86 10.389 -0.937 -14.126 1.00 33.41 C ATOM 1404 CD1 ILE A 86 8.134 -2.724 -14.944 1.00 1.15 C ATOM 0 H ILE A 86 11.157 -4.577 -12.485 1.00 22.11 H new ATOM 0 HA ILE A 86 12.252 -2.994 -14.694 1.00 43.21 H new ATOM 0 HB ILE A 86 9.913 -2.537 -12.801 1.00 74.50 H new ATOM 0 HG12 ILE A 86 10.039 -3.172 -15.773 1.00 40.31 H new ATOM 0 HG13 ILE A 86 9.526 -4.270 -14.508 1.00 40.31 H new ATOM 0 HG21 ILE A 86 9.365 -0.567 -14.178 1.00 33.41 H new ATOM 0 HG22 ILE A 86 10.933 -0.392 -13.355 1.00 33.41 H new ATOM 0 HG23 ILE A 86 10.878 -0.788 -15.089 1.00 33.41 H new ATOM 0 HD11 ILE A 86 7.608 -3.329 -15.683 1.00 1.15 H new ATOM 0 HD12 ILE A 86 7.624 -2.799 -13.984 1.00 1.15 H new ATOM 0 HD13 ILE A 86 8.145 -1.684 -15.269 1.00 1.15 H new ATOM 1416 N ASP A 87 13.552 -1.415 -13.290 1.00 2.44 N ATOM 1417 CA ASP A 87 14.290 -0.488 -12.458 1.00 23.20 C ATOM 1418 C ASP A 87 13.530 0.795 -12.493 1.00 22.11 C ATOM 1419 O ASP A 87 12.876 1.096 -13.489 1.00 4.54 O ATOM 1420 CB ASP A 87 15.749 -0.248 -12.919 1.00 10.22 C ATOM 1421 CG ASP A 87 15.879 0.544 -14.203 1.00 52.10 C ATOM 1422 OD1 ASP A 87 15.944 1.803 -14.148 1.00 53.43 O ATOM 1423 OD2 ASP A 87 15.949 -0.067 -15.282 1.00 33.24 O ATOM 0 H ASP A 87 13.803 -1.409 -14.279 1.00 2.44 H new ATOM 0 HA ASP A 87 14.376 -0.907 -11.456 1.00 23.20 H new ATOM 0 HB2 ASP A 87 16.285 0.276 -12.128 1.00 10.22 H new ATOM 0 HB3 ASP A 87 16.239 -1.213 -13.051 1.00 10.22 H new ATOM 1428 N ILE A 88 13.574 1.534 -11.450 1.00 11.45 N ATOM 1429 CA ILE A 88 12.817 2.747 -11.386 1.00 72.15 C ATOM 1430 C ILE A 88 13.726 3.938 -11.259 1.00 11.24 C ATOM 1431 O ILE A 88 14.717 3.900 -10.513 1.00 63.10 O ATOM 1432 CB ILE A 88 11.788 2.677 -10.243 1.00 54.04 C ATOM 1433 CG1 ILE A 88 10.829 1.519 -10.524 1.00 24.15 C ATOM 1434 CG2 ILE A 88 11.026 3.994 -10.070 1.00 43.22 C ATOM 1435 CD1 ILE A 88 9.795 1.309 -9.481 1.00 10.40 C ATOM 0 H ILE A 88 14.127 1.328 -10.618 1.00 11.45 H new ATOM 0 HA ILE A 88 12.263 2.867 -12.317 1.00 72.15 H new ATOM 0 HB ILE A 88 12.315 2.506 -9.304 1.00 54.04 H new ATOM 0 HG12 ILE A 88 10.333 1.698 -11.478 1.00 24.15 H new ATOM 0 HG13 ILE A 88 11.409 0.602 -10.633 1.00 24.15 H new ATOM 0 HG21 ILE A 88 10.312 3.896 -9.252 1.00 43.22 H new ATOM 0 HG22 ILE A 88 11.730 4.795 -9.843 1.00 43.22 H new ATOM 0 HG23 ILE A 88 10.493 4.230 -10.991 1.00 43.22 H new ATOM 0 HD11 ILE A 88 9.160 0.469 -9.762 1.00 10.40 H new ATOM 0 HD12 ILE A 88 10.278 1.096 -8.527 1.00 10.40 H new ATOM 0 HD13 ILE A 88 9.186 2.208 -9.386 1.00 10.40 H new ATOM 1767 N ALA B 19 -2.925 -9.832 -13.366 1.00 51.51 N ATOM 1768 CA ALA B 19 -3.389 -8.744 -14.187 1.00 71.32 C ATOM 1769 C ALA B 19 -2.946 -7.411 -13.650 1.00 1.21 C ATOM 1770 O ALA B 19 -2.656 -6.504 -14.413 1.00 24.21 O ATOM 1771 CB ALA B 19 -4.874 -8.769 -14.274 1.00 13.13 C ATOM 0 HA ALA B 19 -2.954 -8.874 -15.178 1.00 71.32 H new ATOM 0 HB1 ALA B 19 -5.216 -7.942 -14.897 1.00 13.13 H new ATOM 0 HB2 ALA B 19 -5.197 -9.713 -14.714 1.00 13.13 H new ATOM 0 HB3 ALA B 19 -5.299 -8.670 -13.275 1.00 13.13 H new ATOM 1777 N ILE B 20 -2.888 -7.288 -12.332 1.00 62.53 N ATOM 1778 CA ILE B 20 -2.452 -6.051 -11.713 1.00 34.21 C ATOM 1779 C ILE B 20 -0.987 -5.832 -12.030 1.00 33.33 C ATOM 1780 O ILE B 20 -0.546 -4.707 -12.264 1.00 34.43 O ATOM 1781 CB ILE B 20 -2.674 -6.063 -10.171 1.00 74.44 C ATOM 1782 CG1 ILE B 20 -4.163 -6.265 -9.861 1.00 11.13 C ATOM 1783 CG2 ILE B 20 -2.164 -4.770 -9.533 1.00 44.54 C ATOM 1784 CD1 ILE B 20 -4.496 -6.304 -8.386 1.00 72.05 C ATOM 0 H ILE B 20 -3.137 -8.028 -11.675 1.00 62.53 H new ATOM 0 HA ILE B 20 -3.050 -5.234 -12.117 1.00 34.21 H new ATOM 0 HB ILE B 20 -2.107 -6.891 -9.746 1.00 74.44 H new ATOM 0 HG12 ILE B 20 -4.731 -5.460 -10.328 1.00 11.13 H new ATOM 0 HG13 ILE B 20 -4.494 -7.197 -10.320 1.00 11.13 H new ATOM 0 HG21 ILE B 20 -2.331 -4.805 -8.456 1.00 44.54 H new ATOM 0 HG22 ILE B 20 -1.098 -4.662 -9.731 1.00 44.54 H new ATOM 0 HG23 ILE B 20 -2.699 -3.920 -9.956 1.00 44.54 H new ATOM 0 HD11 ILE B 20 -5.569 -6.450 -8.259 1.00 72.05 H new ATOM 0 HD12 ILE B 20 -3.959 -7.127 -7.913 1.00 72.05 H new ATOM 0 HD13 ILE B 20 -4.200 -5.363 -7.921 1.00 72.05 H new ATOM 1796 N SER B 21 -0.267 -6.927 -12.125 1.00 11.13 N ATOM 1797 CA SER B 21 1.151 -6.886 -12.413 1.00 72.52 C ATOM 1798 C SER B 21 1.357 -6.442 -13.857 1.00 14.35 C ATOM 1799 O SER B 21 2.184 -5.558 -14.149 1.00 34.14 O ATOM 1800 CB SER B 21 1.757 -8.269 -12.198 1.00 34.40 C ATOM 1801 OG SER B 21 1.471 -8.751 -10.891 1.00 32.15 O ATOM 0 H SER B 21 -0.644 -7.867 -12.006 1.00 11.13 H new ATOM 0 HA SER B 21 1.643 -6.178 -11.746 1.00 72.52 H new ATOM 0 HB2 SER B 21 1.362 -8.963 -12.940 1.00 34.40 H new ATOM 0 HB3 SER B 21 2.836 -8.225 -12.345 1.00 34.40 H new ATOM 0 HG SER B 21 1.153 -8.012 -10.332 1.00 32.15 H new ATOM 1807 N GLU B 22 0.578 -7.043 -14.742 1.00 64.20 N ATOM 1808 CA GLU B 22 0.601 -6.746 -16.156 1.00 43.45 C ATOM 1809 C GLU B 22 0.185 -5.282 -16.388 1.00 63.02 C ATOM 1810 O GLU B 22 0.854 -4.531 -17.105 1.00 44.33 O ATOM 1811 CB GLU B 22 -0.368 -7.700 -16.869 1.00 20.51 C ATOM 1812 CG GLU B 22 -0.342 -7.625 -18.383 1.00 60.31 C ATOM 1813 CD GLU B 22 1.007 -8.021 -18.955 1.00 63.32 C ATOM 1814 OE1 GLU B 22 1.221 -9.223 -19.239 1.00 25.32 O ATOM 1815 OE2 GLU B 22 1.876 -7.149 -19.123 1.00 35.22 O ATOM 0 H GLU B 22 -0.098 -7.763 -14.488 1.00 64.20 H new ATOM 0 HA GLU B 22 1.606 -6.882 -16.554 1.00 43.45 H new ATOM 0 HB2 GLU B 22 -0.137 -8.721 -16.567 1.00 20.51 H new ATOM 0 HB3 GLU B 22 -1.381 -7.488 -16.527 1.00 20.51 H new ATOM 0 HG2 GLU B 22 -1.113 -8.279 -18.790 1.00 60.31 H new ATOM 0 HG3 GLU B 22 -0.585 -6.610 -18.699 1.00 60.31 H new ATOM 1822 N THR B 23 -0.902 -4.887 -15.740 1.00 73.11 N ATOM 1823 CA THR B 23 -1.432 -3.545 -15.847 1.00 72.12 C ATOM 1824 C THR B 23 -0.407 -2.497 -15.390 1.00 55.24 C ATOM 1825 O THR B 23 -0.124 -1.557 -16.121 1.00 41.14 O ATOM 1826 CB THR B 23 -2.748 -3.393 -15.034 1.00 71.33 C ATOM 1827 OG1 THR B 23 -3.731 -4.326 -15.519 1.00 1.02 O ATOM 1828 CG2 THR B 23 -3.309 -1.978 -15.141 1.00 11.00 C ATOM 0 H THR B 23 -1.440 -5.496 -15.123 1.00 73.11 H new ATOM 0 HA THR B 23 -1.652 -3.372 -16.900 1.00 72.12 H new ATOM 0 HB THR B 23 -2.519 -3.597 -13.988 1.00 71.33 H new ATOM 0 HG1 THR B 23 -3.515 -5.226 -15.196 1.00 1.02 H new ATOM 0 HG21 THR B 23 -4.229 -1.907 -14.561 1.00 11.00 H new ATOM 0 HG22 THR B 23 -2.579 -1.267 -14.753 1.00 11.00 H new ATOM 0 HG23 THR B 23 -3.520 -1.748 -16.185 1.00 11.00 H new ATOM 1836 N LEU B 24 0.171 -2.684 -14.203 1.00 44.15 N ATOM 1837 CA LEU B 24 1.126 -1.715 -13.666 1.00 71.43 C ATOM 1838 C LEU B 24 2.379 -1.601 -14.524 1.00 23.23 C ATOM 1839 O LEU B 24 2.992 -0.539 -14.584 1.00 32.33 O ATOM 1840 CB LEU B 24 1.466 -1.982 -12.194 1.00 31.44 C ATOM 1841 CG LEU B 24 0.297 -1.868 -11.205 1.00 23.44 C ATOM 1842 CD1 LEU B 24 0.764 -2.148 -9.793 1.00 32.25 C ATOM 1843 CD2 LEU B 24 -0.360 -0.492 -11.282 1.00 71.22 C ATOM 0 H LEU B 24 -0.003 -3.489 -13.601 1.00 44.15 H new ATOM 0 HA LEU B 24 0.628 -0.746 -13.703 1.00 71.43 H new ATOM 0 HB2 LEU B 24 1.888 -2.984 -12.114 1.00 31.44 H new ATOM 0 HB3 LEU B 24 2.245 -1.283 -11.888 1.00 31.44 H new ATOM 0 HG LEU B 24 -0.447 -2.615 -11.482 1.00 23.44 H new ATOM 0 HD11 LEU B 24 -0.079 -2.062 -9.107 1.00 32.25 H new ATOM 0 HD12 LEU B 24 1.175 -3.156 -9.739 1.00 32.25 H new ATOM 0 HD13 LEU B 24 1.533 -1.427 -9.515 1.00 32.25 H new ATOM 0 HD21 LEU B 24 -1.184 -0.442 -10.570 1.00 71.22 H new ATOM 0 HD22 LEU B 24 0.375 0.276 -11.041 1.00 71.22 H new ATOM 0 HD23 LEU B 24 -0.741 -0.326 -12.290 1.00 71.22 H new ATOM 1855 N GLU B 25 2.750 -2.688 -15.197 1.00 3.21 N ATOM 1856 CA GLU B 25 3.877 -2.658 -16.108 1.00 71.32 C ATOM 1857 C GLU B 25 3.549 -1.709 -17.259 1.00 63.33 C ATOM 1858 O GLU B 25 4.354 -0.838 -17.622 1.00 10.15 O ATOM 1859 CB GLU B 25 4.155 -4.049 -16.668 1.00 30.04 C ATOM 1860 CG GLU B 25 5.356 -4.100 -17.596 1.00 52.24 C ATOM 1861 CD GLU B 25 5.530 -5.438 -18.241 1.00 61.31 C ATOM 1862 OE1 GLU B 25 6.029 -6.371 -17.584 1.00 72.32 O ATOM 1863 OE2 GLU B 25 5.168 -5.585 -19.411 1.00 61.12 O ATOM 0 H GLU B 25 2.285 -3.593 -15.125 1.00 3.21 H new ATOM 0 HA GLU B 25 4.762 -2.318 -15.570 1.00 71.32 H new ATOM 0 HB2 GLU B 25 4.316 -4.740 -15.840 1.00 30.04 H new ATOM 0 HB3 GLU B 25 3.274 -4.398 -17.207 1.00 30.04 H new ATOM 0 HG2 GLU B 25 5.245 -3.340 -18.369 1.00 52.24 H new ATOM 0 HG3 GLU B 25 6.256 -3.853 -17.033 1.00 52.24 H new ATOM 1870 N THR B 26 2.342 -1.869 -17.807 1.00 44.02 N ATOM 1871 CA THR B 26 1.868 -1.037 -18.888 1.00 64.44 C ATOM 1872 C THR B 26 1.792 0.433 -18.422 1.00 5.14 C ATOM 1873 O THR B 26 2.244 1.341 -19.119 1.00 22.13 O ATOM 1874 CB THR B 26 0.463 -1.487 -19.363 1.00 64.05 C ATOM 1875 OG1 THR B 26 0.467 -2.894 -19.679 1.00 54.22 O ATOM 1876 CG2 THR B 26 0.060 -0.711 -20.602 1.00 33.31 C ATOM 0 H THR B 26 1.676 -2.580 -17.507 1.00 44.02 H new ATOM 0 HA THR B 26 2.568 -1.133 -19.718 1.00 64.44 H new ATOM 0 HB THR B 26 -0.247 -1.295 -18.558 1.00 64.05 H new ATOM 0 HG1 THR B 26 0.496 -3.415 -18.850 1.00 54.22 H new ATOM 0 HG21 THR B 26 -0.929 -1.034 -20.928 1.00 33.31 H new ATOM 0 HG22 THR B 26 0.036 0.354 -20.372 1.00 33.31 H new ATOM 0 HG23 THR B 26 0.782 -0.895 -21.397 1.00 33.31 H new ATOM 1884 N VAL B 27 1.238 0.640 -17.220 1.00 61.52 N ATOM 1885 CA VAL B 27 1.105 1.976 -16.642 1.00 13.24 C ATOM 1886 C VAL B 27 2.479 2.633 -16.482 1.00 2.41 C ATOM 1887 O VAL B 27 2.649 3.814 -16.778 1.00 31.23 O ATOM 1888 CB VAL B 27 0.361 1.949 -15.265 1.00 20.23 C ATOM 1889 CG1 VAL B 27 0.211 3.353 -14.704 1.00 24.32 C ATOM 1890 CG2 VAL B 27 -1.015 1.313 -15.402 1.00 12.10 C ATOM 0 H VAL B 27 0.874 -0.108 -16.629 1.00 61.52 H new ATOM 0 HA VAL B 27 0.503 2.566 -17.333 1.00 13.24 H new ATOM 0 HB VAL B 27 0.963 1.352 -14.580 1.00 20.23 H new ATOM 0 HG11 VAL B 27 -0.309 3.309 -13.747 1.00 24.32 H new ATOM 0 HG12 VAL B 27 1.197 3.795 -14.561 1.00 24.32 H new ATOM 0 HG13 VAL B 27 -0.363 3.964 -15.401 1.00 24.32 H new ATOM 0 HG21 VAL B 27 -1.511 1.306 -14.431 1.00 12.10 H new ATOM 0 HG22 VAL B 27 -1.612 1.887 -16.111 1.00 12.10 H new ATOM 0 HG23 VAL B 27 -0.909 0.290 -15.762 1.00 12.10 H new ATOM 1900 N TYR B 28 3.467 1.848 -16.059 1.00 3.24 N ATOM 1901 CA TYR B 28 4.816 2.368 -15.867 1.00 35.11 C ATOM 1902 C TYR B 28 5.391 2.820 -17.210 1.00 45.13 C ATOM 1903 O TYR B 28 5.909 3.933 -17.341 1.00 21.25 O ATOM 1904 CB TYR B 28 5.744 1.321 -15.195 1.00 60.41 C ATOM 1905 CG TYR B 28 7.122 1.872 -14.832 1.00 63.35 C ATOM 1906 CD1 TYR B 28 8.162 1.873 -15.748 1.00 10.10 C ATOM 1907 CD2 TYR B 28 7.364 2.413 -13.573 1.00 12.14 C ATOM 1908 CE1 TYR B 28 9.398 2.402 -15.425 1.00 4.45 C ATOM 1909 CE2 TYR B 28 8.602 2.938 -13.241 1.00 13.44 C ATOM 1910 CZ TYR B 28 9.613 2.932 -14.173 1.00 14.25 C ATOM 1911 OH TYR B 28 10.844 3.483 -13.859 1.00 51.24 O ATOM 0 H TYR B 28 3.359 0.857 -15.844 1.00 3.24 H new ATOM 0 HA TYR B 28 4.759 3.224 -15.195 1.00 35.11 H new ATOM 0 HB2 TYR B 28 5.262 0.946 -14.292 1.00 60.41 H new ATOM 0 HB3 TYR B 28 5.867 0.471 -15.867 1.00 60.41 H new ATOM 0 HD1 TYR B 28 8.004 1.454 -16.731 1.00 10.10 H new ATOM 0 HD2 TYR B 28 6.571 2.424 -12.840 1.00 12.14 H new ATOM 0 HE1 TYR B 28 10.194 2.399 -16.155 1.00 4.45 H new ATOM 0 HE2 TYR B 28 8.772 3.349 -12.257 1.00 13.44 H new ATOM 0 HH TYR B 28 10.724 4.198 -13.200 1.00 51.24 H new ATOM 1921 N ARG B 29 5.260 1.963 -18.207 1.00 65.01 N ATOM 1922 CA ARG B 29 5.747 2.244 -19.551 1.00 50.40 C ATOM 1923 C ARG B 29 5.077 3.469 -20.168 1.00 65.24 C ATOM 1924 O ARG B 29 5.697 4.201 -20.947 1.00 3.41 O ATOM 1925 CB ARG B 29 5.568 1.025 -20.462 1.00 45.31 C ATOM 1926 CG ARG B 29 6.477 -0.157 -20.135 1.00 25.33 C ATOM 1927 CD ARG B 29 7.936 0.242 -20.282 1.00 0.02 C ATOM 1928 NE ARG B 29 8.193 0.807 -21.612 1.00 44.43 N ATOM 1929 CZ ARG B 29 9.002 1.838 -21.869 1.00 51.13 C ATOM 1930 NH1 ARG B 29 9.794 2.332 -20.917 1.00 51.12 N ATOM 1931 NH2 ARG B 29 9.043 2.338 -23.089 1.00 63.04 N ATOM 0 H ARG B 29 4.813 1.051 -18.110 1.00 65.01 H new ATOM 0 HA ARG B 29 6.810 2.466 -19.460 1.00 50.40 H new ATOM 0 HB2 ARG B 29 4.531 0.695 -20.404 1.00 45.31 H new ATOM 0 HB3 ARG B 29 5.748 1.330 -21.493 1.00 45.31 H new ATOM 0 HG2 ARG B 29 6.287 -0.499 -19.118 1.00 25.33 H new ATOM 0 HG3 ARG B 29 6.253 -0.992 -20.799 1.00 25.33 H new ATOM 0 HD2 ARG B 29 8.196 0.972 -19.516 1.00 0.02 H new ATOM 0 HD3 ARG B 29 8.573 -0.628 -20.123 1.00 0.02 H new ATOM 0 HE ARG B 29 7.715 0.377 -22.404 1.00 44.43 H new ATOM 0 HH11 ARG B 29 9.785 1.922 -19.983 1.00 51.12 H new ATOM 0 HH12 ARG B 29 10.409 3.120 -21.123 1.00 51.12 H new ATOM 0 HH21 ARG B 29 8.461 1.937 -23.824 1.00 63.04 H new ATOM 0 HH22 ARG B 29 9.657 3.125 -23.297 1.00 63.04 H new ATOM 1945 N ALA B 30 3.827 3.691 -19.818 1.00 53.22 N ATOM 1946 CA ALA B 30 3.068 4.819 -20.339 1.00 75.43 C ATOM 1947 C ALA B 30 3.704 6.155 -19.950 1.00 35.43 C ATOM 1948 O ALA B 30 3.919 7.024 -20.806 1.00 20.32 O ATOM 1949 CB ALA B 30 1.620 4.755 -19.879 1.00 34.31 C ATOM 0 H ALA B 30 3.307 3.101 -19.168 1.00 53.22 H new ATOM 0 HA ALA B 30 3.086 4.752 -21.427 1.00 75.43 H new ATOM 0 HB1 ALA B 30 1.073 5.608 -20.281 1.00 34.31 H new ATOM 0 HB2 ALA B 30 1.165 3.831 -20.236 1.00 34.31 H new ATOM 0 HB3 ALA B 30 1.583 4.780 -18.790 1.00 34.31 H new ATOM 1955 N LEU B 31 4.019 6.319 -18.671 1.00 23.44 N ATOM 1956 CA LEU B 31 4.608 7.569 -18.214 1.00 75.44 C ATOM 1957 C LEU B 31 6.048 7.738 -18.621 1.00 14.33 C ATOM 1958 O LEU B 31 6.507 8.868 -18.796 1.00 25.03 O ATOM 1959 CB LEU B 31 4.420 7.863 -16.731 1.00 44.53 C ATOM 1960 CG LEU B 31 2.997 8.093 -16.259 1.00 41.30 C ATOM 1961 CD1 LEU B 31 2.221 6.807 -16.058 1.00 63.33 C ATOM 1962 CD2 LEU B 31 2.959 8.986 -15.051 1.00 71.03 C ATOM 0 H LEU B 31 3.880 5.616 -17.945 1.00 23.44 H new ATOM 0 HA LEU B 31 4.025 8.323 -18.744 1.00 75.44 H new ATOM 0 HB2 LEU B 31 4.837 7.031 -16.163 1.00 44.53 H new ATOM 0 HB3 LEU B 31 5.009 8.746 -16.481 1.00 44.53 H new ATOM 0 HG LEU B 31 2.481 8.616 -17.064 1.00 41.30 H new ATOM 0 HD11 LEU B 31 1.211 7.040 -15.720 1.00 63.33 H new ATOM 0 HD12 LEU B 31 2.171 6.261 -17.000 1.00 63.33 H new ATOM 0 HD13 LEU B 31 2.721 6.193 -15.309 1.00 63.33 H new ATOM 0 HD21 LEU B 31 1.925 9.131 -14.738 1.00 71.03 H new ATOM 0 HD22 LEU B 31 3.522 8.525 -14.240 1.00 71.03 H new ATOM 0 HD23 LEU B 31 3.402 9.951 -15.298 1.00 71.03 H new ATOM 1974 N GLU B 32 6.764 6.630 -18.760 1.00 11.22 N ATOM 1975 CA GLU B 32 8.152 6.673 -19.213 1.00 22.14 C ATOM 1976 C GLU B 32 8.280 7.380 -20.548 1.00 52.10 C ATOM 1977 O GLU B 32 9.131 8.257 -20.717 1.00 1.01 O ATOM 1978 CB GLU B 32 8.740 5.281 -19.312 1.00 21.44 C ATOM 1979 CG GLU B 32 9.064 4.639 -17.986 1.00 43.32 C ATOM 1980 CD GLU B 32 10.147 5.395 -17.240 1.00 10.45 C ATOM 1981 OE1 GLU B 32 11.322 5.367 -17.699 1.00 10.22 O ATOM 1982 OE2 GLU B 32 9.856 6.002 -16.199 1.00 71.52 O ATOM 0 H GLU B 32 6.410 5.693 -18.567 1.00 11.22 H new ATOM 0 HA GLU B 32 8.712 7.238 -18.468 1.00 22.14 H new ATOM 0 HB2 GLU B 32 8.038 4.642 -19.848 1.00 21.44 H new ATOM 0 HB3 GLU B 32 9.650 5.327 -19.910 1.00 21.44 H new ATOM 0 HG2 GLU B 32 8.163 4.597 -17.374 1.00 43.32 H new ATOM 0 HG3 GLU B 32 9.386 3.611 -18.150 1.00 43.32 H new ATOM 1989 N GLU B 33 7.419 7.027 -21.481 1.00 31.25 N ATOM 1990 CA GLU B 33 7.447 7.628 -22.802 1.00 1.33 C ATOM 1991 C GLU B 33 7.004 9.088 -22.772 1.00 70.21 C ATOM 1992 O GLU B 33 7.362 9.871 -23.645 1.00 44.34 O ATOM 1993 CB GLU B 33 6.616 6.823 -23.796 1.00 62.31 C ATOM 1994 CG GLU B 33 7.109 5.397 -23.991 1.00 72.52 C ATOM 1995 CD GLU B 33 8.564 5.338 -24.406 1.00 14.23 C ATOM 1996 OE1 GLU B 33 8.884 5.676 -25.556 1.00 1.20 O ATOM 1997 OE2 GLU B 33 9.409 4.951 -23.587 1.00 24.23 O ATOM 0 H GLU B 33 6.690 6.326 -21.350 1.00 31.25 H new ATOM 0 HA GLU B 33 8.483 7.610 -23.139 1.00 1.33 H new ATOM 0 HB2 GLU B 33 5.581 6.797 -23.454 1.00 62.31 H new ATOM 0 HB3 GLU B 33 6.621 7.335 -24.758 1.00 62.31 H new ATOM 0 HG2 GLU B 33 6.976 4.840 -23.063 1.00 72.52 H new ATOM 0 HG3 GLU B 33 6.498 4.905 -24.748 1.00 72.52 H new ATOM 2004 N LYS B 34 6.229 9.444 -21.769 1.00 52.22 N ATOM 2005 CA LYS B 34 5.737 10.809 -21.625 1.00 14.23 C ATOM 2006 C LYS B 34 6.684 11.681 -20.815 1.00 72.11 C ATOM 2007 O LYS B 34 6.484 12.889 -20.705 1.00 61.21 O ATOM 2008 CB LYS B 34 4.351 10.818 -20.995 1.00 63.44 C ATOM 2009 CG LYS B 34 3.271 10.222 -21.869 1.00 40.51 C ATOM 2010 CD LYS B 34 3.060 11.031 -23.151 1.00 70.44 C ATOM 2011 CE LYS B 34 2.537 12.420 -22.858 1.00 4.34 C ATOM 2012 NZ LYS B 34 2.350 13.218 -24.087 1.00 4.34 N ATOM 0 H LYS B 34 5.922 8.807 -21.034 1.00 52.22 H new ATOM 0 HA LYS B 34 5.678 11.231 -22.628 1.00 14.23 H new ATOM 0 HB2 LYS B 34 4.388 10.267 -20.055 1.00 63.44 H new ATOM 0 HB3 LYS B 34 4.081 11.846 -20.752 1.00 63.44 H new ATOM 0 HG2 LYS B 34 3.538 9.197 -22.127 1.00 40.51 H new ATOM 0 HG3 LYS B 34 2.336 10.177 -21.310 1.00 40.51 H new ATOM 0 HD2 LYS B 34 4.002 11.104 -23.694 1.00 70.44 H new ATOM 0 HD3 LYS B 34 2.358 10.507 -23.800 1.00 70.44 H new ATOM 0 HE2 LYS B 34 1.587 12.344 -22.328 1.00 4.34 H new ATOM 0 HE3 LYS B 34 3.232 12.935 -22.195 1.00 4.34 H new ATOM 0 HZ1 LYS B 34 1.991 14.161 -23.837 1.00 4.34 H new ATOM 0 HZ2 LYS B 34 3.260 13.314 -24.581 1.00 4.34 H new ATOM 0 HZ3 LYS B 34 1.667 12.741 -24.710 1.00 4.34 H new ATOM 2026 N GLY B 35 7.695 11.075 -20.246 1.00 34.11 N ATOM 2027 CA GLY B 35 8.653 11.824 -19.477 1.00 1.40 C ATOM 2028 C GLY B 35 8.119 12.233 -18.117 1.00 14.41 C ATOM 2029 O GLY B 35 8.370 13.349 -17.655 1.00 33.31 O ATOM 0 H GLY B 35 7.875 10.072 -20.300 1.00 34.11 H new ATOM 0 HA2 GLY B 35 9.554 11.225 -19.344 1.00 1.40 H new ATOM 0 HA3 GLY B 35 8.942 12.716 -20.033 1.00 1.40 H new ATOM 2033 N TYR B 36 7.366 11.359 -17.495 1.00 42.24 N ATOM 2034 CA TYR B 36 6.865 11.606 -16.155 1.00 55.34 C ATOM 2035 C TYR B 36 7.311 10.476 -15.254 1.00 54.04 C ATOM 2036 O TYR B 36 7.881 9.495 -15.731 1.00 63.53 O ATOM 2037 CB TYR B 36 5.327 11.686 -16.105 1.00 42.22 C ATOM 2038 CG TYR B 36 4.683 12.777 -16.925 1.00 23.22 C ATOM 2039 CD1 TYR B 36 3.918 12.460 -18.032 1.00 70.13 C ATOM 2040 CD2 TYR B 36 4.803 14.115 -16.572 1.00 52.41 C ATOM 2041 CE1 TYR B 36 3.297 13.439 -18.777 1.00 31.40 C ATOM 2042 CE2 TYR B 36 4.177 15.103 -17.310 1.00 74.00 C ATOM 2043 CZ TYR B 36 3.427 14.756 -18.413 1.00 71.23 C ATOM 2044 OH TYR B 36 2.793 15.732 -19.153 1.00 74.54 O ATOM 0 H TYR B 36 7.083 10.464 -17.894 1.00 42.24 H new ATOM 0 HA TYR B 36 7.263 12.567 -15.828 1.00 55.34 H new ATOM 0 HB2 TYR B 36 4.925 10.728 -16.435 1.00 42.22 H new ATOM 0 HB3 TYR B 36 5.026 11.817 -15.066 1.00 42.22 H new ATOM 0 HD1 TYR B 36 3.805 11.425 -18.319 1.00 70.13 H new ATOM 0 HD2 TYR B 36 5.393 14.388 -15.710 1.00 52.41 H new ATOM 0 HE1 TYR B 36 2.711 13.171 -19.643 1.00 31.40 H new ATOM 0 HE2 TYR B 36 4.275 16.140 -17.024 1.00 74.00 H new ATOM 0 HH TYR B 36 2.983 16.612 -18.765 1.00 74.54 H new ATOM 2054 N ASN B 37 7.057 10.609 -13.975 1.00 34.44 N ATOM 2055 CA ASN B 37 7.366 9.568 -13.015 1.00 33.32 C ATOM 2056 C ASN B 37 6.120 8.745 -12.764 1.00 1.43 C ATOM 2057 O ASN B 37 5.176 9.219 -12.115 1.00 2.44 O ATOM 2058 CB ASN B 37 7.868 10.149 -11.679 1.00 70.25 C ATOM 2059 CG ASN B 37 9.176 10.924 -11.776 1.00 62.51 C ATOM 2060 OD1 ASN B 37 10.052 10.528 -12.669 1.00 41.40 O flip ATOM 2061 ND2 ASN B 37 9.403 11.876 -11.015 1.00 44.50 N flip ATOM 0 H ASN B 37 6.630 11.441 -13.566 1.00 34.44 H new ATOM 0 HA ASN B 37 8.162 8.950 -13.430 1.00 33.32 H new ATOM 0 HB2 ASN B 37 7.100 10.807 -11.273 1.00 70.25 H new ATOM 0 HB3 ASN B 37 7.996 9.333 -10.968 1.00 70.25 H new ATOM 0 HD21 ASN B 37 8.702 12.160 -10.331 1.00 44.50 H new ATOM 0 HD22 ASN B 37 10.291 12.375 -11.073 1.00 44.50 H new ATOM 2068 N PRO B 38 6.079 7.504 -13.283 1.00 10.41 N ATOM 2069 CA PRO B 38 4.916 6.626 -13.147 1.00 3.02 C ATOM 2070 C PRO B 38 4.486 6.435 -11.711 1.00 32.10 C ATOM 2071 O PRO B 38 3.306 6.481 -11.410 1.00 74.24 O ATOM 2072 CB PRO B 38 5.401 5.297 -13.710 1.00 23.40 C ATOM 2073 CG PRO B 38 6.536 5.635 -14.612 1.00 54.23 C ATOM 2074 CD PRO B 38 7.166 6.872 -14.063 1.00 72.01 C ATOM 0 HA PRO B 38 4.048 7.044 -13.658 1.00 3.02 H new ATOM 0 HB2 PRO B 38 5.721 4.627 -12.912 1.00 23.40 H new ATOM 0 HB3 PRO B 38 4.606 4.788 -14.255 1.00 23.40 H new ATOM 0 HG2 PRO B 38 7.256 4.818 -14.650 1.00 54.23 H new ATOM 0 HG3 PRO B 38 6.185 5.799 -15.631 1.00 54.23 H new ATOM 0 HD2 PRO B 38 8.026 6.638 -13.435 1.00 72.01 H new ATOM 0 HD3 PRO B 38 7.521 7.527 -14.858 1.00 72.01 H new ATOM 2082 N ILE B 39 5.459 6.291 -10.834 1.00 73.02 N ATOM 2083 CA ILE B 39 5.217 6.015 -9.422 1.00 63.02 C ATOM 2084 C ILE B 39 4.361 7.096 -8.781 1.00 20.20 C ATOM 2085 O ILE B 39 3.388 6.789 -8.107 1.00 21.22 O ATOM 2086 CB ILE B 39 6.553 5.868 -8.644 1.00 1.30 C ATOM 2087 CG1 ILE B 39 7.424 4.772 -9.289 1.00 63.01 C ATOM 2088 CG2 ILE B 39 6.307 5.562 -7.162 1.00 62.12 C ATOM 2089 CD1 ILE B 39 6.768 3.403 -9.343 1.00 64.24 C ATOM 0 H ILE B 39 6.447 6.362 -11.077 1.00 73.02 H new ATOM 0 HA ILE B 39 4.674 5.071 -9.369 1.00 63.02 H new ATOM 0 HB ILE B 39 7.084 6.818 -8.699 1.00 1.30 H new ATOM 0 HG12 ILE B 39 7.682 5.079 -10.303 1.00 63.01 H new ATOM 0 HG13 ILE B 39 8.358 4.693 -8.733 1.00 63.01 H new ATOM 0 HG21 ILE B 39 7.263 5.465 -6.647 1.00 62.12 H new ATOM 0 HG22 ILE B 39 5.733 6.373 -6.713 1.00 62.12 H new ATOM 0 HG23 ILE B 39 5.750 4.630 -7.071 1.00 62.12 H new ATOM 0 HD11 ILE B 39 7.448 2.692 -9.811 1.00 64.24 H new ATOM 0 HD12 ILE B 39 6.536 3.071 -8.331 1.00 64.24 H new ATOM 0 HD13 ILE B 39 5.849 3.463 -9.925 1.00 64.24 H new ATOM 2101 N ASN B 40 4.696 8.351 -9.059 1.00 0.32 N ATOM 2102 CA ASN B 40 4.038 9.485 -8.517 1.00 21.11 C ATOM 2103 C ASN B 40 2.561 9.500 -8.902 1.00 70.25 C ATOM 2104 O ASN B 40 1.686 9.751 -8.069 1.00 22.24 O ATOM 2105 CB ASN B 40 4.743 10.685 -9.088 1.00 42.33 C ATOM 2106 CG ASN B 40 4.180 11.980 -8.666 1.00 70.24 C ATOM 2107 OD1 ASN B 40 3.662 12.142 -7.553 1.00 21.22 O ATOM 2108 ND2 ASN B 40 4.262 12.909 -9.536 1.00 43.34 N ATOM 0 H ASN B 40 5.460 8.591 -9.690 1.00 0.32 H new ATOM 0 HA ASN B 40 4.076 9.476 -7.428 1.00 21.11 H new ATOM 0 HB2 ASN B 40 5.793 10.647 -8.797 1.00 42.33 H new ATOM 0 HB3 ASN B 40 4.711 10.626 -10.176 1.00 42.33 H new ATOM 0 HD21 ASN B 40 3.891 13.836 -9.328 1.00 43.34 H new ATOM 0 HD22 ASN B 40 4.699 12.725 -10.439 1.00 43.34 H new ATOM 2115 N GLN B 41 2.286 9.227 -10.150 1.00 30.44 N ATOM 2116 CA GLN B 41 0.926 9.226 -10.623 1.00 15.53 C ATOM 2117 C GLN B 41 0.154 7.985 -10.147 1.00 13.51 C ATOM 2118 O GLN B 41 -1.038 8.071 -9.854 1.00 52.40 O ATOM 2119 CB GLN B 41 0.883 9.412 -12.132 1.00 31.23 C ATOM 2120 CG GLN B 41 1.547 10.728 -12.584 1.00 11.41 C ATOM 2121 CD GLN B 41 0.881 11.983 -12.035 1.00 75.54 C ATOM 2122 OE1 GLN B 41 1.546 12.993 -11.790 1.00 50.20 O ATOM 2123 NE2 GLN B 41 -0.425 11.959 -11.890 1.00 34.43 N ATOM 0 H GLN B 41 2.985 9.002 -10.858 1.00 30.44 H new ATOM 0 HA GLN B 41 0.410 10.079 -10.182 1.00 15.53 H new ATOM 0 HB2 GLN B 41 1.384 8.572 -12.613 1.00 31.23 H new ATOM 0 HB3 GLN B 41 -0.154 9.398 -12.467 1.00 31.23 H new ATOM 0 HG2 GLN B 41 2.592 10.720 -12.275 1.00 11.41 H new ATOM 0 HG3 GLN B 41 1.537 10.772 -13.673 1.00 11.41 H new ATOM 0 HE21 GLN B 41 -0.946 11.108 -12.101 1.00 34.43 H new ATOM 0 HE22 GLN B 41 -0.918 12.792 -11.566 1.00 34.43 H new ATOM 2132 N ILE B 42 0.845 6.843 -10.045 1.00 1.05 N ATOM 2133 CA ILE B 42 0.225 5.603 -9.559 1.00 74.32 C ATOM 2134 C ILE B 42 -0.178 5.740 -8.086 1.00 75.11 C ATOM 2135 O ILE B 42 -1.331 5.478 -7.730 1.00 34.13 O ATOM 2136 CB ILE B 42 1.146 4.351 -9.746 1.00 11.33 C ATOM 2137 CG1 ILE B 42 1.433 4.109 -11.239 1.00 42.55 C ATOM 2138 CG2 ILE B 42 0.500 3.108 -9.129 1.00 4.43 C ATOM 2139 CD1 ILE B 42 2.373 2.944 -11.514 1.00 15.35 C ATOM 0 H ILE B 42 1.831 6.751 -10.291 1.00 1.05 H new ATOM 0 HA ILE B 42 -0.666 5.444 -10.167 1.00 74.32 H new ATOM 0 HB ILE B 42 2.089 4.545 -9.234 1.00 11.33 H new ATOM 0 HG12 ILE B 42 0.489 3.929 -11.754 1.00 42.55 H new ATOM 0 HG13 ILE B 42 1.862 5.015 -11.666 1.00 42.55 H new ATOM 0 HG21 ILE B 42 1.156 2.249 -9.270 1.00 4.43 H new ATOM 0 HG22 ILE B 42 0.340 3.272 -8.063 1.00 4.43 H new ATOM 0 HG23 ILE B 42 -0.457 2.917 -9.614 1.00 4.43 H new ATOM 0 HD11 ILE B 42 2.522 2.843 -12.589 1.00 15.35 H new ATOM 0 HD12 ILE B 42 3.332 3.129 -11.031 1.00 15.35 H new ATOM 0 HD13 ILE B 42 1.939 2.025 -11.120 1.00 15.35 H new ATOM 2151 N VAL B 43 0.760 6.181 -7.239 1.00 51.34 N ATOM 2152 CA VAL B 43 0.467 6.375 -5.814 1.00 44.52 C ATOM 2153 C VAL B 43 -0.654 7.426 -5.645 1.00 21.35 C ATOM 2154 O VAL B 43 -1.535 7.283 -4.798 1.00 32.12 O ATOM 2155 CB VAL B 43 1.763 6.734 -4.959 1.00 64.24 C ATOM 2156 CG1 VAL B 43 2.442 7.996 -5.451 1.00 35.52 C ATOM 2157 CG2 VAL B 43 1.426 6.891 -3.487 1.00 3.34 C ATOM 0 H VAL B 43 1.717 6.408 -7.511 1.00 51.34 H new ATOM 0 HA VAL B 43 0.113 5.425 -5.414 1.00 44.52 H new ATOM 0 HB VAL B 43 2.452 5.899 -5.086 1.00 64.24 H new ATOM 0 HG11 VAL B 43 3.320 8.200 -4.838 1.00 35.52 H new ATOM 0 HG12 VAL B 43 2.747 7.864 -6.489 1.00 35.52 H new ATOM 0 HG13 VAL B 43 1.748 8.834 -5.381 1.00 35.52 H new ATOM 0 HG21 VAL B 43 2.331 7.136 -2.931 1.00 3.34 H new ATOM 0 HG22 VAL B 43 0.697 7.692 -3.364 1.00 3.34 H new ATOM 0 HG23 VAL B 43 1.008 5.958 -3.108 1.00 3.34 H new ATOM 2167 N GLY B 44 -0.645 8.433 -6.514 1.00 72.13 N ATOM 2168 CA GLY B 44 -1.666 9.464 -6.485 1.00 4.32 C ATOM 2169 C GLY B 44 -3.035 8.893 -6.792 1.00 34.12 C ATOM 2170 O GLY B 44 -4.032 9.246 -6.142 1.00 23.34 O ATOM 0 H GLY B 44 0.058 8.553 -7.243 1.00 72.13 H new ATOM 0 HA2 GLY B 44 -1.679 9.938 -5.503 1.00 4.32 H new ATOM 0 HA3 GLY B 44 -1.423 10.240 -7.210 1.00 4.32 H new ATOM 2174 N TYR B 45 -3.080 7.999 -7.779 1.00 53.43 N ATOM 2175 CA TYR B 45 -4.301 7.304 -8.146 1.00 2.54 C ATOM 2176 C TYR B 45 -4.798 6.480 -6.988 1.00 52.45 C ATOM 2177 O TYR B 45 -5.958 6.524 -6.642 1.00 23.41 O ATOM 2178 CB TYR B 45 -4.077 6.381 -9.375 1.00 13.03 C ATOM 2179 CG TYR B 45 -5.277 5.490 -9.709 1.00 64.10 C ATOM 2180 CD1 TYR B 45 -5.344 4.178 -9.248 1.00 61.13 C ATOM 2181 CD2 TYR B 45 -6.330 5.961 -10.463 1.00 31.50 C ATOM 2182 CE1 TYR B 45 -6.430 3.371 -9.532 1.00 10.14 C ATOM 2183 CE2 TYR B 45 -7.422 5.160 -10.750 1.00 60.44 C ATOM 2184 CZ TYR B 45 -7.466 3.870 -10.281 1.00 24.30 C ATOM 2185 OH TYR B 45 -8.557 3.076 -10.566 1.00 34.51 O ATOM 0 H TYR B 45 -2.270 7.740 -8.342 1.00 53.43 H new ATOM 0 HA TYR B 45 -5.045 8.057 -8.408 1.00 2.54 H new ATOM 0 HB2 TYR B 45 -3.843 6.998 -10.242 1.00 13.03 H new ATOM 0 HB3 TYR B 45 -3.208 5.749 -9.189 1.00 13.03 H new ATOM 0 HD1 TYR B 45 -4.531 3.783 -8.657 1.00 61.13 H new ATOM 0 HD2 TYR B 45 -6.303 6.974 -10.837 1.00 31.50 H new ATOM 0 HE1 TYR B 45 -6.463 2.355 -9.167 1.00 10.14 H new ATOM 0 HE2 TYR B 45 -8.238 5.549 -11.342 1.00 60.44 H new ATOM 0 HH TYR B 45 -8.859 2.629 -9.748 1.00 34.51 H new ATOM 2195 N LEU B 46 -3.912 5.757 -6.392 1.00 41.31 N ATOM 2196 CA LEU B 46 -4.254 4.852 -5.337 1.00 33.11 C ATOM 2197 C LEU B 46 -4.716 5.549 -4.052 1.00 31.11 C ATOM 2198 O LEU B 46 -5.597 5.061 -3.382 1.00 21.40 O ATOM 2199 CB LEU B 46 -3.137 3.846 -5.144 1.00 50.42 C ATOM 2200 CG LEU B 46 -2.891 2.967 -6.390 1.00 43.13 C ATOM 2201 CD1 LEU B 46 -1.642 2.150 -6.254 1.00 55.40 C ATOM 2202 CD2 LEU B 46 -4.081 2.059 -6.652 1.00 22.23 C ATOM 0 H LEU B 46 -2.919 5.774 -6.622 1.00 41.31 H new ATOM 0 HA LEU B 46 -5.142 4.295 -5.638 1.00 33.11 H new ATOM 0 HB2 LEU B 46 -2.218 4.376 -4.894 1.00 50.42 H new ATOM 0 HB3 LEU B 46 -3.376 3.205 -4.296 1.00 50.42 H new ATOM 0 HG LEU B 46 -2.763 3.639 -7.239 1.00 43.13 H new ATOM 0 HD11 LEU B 46 -1.503 1.545 -7.150 1.00 55.40 H new ATOM 0 HD12 LEU B 46 -0.786 2.813 -6.127 1.00 55.40 H new ATOM 0 HD13 LEU B 46 -1.727 1.497 -5.385 1.00 55.40 H new ATOM 0 HD21 LEU B 46 -3.886 1.449 -7.534 1.00 22.23 H new ATOM 0 HD22 LEU B 46 -4.241 1.411 -5.790 1.00 22.23 H new ATOM 0 HD23 LEU B 46 -4.971 2.665 -6.820 1.00 22.23 H new ATOM 2214 N LEU B 47 -4.149 6.683 -3.723 1.00 51.41 N ATOM 2215 CA LEU B 47 -4.625 7.440 -2.565 1.00 32.10 C ATOM 2216 C LEU B 47 -5.867 8.285 -2.859 1.00 4.05 C ATOM 2217 O LEU B 47 -6.440 8.871 -1.946 1.00 71.11 O ATOM 2218 CB LEU B 47 -3.523 8.318 -1.939 1.00 32.34 C ATOM 2219 CG LEU B 47 -2.467 7.614 -1.067 1.00 5.34 C ATOM 2220 CD1 LEU B 47 -1.677 6.573 -1.821 1.00 5.12 C ATOM 2221 CD2 LEU B 47 -1.545 8.621 -0.414 1.00 14.00 C ATOM 0 H LEU B 47 -3.368 7.107 -4.224 1.00 51.41 H new ATOM 0 HA LEU B 47 -4.913 6.680 -1.838 1.00 32.10 H new ATOM 0 HB2 LEU B 47 -3.004 8.834 -2.747 1.00 32.34 H new ATOM 0 HB3 LEU B 47 -4.006 9.083 -1.331 1.00 32.34 H new ATOM 0 HG LEU B 47 -3.015 7.083 -0.289 1.00 5.34 H new ATOM 0 HD11 LEU B 47 -0.950 6.113 -1.152 1.00 5.12 H new ATOM 0 HD12 LEU B 47 -2.354 5.808 -2.202 1.00 5.12 H new ATOM 0 HD13 LEU B 47 -1.156 7.045 -2.654 1.00 5.12 H new ATOM 0 HD21 LEU B 47 -0.809 8.098 0.196 1.00 14.00 H new ATOM 0 HD22 LEU B 47 -1.034 9.199 -1.184 1.00 14.00 H new ATOM 0 HD23 LEU B 47 -2.128 9.292 0.217 1.00 14.00 H new ATOM 2233 N SER B 48 -6.297 8.342 -4.112 1.00 43.33 N ATOM 2234 CA SER B 48 -7.433 9.193 -4.440 1.00 1.24 C ATOM 2235 C SER B 48 -8.593 8.436 -5.138 1.00 42.01 C ATOM 2236 O SER B 48 -9.741 8.866 -5.058 1.00 72.45 O ATOM 2237 CB SER B 48 -6.966 10.357 -5.310 1.00 75.01 C ATOM 2238 OG SER B 48 -5.881 11.068 -4.696 1.00 21.24 O ATOM 0 H SER B 48 -5.893 7.828 -4.895 1.00 43.33 H new ATOM 0 HA SER B 48 -7.834 9.561 -3.496 1.00 1.24 H new ATOM 0 HB2 SER B 48 -6.652 9.982 -6.284 1.00 75.01 H new ATOM 0 HB3 SER B 48 -7.798 11.040 -5.484 1.00 75.01 H new ATOM 0 HG SER B 48 -5.029 10.691 -5.001 1.00 21.24 H new ATOM 2244 N GLY B 49 -8.295 7.314 -5.792 1.00 52.53 N ATOM 2245 CA GLY B 49 -9.297 6.597 -6.557 1.00 13.01 C ATOM 2246 C GLY B 49 -9.878 7.438 -7.687 1.00 71.42 C ATOM 2247 O GLY B 49 -11.095 7.619 -7.772 1.00 61.11 O ATOM 0 H GLY B 49 -7.368 6.888 -5.804 1.00 52.53 H new ATOM 0 HA2 GLY B 49 -8.854 5.692 -6.972 1.00 13.01 H new ATOM 0 HA3 GLY B 49 -10.101 6.282 -5.892 1.00 13.01 H new ATOM 2251 N ASP B 50 -9.019 7.980 -8.540 1.00 53.01 N ATOM 2252 CA ASP B 50 -9.511 8.773 -9.657 1.00 44.33 C ATOM 2253 C ASP B 50 -8.691 8.492 -10.906 1.00 4.40 C ATOM 2254 O ASP B 50 -7.475 8.712 -10.916 1.00 21.51 O ATOM 2255 CB ASP B 50 -9.482 10.265 -9.351 1.00 65.11 C ATOM 2256 CG ASP B 50 -10.263 11.051 -10.380 1.00 45.33 C ATOM 2257 OD1 ASP B 50 -11.426 11.399 -10.091 1.00 34.34 O ATOM 2258 OD2 ASP B 50 -9.755 11.303 -11.486 1.00 22.04 O ATOM 0 H ASP B 50 -8.005 7.889 -8.484 1.00 53.01 H new ATOM 0 HA ASP B 50 -10.548 8.484 -9.827 1.00 44.33 H new ATOM 0 HB2 ASP B 50 -9.899 10.444 -8.360 1.00 65.11 H new ATOM 0 HB3 ASP B 50 -8.450 10.614 -9.330 1.00 65.11 H new ATOM 2263 N PRO B 51 -9.344 8.005 -11.970 1.00 32.54 N ATOM 2264 CA PRO B 51 -8.691 7.631 -13.250 1.00 42.53 C ATOM 2265 C PRO B 51 -7.814 8.733 -13.893 1.00 11.23 C ATOM 2266 O PRO B 51 -6.890 8.424 -14.662 1.00 43.54 O ATOM 2267 CB PRO B 51 -9.866 7.308 -14.164 1.00 13.10 C ATOM 2268 CG PRO B 51 -10.964 6.911 -13.247 1.00 23.11 C ATOM 2269 CD PRO B 51 -10.802 7.753 -12.022 1.00 51.54 C ATOM 0 HA PRO B 51 -7.990 6.813 -13.083 1.00 42.53 H new ATOM 0 HB2 PRO B 51 -10.147 8.172 -14.767 1.00 13.10 H new ATOM 0 HB3 PRO B 51 -9.619 6.503 -14.856 1.00 13.10 H new ATOM 0 HG2 PRO B 51 -11.937 7.077 -13.709 1.00 23.11 H new ATOM 0 HG3 PRO B 51 -10.904 5.851 -13.002 1.00 23.11 H new ATOM 0 HD2 PRO B 51 -11.368 8.682 -12.095 1.00 51.54 H new ATOM 0 HD3 PRO B 51 -11.153 7.235 -11.129 1.00 51.54 H new ATOM 2277 N ALA B 52 -8.093 10.000 -13.587 1.00 54.52 N ATOM 2278 CA ALA B 52 -7.370 11.122 -14.206 1.00 11.41 C ATOM 2279 C ALA B 52 -5.895 11.176 -13.801 1.00 22.13 C ATOM 2280 O ALA B 52 -5.094 11.855 -14.450 1.00 43.31 O ATOM 2281 CB ALA B 52 -8.045 12.441 -13.903 1.00 64.43 C ATOM 0 H ALA B 52 -8.810 10.279 -12.918 1.00 54.52 H new ATOM 0 HA ALA B 52 -7.402 10.946 -15.281 1.00 11.41 H new ATOM 0 HB1 ALA B 52 -7.488 13.251 -14.374 1.00 64.43 H new ATOM 0 HB2 ALA B 52 -9.063 12.427 -14.292 1.00 64.43 H new ATOM 0 HB3 ALA B 52 -8.071 12.597 -12.825 1.00 64.43 H new ATOM 2287 N TYR B 53 -5.534 10.457 -12.748 1.00 65.43 N ATOM 2288 CA TYR B 53 -4.153 10.422 -12.280 1.00 1.35 C ATOM 2289 C TYR B 53 -3.202 9.762 -13.244 1.00 34.43 C ATOM 2290 O TYR B 53 -2.000 10.003 -13.185 1.00 54.13 O ATOM 2291 CB TYR B 53 -4.041 9.770 -10.925 1.00 63.25 C ATOM 2292 CG TYR B 53 -4.443 10.683 -9.831 1.00 65.30 C ATOM 2293 CD1 TYR B 53 -3.528 11.567 -9.318 1.00 33.34 C ATOM 2294 CD2 TYR B 53 -5.717 10.679 -9.311 1.00 5.20 C ATOM 2295 CE1 TYR B 53 -3.858 12.424 -8.323 1.00 63.13 C ATOM 2296 CE2 TYR B 53 -6.066 11.539 -8.304 1.00 23.21 C ATOM 2297 CZ TYR B 53 -5.131 12.414 -7.808 1.00 63.21 C ATOM 2298 OH TYR B 53 -5.470 13.276 -6.788 1.00 2.12 O ATOM 0 H TYR B 53 -6.179 9.888 -12.199 1.00 65.43 H new ATOM 0 HA TYR B 53 -3.855 11.468 -12.203 1.00 1.35 H new ATOM 0 HB2 TYR B 53 -4.667 8.878 -10.900 1.00 63.25 H new ATOM 0 HB3 TYR B 53 -3.014 9.443 -10.764 1.00 63.25 H new ATOM 0 HD1 TYR B 53 -2.524 11.580 -9.716 1.00 33.34 H new ATOM 0 HD2 TYR B 53 -6.451 9.989 -9.702 1.00 5.20 H new ATOM 0 HE1 TYR B 53 -3.122 13.113 -7.936 1.00 63.13 H new ATOM 0 HE2 TYR B 53 -7.069 11.529 -7.903 1.00 23.21 H new ATOM 0 HH TYR B 53 -5.686 12.761 -5.983 1.00 2.12 H new ATOM 2308 N ILE B 54 -3.714 8.943 -14.124 1.00 63.32 N ATOM 2309 CA ILE B 54 -2.870 8.269 -15.079 1.00 71.34 C ATOM 2310 C ILE B 54 -2.977 8.951 -16.448 1.00 43.22 C ATOM 2311 O ILE B 54 -4.074 9.058 -17.006 1.00 61.44 O ATOM 2312 CB ILE B 54 -3.227 6.758 -15.197 1.00 44.11 C ATOM 2313 CG1 ILE B 54 -3.130 6.066 -13.818 1.00 12.43 C ATOM 2314 CG2 ILE B 54 -2.319 6.055 -16.213 1.00 45.05 C ATOM 2315 CD1 ILE B 54 -1.763 6.156 -13.154 1.00 14.23 C ATOM 0 H ILE B 54 -4.708 8.726 -14.201 1.00 63.32 H new ATOM 0 HA ILE B 54 -1.842 8.337 -14.723 1.00 71.34 H new ATOM 0 HB ILE B 54 -4.255 6.683 -15.552 1.00 44.11 H new ATOM 0 HG12 ILE B 54 -3.872 6.508 -13.152 1.00 12.43 H new ATOM 0 HG13 ILE B 54 -3.393 5.015 -13.935 1.00 12.43 H new ATOM 0 HG21 ILE B 54 -2.590 5.001 -16.275 1.00 45.05 H new ATOM 0 HG22 ILE B 54 -2.440 6.519 -17.192 1.00 45.05 H new ATOM 0 HG23 ILE B 54 -1.280 6.144 -15.895 1.00 45.05 H new ATOM 0 HD11 ILE B 54 -1.791 5.643 -12.193 1.00 14.23 H new ATOM 0 HD12 ILE B 54 -1.016 5.687 -13.794 1.00 14.23 H new ATOM 0 HD13 ILE B 54 -1.502 7.203 -12.999 1.00 14.23 H new ATOM 2327 N PRO B 55 -1.839 9.478 -16.972 1.00 2.41 N ATOM 2328 CA PRO B 55 -1.759 10.111 -18.303 1.00 33.03 C ATOM 2329 C PRO B 55 -2.421 9.277 -19.412 1.00 54.04 C ATOM 2330 O PRO B 55 -2.373 8.040 -19.410 1.00 43.12 O ATOM 2331 CB PRO B 55 -0.253 10.205 -18.531 1.00 12.44 C ATOM 2332 CG PRO B 55 0.275 10.436 -17.170 1.00 15.22 C ATOM 2333 CD PRO B 55 -0.538 9.540 -16.279 1.00 43.53 C ATOM 0 HA PRO B 55 -2.285 11.065 -18.336 1.00 33.03 H new ATOM 0 HB2 PRO B 55 0.147 9.291 -18.969 1.00 12.44 H new ATOM 0 HB3 PRO B 55 0.003 11.021 -19.207 1.00 12.44 H new ATOM 0 HG2 PRO B 55 1.336 10.193 -17.112 1.00 15.22 H new ATOM 0 HG3 PRO B 55 0.171 11.481 -16.879 1.00 15.22 H new ATOM 0 HD2 PRO B 55 -0.087 8.553 -16.178 1.00 43.53 H new ATOM 0 HD3 PRO B 55 -0.635 9.950 -15.274 1.00 43.53 H new ATOM 2341 N ARG B 56 -2.978 9.966 -20.378 1.00 33.15 N ATOM 2342 CA ARG B 56 -3.768 9.338 -21.441 1.00 15.14 C ATOM 2343 C ARG B 56 -2.939 8.992 -22.667 1.00 71.31 C ATOM 2344 O ARG B 56 -3.457 8.921 -23.778 1.00 34.15 O ATOM 2345 CB ARG B 56 -5.045 10.153 -21.828 1.00 23.24 C ATOM 2346 CG ARG B 56 -4.845 11.615 -22.260 1.00 53.51 C ATOM 2347 CD ARG B 56 -4.566 12.535 -21.080 1.00 13.52 C ATOM 2348 NE ARG B 56 -4.326 13.908 -21.497 1.00 43.00 N ATOM 2349 CZ ARG B 56 -3.933 14.892 -20.680 1.00 33.12 C ATOM 2350 NH1 ARG B 56 -3.730 14.650 -19.382 1.00 64.41 N ATOM 2351 NH2 ARG B 56 -3.744 16.109 -21.159 1.00 2.41 N ATOM 0 H ARG B 56 -2.904 10.980 -20.461 1.00 33.15 H new ATOM 0 HA ARG B 56 -4.116 8.398 -21.013 1.00 15.14 H new ATOM 0 HB2 ARG B 56 -5.547 9.627 -22.640 1.00 23.24 H new ATOM 0 HB3 ARG B 56 -5.723 10.143 -20.974 1.00 23.24 H new ATOM 0 HG2 ARG B 56 -4.017 11.672 -22.966 1.00 53.51 H new ATOM 0 HG3 ARG B 56 -5.735 11.961 -22.785 1.00 53.51 H new ATOM 0 HD2 ARG B 56 -5.412 12.509 -20.393 1.00 13.52 H new ATOM 0 HD3 ARG B 56 -3.699 12.167 -20.532 1.00 13.52 H new ATOM 0 HE ARG B 56 -4.467 14.136 -22.481 1.00 43.00 H new ATOM 0 HH11 ARG B 56 -3.875 13.712 -19.009 1.00 64.41 H new ATOM 0 HH12 ARG B 56 -3.430 15.404 -18.763 1.00 64.41 H new ATOM 0 HH21 ARG B 56 -3.898 16.297 -22.150 1.00 2.41 H new ATOM 0 HH22 ARG B 56 -3.444 16.861 -20.538 1.00 2.41 H new ATOM 2365 N TYR B 57 -1.672 8.711 -22.446 1.00 12.24 N ATOM 2366 CA TYR B 57 -0.775 8.295 -23.509 1.00 73.33 C ATOM 2367 C TYR B 57 -1.179 6.949 -24.086 1.00 63.14 C ATOM 2368 O TYR B 57 -1.120 6.742 -25.290 1.00 21.32 O ATOM 2369 CB TYR B 57 0.666 8.202 -22.992 1.00 73.44 C ATOM 2370 CG TYR B 57 1.646 7.605 -23.997 1.00 31.34 C ATOM 2371 CD1 TYR B 57 2.130 8.351 -25.054 1.00 72.22 C ATOM 2372 CD2 TYR B 57 2.064 6.280 -23.885 1.00 53.23 C ATOM 2373 CE1 TYR B 57 3.002 7.816 -25.968 1.00 23.30 C ATOM 2374 CE2 TYR B 57 2.936 5.728 -24.800 1.00 3.02 C ATOM 2375 CZ TYR B 57 3.405 6.501 -25.841 1.00 14.40 C ATOM 2376 OH TYR B 57 4.275 5.960 -26.764 1.00 11.35 O ATOM 0 H TYR B 57 -1.233 8.764 -21.527 1.00 12.24 H new ATOM 0 HA TYR B 57 -0.839 9.048 -24.295 1.00 73.33 H new ATOM 0 HB2 TYR B 57 1.007 9.199 -22.715 1.00 73.44 H new ATOM 0 HB3 TYR B 57 0.678 7.598 -22.085 1.00 73.44 H new ATOM 0 HD1 TYR B 57 1.815 9.378 -25.163 1.00 72.22 H new ATOM 0 HD2 TYR B 57 1.699 5.675 -23.068 1.00 53.23 H new ATOM 0 HE1 TYR B 57 3.372 8.420 -26.783 1.00 23.30 H new ATOM 0 HE2 TYR B 57 3.249 4.699 -24.702 1.00 3.02 H new ATOM 0 HH TYR B 57 4.460 5.026 -26.531 1.00 11.35 H new ATOM 2386 N GLN B 58 -1.584 6.050 -23.235 1.00 64.12 N ATOM 2387 CA GLN B 58 -1.857 4.714 -23.665 1.00 14.13 C ATOM 2388 C GLN B 58 -3.082 4.198 -22.935 1.00 1.32 C ATOM 2389 O GLN B 58 -3.549 4.820 -21.963 1.00 54.23 O ATOM 2390 CB GLN B 58 -0.619 3.841 -23.343 1.00 22.43 C ATOM 2391 CG GLN B 58 -0.636 2.436 -23.910 1.00 50.03 C ATOM 2392 CD GLN B 58 0.632 1.672 -23.606 1.00 61.41 C ATOM 2393 OE1 GLN B 58 1.294 1.905 -22.591 1.00 5.23 O ATOM 2394 NE2 GLN B 58 0.976 0.768 -24.469 1.00 0.30 N ATOM 0 H GLN B 58 -1.732 6.220 -22.240 1.00 64.12 H new ATOM 0 HA GLN B 58 -2.055 4.681 -24.736 1.00 14.13 H new ATOM 0 HB2 GLN B 58 0.269 4.352 -23.716 1.00 22.43 H new ATOM 0 HB3 GLN B 58 -0.517 3.774 -22.260 1.00 22.43 H new ATOM 0 HG2 GLN B 58 -1.489 1.894 -23.502 1.00 50.03 H new ATOM 0 HG3 GLN B 58 -0.776 2.485 -24.990 1.00 50.03 H new ATOM 0 HE21 GLN B 58 0.400 0.607 -25.295 1.00 0.30 H new ATOM 0 HE22 GLN B 58 1.822 0.218 -24.322 1.00 0.30 H new ATOM 2403 N ASP B 59 -3.580 3.059 -23.390 1.00 21.40 N ATOM 2404 CA ASP B 59 -4.722 2.349 -22.807 1.00 63.33 C ATOM 2405 C ASP B 59 -4.535 2.025 -21.324 1.00 3.30 C ATOM 2406 O ASP B 59 -5.479 1.645 -20.664 1.00 42.41 O ATOM 2407 CB ASP B 59 -5.064 1.073 -23.605 1.00 73.13 C ATOM 2408 CG ASP B 59 -3.905 0.104 -23.758 1.00 33.50 C ATOM 2409 OD1 ASP B 59 -3.680 -0.720 -22.878 1.00 42.01 O ATOM 2410 OD2 ASP B 59 -3.216 0.160 -24.799 1.00 63.11 O ATOM 0 H ASP B 59 -3.191 2.582 -24.203 1.00 21.40 H new ATOM 0 HA ASP B 59 -5.565 3.036 -22.875 1.00 63.33 H new ATOM 0 HB2 ASP B 59 -5.889 0.560 -23.111 1.00 73.13 H new ATOM 0 HB3 ASP B 59 -5.415 1.361 -24.596 1.00 73.13 H new ATOM 2415 N ALA B 60 -3.313 2.190 -20.815 1.00 20.21 N ATOM 2416 CA ALA B 60 -2.979 1.965 -19.403 1.00 21.31 C ATOM 2417 C ALA B 60 -3.964 2.678 -18.460 1.00 35.15 C ATOM 2418 O ALA B 60 -4.372 2.117 -17.440 1.00 1.31 O ATOM 2419 CB ALA B 60 -1.567 2.444 -19.131 1.00 41.14 C ATOM 0 H ALA B 60 -2.515 2.487 -21.377 1.00 20.21 H new ATOM 0 HA ALA B 60 -3.052 0.895 -19.209 1.00 21.31 H new ATOM 0 HB1 ALA B 60 -1.321 2.276 -18.082 1.00 41.14 H new ATOM 0 HB2 ALA B 60 -0.868 1.893 -19.760 1.00 41.14 H new ATOM 0 HB3 ALA B 60 -1.494 3.508 -19.355 1.00 41.14 H new ATOM 2425 N ARG B 61 -4.353 3.901 -18.824 1.00 5.04 N ATOM 2426 CA ARG B 61 -5.332 4.664 -18.047 1.00 64.23 C ATOM 2427 C ARG B 61 -6.697 3.974 -18.022 1.00 24.44 C ATOM 2428 O ARG B 61 -7.421 4.046 -17.052 1.00 1.40 O ATOM 2429 CB ARG B 61 -5.401 6.166 -18.492 1.00 40.52 C ATOM 2430 CG ARG B 61 -5.560 6.434 -20.006 1.00 44.11 C ATOM 2431 CD ARG B 61 -6.898 6.006 -20.574 1.00 55.04 C ATOM 2432 NE ARG B 61 -6.921 6.081 -22.039 1.00 71.31 N ATOM 2433 CZ ARG B 61 -8.001 5.871 -22.801 1.00 45.10 C ATOM 2434 NH1 ARG B 61 -9.191 5.644 -22.239 1.00 43.43 N ATOM 2435 NH2 ARG B 61 -7.892 5.906 -24.120 1.00 44.42 N ATOM 0 H ARG B 61 -4.005 4.385 -19.652 1.00 5.04 H new ATOM 0 HA ARG B 61 -4.985 4.682 -17.014 1.00 64.23 H new ATOM 0 HB2 ARG B 61 -6.236 6.637 -17.973 1.00 40.52 H new ATOM 0 HB3 ARG B 61 -4.493 6.664 -18.152 1.00 40.52 H new ATOM 0 HG2 ARG B 61 -5.423 7.499 -20.192 1.00 44.11 H new ATOM 0 HG3 ARG B 61 -4.767 5.912 -20.541 1.00 44.11 H new ATOM 0 HD2 ARG B 61 -7.116 4.985 -20.260 1.00 55.04 H new ATOM 0 HD3 ARG B 61 -7.685 6.640 -20.166 1.00 55.04 H new ATOM 0 HE ARG B 61 -6.047 6.311 -22.513 1.00 71.31 H new ATOM 0 HH11 ARG B 61 -9.281 5.630 -21.223 1.00 43.43 H new ATOM 0 HH12 ARG B 61 -10.010 5.485 -22.826 1.00 43.43 H new ATOM 0 HH21 ARG B 61 -6.987 6.093 -24.552 1.00 44.42 H new ATOM 0 HH22 ARG B 61 -8.713 5.746 -24.704 1.00 44.42 H new ATOM 2449 N ASN B 62 -7.020 3.316 -19.109 1.00 12.21 N ATOM 2450 CA ASN B 62 -8.265 2.588 -19.251 1.00 63.42 C ATOM 2451 C ASN B 62 -8.165 1.264 -18.474 1.00 43.10 C ATOM 2452 O ASN B 62 -9.082 0.871 -17.764 1.00 63.12 O ATOM 2453 CB ASN B 62 -8.531 2.309 -20.741 1.00 12.21 C ATOM 2454 CG ASN B 62 -9.885 1.697 -21.008 1.00 75.03 C ATOM 2455 OD1 ASN B 62 -10.861 1.993 -20.327 1.00 52.33 O ATOM 2456 ND2 ASN B 62 -9.960 0.848 -21.996 1.00 41.41 N ATOM 0 H ASN B 62 -6.420 3.268 -19.933 1.00 12.21 H new ATOM 0 HA ASN B 62 -9.089 3.179 -18.851 1.00 63.42 H new ATOM 0 HB2 ASN B 62 -8.447 3.242 -21.298 1.00 12.21 H new ATOM 0 HB3 ASN B 62 -7.758 1.641 -21.121 1.00 12.21 H new ATOM 0 HD21 ASN B 62 -10.851 0.407 -22.223 1.00 41.41 H new ATOM 0 HD22 ASN B 62 -9.127 0.625 -22.541 1.00 41.41 H new ATOM 2463 N LEU B 63 -7.008 0.606 -18.613 1.00 71.42 N ATOM 2464 CA LEU B 63 -6.713 -0.696 -17.980 1.00 53.43 C ATOM 2465 C LEU B 63 -6.826 -0.622 -16.473 1.00 54.41 C ATOM 2466 O LEU B 63 -7.431 -1.491 -15.836 1.00 24.12 O ATOM 2467 CB LEU B 63 -5.284 -1.150 -18.306 1.00 55.04 C ATOM 2468 CG LEU B 63 -4.904 -1.288 -19.770 1.00 43.43 C ATOM 2469 CD1 LEU B 63 -3.455 -1.719 -19.885 1.00 52.23 C ATOM 2470 CD2 LEU B 63 -5.810 -2.279 -20.479 1.00 22.30 C ATOM 0 H LEU B 63 -6.236 0.964 -19.175 1.00 71.42 H new ATOM 0 HA LEU B 63 -7.444 -1.402 -18.375 1.00 53.43 H new ATOM 0 HB2 LEU B 63 -4.594 -0.443 -17.846 1.00 55.04 H new ATOM 0 HB3 LEU B 63 -5.120 -2.114 -17.825 1.00 55.04 H new ATOM 0 HG LEU B 63 -5.029 -0.319 -20.253 1.00 43.43 H new ATOM 0 HD11 LEU B 63 -3.187 -1.817 -20.937 1.00 52.23 H new ATOM 0 HD12 LEU B 63 -2.815 -0.972 -19.415 1.00 52.23 H new ATOM 0 HD13 LEU B 63 -3.320 -2.678 -19.386 1.00 52.23 H new ATOM 0 HD21 LEU B 63 -5.515 -2.358 -21.525 1.00 22.30 H new ATOM 0 HD22 LEU B 63 -5.724 -3.256 -20.003 1.00 22.30 H new ATOM 0 HD23 LEU B 63 -6.843 -1.936 -20.418 1.00 22.30 H new ATOM 2482 N ILE B 64 -6.248 0.418 -15.900 1.00 11.34 N ATOM 2483 CA ILE B 64 -6.204 0.571 -14.462 1.00 73.45 C ATOM 2484 C ILE B 64 -7.628 0.774 -13.886 1.00 63.23 C ATOM 2485 O ILE B 64 -7.895 0.468 -12.732 1.00 45.42 O ATOM 2486 CB ILE B 64 -5.224 1.724 -14.062 1.00 73.22 C ATOM 2487 CG1 ILE B 64 -4.911 1.704 -12.565 1.00 11.33 C ATOM 2488 CG2 ILE B 64 -5.786 3.084 -14.468 1.00 0.45 C ATOM 2489 CD1 ILE B 64 -3.831 2.698 -12.163 1.00 1.42 C ATOM 0 H ILE B 64 -5.799 1.174 -16.417 1.00 11.34 H new ATOM 0 HA ILE B 64 -5.815 -0.346 -14.021 1.00 73.45 H new ATOM 0 HB ILE B 64 -4.292 1.557 -14.602 1.00 73.22 H new ATOM 0 HG12 ILE B 64 -5.822 1.922 -12.007 1.00 11.33 H new ATOM 0 HG13 ILE B 64 -4.596 0.700 -12.280 1.00 11.33 H new ATOM 0 HG21 ILE B 64 -5.086 3.868 -14.179 1.00 0.45 H new ATOM 0 HG22 ILE B 64 -5.933 3.109 -15.548 1.00 0.45 H new ATOM 0 HG23 ILE B 64 -6.741 3.247 -13.968 1.00 0.45 H new ATOM 0 HD11 ILE B 64 -3.658 2.632 -11.089 1.00 1.42 H new ATOM 0 HD12 ILE B 64 -2.908 2.467 -12.694 1.00 1.42 H new ATOM 0 HD13 ILE B 64 -4.153 3.708 -12.417 1.00 1.42 H new ATOM 2501 N ARG B 65 -8.554 1.202 -14.759 1.00 72.54 N ATOM 2502 CA ARG B 65 -9.950 1.438 -14.392 1.00 72.42 C ATOM 2503 C ARG B 65 -10.727 0.132 -14.315 1.00 74.40 C ATOM 2504 O ARG B 65 -11.900 0.114 -13.980 1.00 22.21 O ATOM 2505 CB ARG B 65 -10.618 2.356 -15.393 1.00 53.20 C ATOM 2506 CG ARG B 65 -10.011 3.729 -15.487 1.00 4.03 C ATOM 2507 CD ARG B 65 -10.729 4.548 -16.532 1.00 4.20 C ATOM 2508 NE ARG B 65 -12.147 4.690 -16.209 1.00 23.42 N ATOM 2509 CZ ARG B 65 -13.102 5.009 -17.076 1.00 2.24 C ATOM 2510 NH1 ARG B 65 -12.795 5.278 -18.340 1.00 42.50 N ATOM 2511 NH2 ARG B 65 -14.361 5.074 -16.674 1.00 21.32 N ATOM 0 H ARG B 65 -8.350 1.393 -15.740 1.00 72.54 H new ATOM 0 HA ARG B 65 -9.953 1.909 -13.409 1.00 72.42 H new ATOM 0 HB2 ARG B 65 -10.580 1.888 -16.377 1.00 53.20 H new ATOM 0 HB3 ARG B 65 -11.671 2.456 -15.128 1.00 53.20 H new ATOM 0 HG2 ARG B 65 -10.071 4.228 -14.520 1.00 4.03 H new ATOM 0 HG3 ARG B 65 -8.954 3.650 -15.740 1.00 4.03 H new ATOM 0 HD2 ARG B 65 -10.269 5.534 -16.605 1.00 4.20 H new ATOM 0 HD3 ARG B 65 -10.621 4.073 -17.507 1.00 4.20 H new ATOM 0 HE ARG B 65 -12.426 4.532 -15.241 1.00 23.42 H new ATOM 0 HH11 ARG B 65 -11.823 5.240 -18.648 1.00 42.50 H new ATOM 0 HH12 ARG B 65 -13.531 5.522 -19.003 1.00 42.50 H new ATOM 0 HH21 ARG B 65 -14.596 4.879 -15.701 1.00 21.32 H new ATOM 0 HH22 ARG B 65 -15.096 5.319 -17.337 1.00 21.32 H new ATOM 2525 N ARG B 66 -10.077 -0.961 -14.674 1.00 43.31 N ATOM 2526 CA ARG B 66 -10.655 -2.303 -14.537 1.00 4.52 C ATOM 2527 C ARG B 66 -10.376 -2.825 -13.141 1.00 63.40 C ATOM 2528 O ARG B 66 -10.603 -3.992 -12.827 1.00 30.40 O ATOM 2529 CB ARG B 66 -10.099 -3.270 -15.603 1.00 20.24 C ATOM 2530 CG ARG B 66 -10.777 -3.267 -17.003 1.00 22.40 C ATOM 2531 CD ARG B 66 -10.878 -1.899 -17.695 1.00 50.12 C ATOM 2532 NE ARG B 66 -11.876 -0.997 -17.072 1.00 55.32 N ATOM 2533 CZ ARG B 66 -12.602 -0.080 -17.736 1.00 31.23 C ATOM 2534 NH1 ARG B 66 -12.512 0.018 -19.053 1.00 42.13 N ATOM 2535 NH2 ARG B 66 -13.430 0.726 -17.077 1.00 13.23 N ATOM 0 H ARG B 66 -9.136 -0.953 -15.068 1.00 43.31 H new ATOM 0 HA ARG B 66 -11.732 -2.238 -14.694 1.00 4.52 H new ATOM 0 HB2 ARG B 66 -9.042 -3.045 -15.742 1.00 20.24 H new ATOM 0 HB3 ARG B 66 -10.160 -4.282 -15.203 1.00 20.24 H new ATOM 0 HG2 ARG B 66 -10.224 -3.943 -17.655 1.00 22.40 H new ATOM 0 HG3 ARG B 66 -11.782 -3.676 -16.900 1.00 22.40 H new ATOM 0 HD2 ARG B 66 -9.901 -1.417 -17.675 1.00 50.12 H new ATOM 0 HD3 ARG B 66 -11.138 -2.048 -18.743 1.00 50.12 H new ATOM 0 HE ARG B 66 -12.023 -1.078 -16.066 1.00 55.32 H new ATOM 0 HH11 ARG B 66 -11.890 -0.604 -19.569 1.00 42.13 H new ATOM 0 HH12 ARG B 66 -13.065 0.715 -19.551 1.00 42.13 H new ATOM 0 HH21 ARG B 66 -13.516 0.650 -16.063 1.00 13.23 H new ATOM 0 HH22 ARG B 66 -13.978 1.420 -17.585 1.00 13.23 H new ATOM 2549 N HIS B 67 -9.870 -1.945 -12.316 1.00 4.34 N ATOM 2550 CA HIS B 67 -9.580 -2.220 -10.946 1.00 44.22 C ATOM 2551 C HIS B 67 -10.119 -1.051 -10.167 1.00 31.02 C ATOM 2552 O HIS B 67 -10.344 0.009 -10.750 1.00 44.41 O ATOM 2553 CB HIS B 67 -8.060 -2.332 -10.715 1.00 13.12 C ATOM 2554 CG HIS B 67 -7.370 -3.348 -11.580 1.00 64.33 C ATOM 2555 ND1 HIS B 67 -7.254 -4.669 -11.247 1.00 74.03 N ATOM 2556 CD2 HIS B 67 -6.761 -3.216 -12.782 1.00 42.01 C ATOM 2557 CE1 HIS B 67 -6.611 -5.310 -12.192 1.00 0.13 C ATOM 2558 NE2 HIS B 67 -6.299 -4.453 -13.137 1.00 54.24 N ATOM 0 H HIS B 67 -9.644 -0.990 -12.595 1.00 4.34 H new ATOM 0 HA HIS B 67 -10.027 -3.165 -10.638 1.00 44.22 H new ATOM 0 HB2 HIS B 67 -7.606 -1.357 -10.890 1.00 13.12 H new ATOM 0 HB3 HIS B 67 -7.882 -2.583 -9.669 1.00 13.12 H new ATOM 0 HD1 HIS B 67 -7.614 -5.092 -10.391 1.00 74.03 H new ATOM 0 HD2 HIS B 67 -6.659 -2.305 -13.353 1.00 42.01 H new ATOM 0 HE1 HIS B 67 -6.377 -6.364 -12.193 1.00 0.13 H new ATOM 2567 N GLU B 68 -10.359 -1.222 -8.898 1.00 75.11 N ATOM 2568 CA GLU B 68 -10.861 -0.121 -8.098 1.00 5.32 C ATOM 2569 C GLU B 68 -9.736 0.792 -7.631 1.00 51.13 C ATOM 2570 O GLU B 68 -9.427 1.805 -8.259 1.00 73.11 O ATOM 2571 CB GLU B 68 -11.656 -0.621 -6.884 1.00 33.35 C ATOM 2572 CG GLU B 68 -12.884 -1.430 -7.222 1.00 22.42 C ATOM 2573 CD GLU B 68 -13.864 -0.654 -8.040 1.00 61.21 C ATOM 2574 OE1 GLU B 68 -14.621 0.152 -7.465 1.00 1.04 O ATOM 2575 OE2 GLU B 68 -13.901 -0.842 -9.265 1.00 35.42 O ATOM 0 H GLU B 68 -10.220 -2.097 -8.393 1.00 75.11 H new ATOM 0 HA GLU B 68 -11.529 0.451 -8.742 1.00 5.32 H new ATOM 0 HB2 GLU B 68 -10.998 -1.228 -6.261 1.00 33.35 H new ATOM 0 HB3 GLU B 68 -11.958 0.239 -6.286 1.00 33.35 H new ATOM 0 HG2 GLU B 68 -12.588 -2.326 -7.767 1.00 22.42 H new ATOM 0 HG3 GLU B 68 -13.364 -1.761 -6.301 1.00 22.42 H new ATOM 2582 N ARG B 69 -9.098 0.388 -6.559 1.00 21.20 N ATOM 2583 CA ARG B 69 -8.063 1.169 -5.922 1.00 12.40 C ATOM 2584 C ARG B 69 -7.383 0.295 -4.879 1.00 63.42 C ATOM 2585 O ARG B 69 -6.201 -0.040 -4.984 1.00 32.34 O ATOM 2586 CB ARG B 69 -8.715 2.376 -5.211 1.00 12.32 C ATOM 2587 CG ARG B 69 -7.772 3.262 -4.458 1.00 20.41 C ATOM 2588 CD ARG B 69 -8.532 4.160 -3.488 1.00 45.13 C ATOM 2589 NE ARG B 69 -9.189 3.375 -2.412 1.00 22.44 N ATOM 2590 CZ ARG B 69 -9.605 3.878 -1.239 1.00 0.35 C ATOM 2591 NH1 ARG B 69 -9.529 5.170 -1.007 1.00 20.33 N ATOM 2592 NH2 ARG B 69 -10.100 3.073 -0.304 1.00 0.04 N ATOM 0 H ARG B 69 -9.285 -0.503 -6.098 1.00 21.20 H new ATOM 0 HA ARG B 69 -7.340 1.518 -6.659 1.00 12.40 H new ATOM 0 HB2 ARG B 69 -9.236 2.978 -5.956 1.00 12.32 H new ATOM 0 HB3 ARG B 69 -9.469 2.004 -4.518 1.00 12.32 H new ATOM 0 HG2 ARG B 69 -7.053 2.653 -3.910 1.00 20.41 H new ATOM 0 HG3 ARG B 69 -7.203 3.874 -5.158 1.00 20.41 H new ATOM 0 HD2 ARG B 69 -7.845 4.881 -3.045 1.00 45.13 H new ATOM 0 HD3 ARG B 69 -9.284 4.730 -4.033 1.00 45.13 H new ATOM 0 HE ARG B 69 -9.335 2.379 -2.577 1.00 22.44 H new ATOM 0 HH11 ARG B 69 -9.153 5.795 -1.720 1.00 20.33 H new ATOM 0 HH12 ARG B 69 -9.846 5.547 -0.114 1.00 20.33 H new ATOM 0 HH21 ARG B 69 -10.165 2.070 -0.477 1.00 0.04 H new ATOM 0 HH22 ARG B 69 -10.415 3.459 0.586 1.00 0.04 H new ATOM 2606 N ASP B 70 -8.181 -0.098 -3.904 1.00 65.14 N ATOM 2607 CA ASP B 70 -7.770 -0.896 -2.746 1.00 32.15 C ATOM 2608 C ASP B 70 -7.108 -2.184 -3.184 1.00 12.11 C ATOM 2609 O ASP B 70 -6.054 -2.529 -2.697 1.00 55.20 O ATOM 2610 CB ASP B 70 -9.005 -1.217 -1.890 1.00 50.43 C ATOM 2611 CG ASP B 70 -9.767 0.022 -1.453 1.00 40.42 C ATOM 2612 OD1 ASP B 70 -10.200 0.811 -2.331 1.00 3.34 O ATOM 2613 OD2 ASP B 70 -9.982 0.216 -0.241 1.00 24.25 O ATOM 0 H ASP B 70 -9.174 0.135 -3.889 1.00 65.14 H new ATOM 0 HA ASP B 70 -7.050 -0.322 -2.164 1.00 32.15 H new ATOM 0 HB2 ASP B 70 -9.673 -1.866 -2.456 1.00 50.43 H new ATOM 0 HB3 ASP B 70 -8.692 -1.774 -1.007 1.00 50.43 H new ATOM 2618 N GLU B 71 -7.720 -2.841 -4.164 1.00 1.01 N ATOM 2619 CA GLU B 71 -7.256 -4.123 -4.715 1.00 42.31 C ATOM 2620 C GLU B 71 -5.779 -4.064 -5.141 1.00 53.32 C ATOM 2621 O GLU B 71 -4.992 -4.974 -4.840 1.00 32.04 O ATOM 2622 CB GLU B 71 -8.110 -4.448 -5.935 1.00 62.14 C ATOM 2623 CG GLU B 71 -7.763 -5.739 -6.637 1.00 40.31 C ATOM 2624 CD GLU B 71 -8.545 -5.900 -7.908 1.00 54.33 C ATOM 2625 OE1 GLU B 71 -8.046 -5.515 -8.966 1.00 53.12 O ATOM 2626 OE2 GLU B 71 -9.684 -6.375 -7.860 1.00 1.01 O ATOM 0 H GLU B 71 -8.570 -2.496 -4.611 1.00 1.01 H new ATOM 0 HA GLU B 71 -7.349 -4.888 -3.944 1.00 42.31 H new ATOM 0 HB2 GLU B 71 -9.155 -4.490 -5.627 1.00 62.14 H new ATOM 0 HB3 GLU B 71 -8.021 -3.629 -6.649 1.00 62.14 H new ATOM 0 HG2 GLU B 71 -6.696 -5.758 -6.860 1.00 40.31 H new ATOM 0 HG3 GLU B 71 -7.965 -6.581 -5.975 1.00 40.31 H new ATOM 2633 N ILE B 72 -5.411 -2.987 -5.818 1.00 50.53 N ATOM 2634 CA ILE B 72 -4.059 -2.815 -6.318 1.00 70.00 C ATOM 2635 C ILE B 72 -3.114 -2.545 -5.165 1.00 35.42 C ATOM 2636 O ILE B 72 -2.020 -3.098 -5.097 1.00 61.51 O ATOM 2637 CB ILE B 72 -3.979 -1.639 -7.336 1.00 34.22 C ATOM 2638 CG1 ILE B 72 -4.915 -1.893 -8.527 1.00 32.05 C ATOM 2639 CG2 ILE B 72 -2.539 -1.427 -7.817 1.00 52.24 C ATOM 2640 CD1 ILE B 72 -4.928 -0.774 -9.552 1.00 72.43 C ATOM 0 H ILE B 72 -6.038 -2.213 -6.035 1.00 50.53 H new ATOM 0 HA ILE B 72 -3.770 -3.734 -6.828 1.00 70.00 H new ATOM 0 HB ILE B 72 -4.303 -0.730 -6.830 1.00 34.22 H new ATOM 0 HG12 ILE B 72 -4.617 -2.819 -9.019 1.00 32.05 H new ATOM 0 HG13 ILE B 72 -5.928 -2.042 -8.154 1.00 32.05 H new ATOM 0 HG21 ILE B 72 -2.510 -0.600 -8.527 1.00 52.24 H new ATOM 0 HG22 ILE B 72 -1.901 -1.195 -6.964 1.00 52.24 H new ATOM 0 HG23 ILE B 72 -2.180 -2.335 -8.302 1.00 52.24 H new ATOM 0 HD11 ILE B 72 -5.613 -1.029 -10.361 1.00 72.43 H new ATOM 0 HD12 ILE B 72 -5.256 0.151 -9.077 1.00 72.43 H new ATOM 0 HD13 ILE B 72 -3.925 -0.638 -9.955 1.00 72.43 H new ATOM 2652 N MET B 73 -3.565 -1.724 -4.245 1.00 62.21 N ATOM 2653 CA MET B 73 -2.762 -1.321 -3.110 1.00 31.12 C ATOM 2654 C MET B 73 -2.515 -2.538 -2.204 1.00 44.43 C ATOM 2655 O MET B 73 -1.396 -2.753 -1.721 1.00 63.35 O ATOM 2656 CB MET B 73 -3.471 -0.179 -2.366 1.00 52.43 C ATOM 2657 CG MET B 73 -2.620 0.584 -1.348 1.00 42.23 C ATOM 2658 SD MET B 73 -2.024 -0.401 0.022 1.00 71.40 S ATOM 2659 CE MET B 73 -1.114 0.819 0.924 1.00 24.44 C ATOM 0 H MET B 73 -4.499 -1.315 -4.261 1.00 62.21 H new ATOM 0 HA MET B 73 -1.791 -0.950 -3.439 1.00 31.12 H new ATOM 0 HB2 MET B 73 -3.846 0.531 -3.103 1.00 52.43 H new ATOM 0 HB3 MET B 73 -4.338 -0.591 -1.850 1.00 52.43 H new ATOM 0 HG2 MET B 73 -1.764 1.018 -1.864 1.00 42.23 H new ATOM 0 HG3 MET B 73 -3.208 1.413 -0.953 1.00 42.23 H new ATOM 0 HE1 MET B 73 -0.996 0.494 1.958 1.00 24.44 H new ATOM 0 HE2 MET B 73 -0.132 0.949 0.470 1.00 24.44 H new ATOM 0 HE3 MET B 73 -1.653 1.766 0.900 1.00 24.44 H new ATOM 2669 N GLU B 74 -3.557 -3.343 -2.001 1.00 44.25 N ATOM 2670 CA GLU B 74 -3.446 -4.573 -1.233 1.00 0.01 C ATOM 2671 C GLU B 74 -2.403 -5.490 -1.844 1.00 61.33 C ATOM 2672 O GLU B 74 -1.591 -6.075 -1.132 1.00 72.12 O ATOM 2673 CB GLU B 74 -4.792 -5.288 -1.124 1.00 31.32 C ATOM 2674 CG GLU B 74 -5.823 -4.537 -0.298 1.00 62.53 C ATOM 2675 CD GLU B 74 -7.139 -5.264 -0.204 1.00 1.33 C ATOM 2676 OE1 GLU B 74 -7.212 -6.273 0.519 1.00 60.24 O ATOM 2677 OE2 GLU B 74 -8.122 -4.814 -0.828 1.00 73.53 O ATOM 0 H GLU B 74 -4.493 -3.159 -2.363 1.00 44.25 H new ATOM 0 HA GLU B 74 -3.129 -4.307 -0.224 1.00 0.01 H new ATOM 0 HB2 GLU B 74 -5.190 -5.447 -2.126 1.00 31.32 H new ATOM 0 HB3 GLU B 74 -4.635 -6.272 -0.683 1.00 31.32 H new ATOM 0 HG2 GLU B 74 -5.430 -4.376 0.706 1.00 62.53 H new ATOM 0 HG3 GLU B 74 -5.987 -3.553 -0.738 1.00 62.53 H new ATOM 2684 N GLU B 75 -2.418 -5.592 -3.167 1.00 30.04 N ATOM 2685 CA GLU B 75 -1.428 -6.375 -3.899 1.00 44.44 C ATOM 2686 C GLU B 75 -0.021 -5.841 -3.606 1.00 52.40 C ATOM 2687 O GLU B 75 0.883 -6.602 -3.265 1.00 33.24 O ATOM 2688 CB GLU B 75 -1.728 -6.308 -5.404 1.00 53.23 C ATOM 2689 CG GLU B 75 -0.724 -7.027 -6.304 1.00 23.30 C ATOM 2690 CD GLU B 75 -0.592 -8.504 -6.008 1.00 24.51 C ATOM 2691 OE1 GLU B 75 -1.439 -9.282 -6.462 1.00 34.44 O ATOM 2692 OE2 GLU B 75 0.361 -8.910 -5.339 1.00 11.32 O ATOM 0 H GLU B 75 -3.112 -5.138 -3.761 1.00 30.04 H new ATOM 0 HA GLU B 75 -1.477 -7.415 -3.577 1.00 44.44 H new ATOM 0 HB2 GLU B 75 -2.717 -6.732 -5.580 1.00 53.23 H new ATOM 0 HB3 GLU B 75 -1.773 -5.261 -5.702 1.00 53.23 H new ATOM 0 HG2 GLU B 75 -1.025 -6.899 -7.344 1.00 23.30 H new ATOM 0 HG3 GLU B 75 0.252 -6.555 -6.194 1.00 23.30 H new ATOM 2699 N LEU B 76 0.130 -4.523 -3.702 1.00 50.44 N ATOM 2700 CA LEU B 76 1.412 -3.868 -3.462 1.00 50.31 C ATOM 2701 C LEU B 76 1.925 -4.147 -2.050 1.00 24.41 C ATOM 2702 O LEU B 76 3.082 -4.551 -1.879 1.00 13.30 O ATOM 2703 CB LEU B 76 1.301 -2.352 -3.684 1.00 30.34 C ATOM 2704 CG LEU B 76 0.844 -1.893 -5.075 1.00 21.42 C ATOM 2705 CD1 LEU B 76 0.774 -0.387 -5.136 1.00 20.44 C ATOM 2706 CD2 LEU B 76 1.762 -2.418 -6.157 1.00 13.10 C ATOM 0 H LEU B 76 -0.626 -3.883 -3.946 1.00 50.44 H new ATOM 0 HA LEU B 76 2.125 -4.280 -4.176 1.00 50.31 H new ATOM 0 HB2 LEU B 76 0.606 -1.950 -2.947 1.00 30.34 H new ATOM 0 HB3 LEU B 76 2.274 -1.906 -3.481 1.00 30.34 H new ATOM 0 HG LEU B 76 -0.151 -2.301 -5.250 1.00 21.42 H new ATOM 0 HD11 LEU B 76 0.448 -0.078 -6.129 1.00 20.44 H new ATOM 0 HD12 LEU B 76 0.064 -0.025 -4.392 1.00 20.44 H new ATOM 0 HD13 LEU B 76 1.759 0.032 -4.931 1.00 20.44 H new ATOM 0 HD21 LEU B 76 1.411 -2.075 -7.130 1.00 13.10 H new ATOM 0 HD22 LEU B 76 2.774 -2.050 -5.986 1.00 13.10 H new ATOM 0 HD23 LEU B 76 1.764 -3.508 -6.135 1.00 13.10 H new ATOM 2718 N THR B 77 1.063 -3.956 -1.044 1.00 34.10 N ATOM 2719 CA THR B 77 1.453 -4.183 0.335 1.00 2.40 C ATOM 2720 C THR B 77 1.838 -5.658 0.574 1.00 1.52 C ATOM 2721 O THR B 77 2.845 -5.956 1.239 1.00 72.15 O ATOM 2722 CB THR B 77 0.318 -3.765 1.293 1.00 14.21 C ATOM 2723 OG1 THR B 77 -0.033 -2.406 1.030 1.00 21.31 O ATOM 2724 CG2 THR B 77 0.761 -3.880 2.745 1.00 74.20 C ATOM 0 H THR B 77 0.099 -3.647 -1.167 1.00 34.10 H new ATOM 0 HA THR B 77 2.330 -3.569 0.538 1.00 2.40 H new ATOM 0 HB THR B 77 -0.534 -4.425 1.131 1.00 14.21 H new ATOM 0 HG1 THR B 77 -0.927 -2.370 0.631 1.00 21.31 H new ATOM 0 HG21 THR B 77 -0.057 -3.580 3.400 1.00 74.20 H new ATOM 0 HG22 THR B 77 1.038 -4.912 2.960 1.00 74.20 H new ATOM 0 HG23 THR B 77 1.620 -3.231 2.916 1.00 74.20 H new ATOM 2732 N LYS B 78 1.057 -6.570 0.003 1.00 71.14 N ATOM 2733 CA LYS B 78 1.304 -7.992 0.173 1.00 63.21 C ATOM 2734 C LYS B 78 2.567 -8.437 -0.491 1.00 44.24 C ATOM 2735 O LYS B 78 3.390 -9.091 0.124 1.00 43.41 O ATOM 2736 CB LYS B 78 0.136 -8.844 -0.314 1.00 12.51 C ATOM 2737 CG LYS B 78 -1.095 -8.678 0.520 1.00 64.21 C ATOM 2738 CD LYS B 78 -2.245 -9.572 0.079 1.00 45.53 C ATOM 2739 CE LYS B 78 -2.711 -9.273 -1.328 1.00 51.22 C ATOM 2740 NZ LYS B 78 -3.843 -10.135 -1.704 1.00 61.43 N ATOM 0 H LYS B 78 0.250 -6.347 -0.580 1.00 71.14 H new ATOM 0 HA LYS B 78 1.415 -8.141 1.247 1.00 63.21 H new ATOM 0 HB2 LYS B 78 -0.093 -8.581 -1.347 1.00 12.51 H new ATOM 0 HB3 LYS B 78 0.432 -9.893 -0.311 1.00 12.51 H new ATOM 0 HG2 LYS B 78 -0.853 -8.896 1.560 1.00 64.21 H new ATOM 0 HG3 LYS B 78 -1.416 -7.637 0.478 1.00 64.21 H new ATOM 0 HD2 LYS B 78 -1.933 -10.615 0.140 1.00 45.53 H new ATOM 0 HD3 LYS B 78 -3.081 -9.448 0.768 1.00 45.53 H new ATOM 0 HE2 LYS B 78 -3.006 -8.226 -1.402 1.00 51.22 H new ATOM 0 HE3 LYS B 78 -1.888 -9.422 -2.027 1.00 51.22 H new ATOM 0 HZ1 LYS B 78 -4.144 -9.910 -2.674 1.00 61.43 H new ATOM 0 HZ2 LYS B 78 -3.551 -11.132 -1.655 1.00 61.43 H new ATOM 0 HZ3 LYS B 78 -4.635 -9.973 -1.050 1.00 61.43 H new ATOM 2754 N TYR B 79 2.732 -8.063 -1.730 1.00 10.14 N ATOM 2755 CA TYR B 79 3.861 -8.505 -2.521 1.00 53.12 C ATOM 2756 C TYR B 79 5.179 -7.956 -1.950 1.00 20.32 C ATOM 2757 O TYR B 79 6.229 -8.606 -2.033 1.00 10.04 O ATOM 2758 CB TYR B 79 3.666 -8.101 -3.970 1.00 4.31 C ATOM 2759 CG TYR B 79 4.553 -8.832 -4.944 1.00 51.21 C ATOM 2760 CD1 TYR B 79 4.298 -10.158 -5.243 1.00 14.32 C ATOM 2761 CD2 TYR B 79 5.620 -8.213 -5.568 1.00 70.40 C ATOM 2762 CE1 TYR B 79 5.075 -10.855 -6.136 1.00 35.55 C ATOM 2763 CE2 TYR B 79 6.406 -8.902 -6.471 1.00 2.35 C ATOM 2764 CZ TYR B 79 6.126 -10.226 -6.749 1.00 64.52 C ATOM 2765 OH TYR B 79 6.908 -10.925 -7.651 1.00 32.33 O ATOM 0 H TYR B 79 2.091 -7.443 -2.225 1.00 10.14 H new ATOM 0 HA TYR B 79 3.921 -9.592 -2.477 1.00 53.12 H new ATOM 0 HB2 TYR B 79 2.625 -8.272 -4.246 1.00 4.31 H new ATOM 0 HB3 TYR B 79 3.848 -7.030 -4.064 1.00 4.31 H new ATOM 0 HD1 TYR B 79 3.469 -10.657 -4.763 1.00 14.32 H new ATOM 0 HD2 TYR B 79 5.841 -7.179 -5.347 1.00 70.40 H new ATOM 0 HE1 TYR B 79 4.859 -11.891 -6.353 1.00 35.55 H new ATOM 0 HE2 TYR B 79 7.235 -8.409 -6.957 1.00 2.35 H new ATOM 0 HH TYR B 79 7.850 -10.688 -7.519 1.00 32.33 H new ATOM 2775 N TYR B 80 5.114 -6.767 -1.367 1.00 15.41 N ATOM 2776 CA TYR B 80 6.267 -6.161 -0.714 1.00 53.12 C ATOM 2777 C TYR B 80 6.731 -7.059 0.438 1.00 13.13 C ATOM 2778 O TYR B 80 7.902 -7.441 0.519 1.00 41.11 O ATOM 2779 CB TYR B 80 5.887 -4.768 -0.189 1.00 43.14 C ATOM 2780 CG TYR B 80 7.007 -3.995 0.494 1.00 52.44 C ATOM 2781 CD1 TYR B 80 7.896 -3.231 -0.243 1.00 53.53 C ATOM 2782 CD2 TYR B 80 7.154 -4.013 1.879 1.00 12.52 C ATOM 2783 CE1 TYR B 80 8.901 -2.507 0.370 1.00 72.53 C ATOM 2784 CE2 TYR B 80 8.156 -3.296 2.501 1.00 11.10 C ATOM 2785 CZ TYR B 80 9.027 -2.544 1.741 1.00 24.55 C ATOM 2786 OH TYR B 80 10.027 -1.816 2.357 1.00 55.23 O ATOM 0 H TYR B 80 4.268 -6.199 -1.333 1.00 15.41 H new ATOM 0 HA TYR B 80 7.083 -6.056 -1.429 1.00 53.12 H new ATOM 0 HB2 TYR B 80 5.516 -4.173 -1.024 1.00 43.14 H new ATOM 0 HB3 TYR B 80 5.063 -4.877 0.516 1.00 43.14 H new ATOM 0 HD1 TYR B 80 7.802 -3.200 -1.318 1.00 53.53 H new ATOM 0 HD2 TYR B 80 6.472 -4.599 2.477 1.00 12.52 H new ATOM 0 HE1 TYR B 80 9.583 -1.916 -0.222 1.00 72.53 H new ATOM 0 HE2 TYR B 80 8.257 -3.324 3.576 1.00 11.10 H new ATOM 0 HH TYR B 80 9.825 -0.859 2.288 1.00 55.23 H new ATOM 2796 N LEU B 81 5.790 -7.422 1.300 1.00 42.11 N ATOM 2797 CA LEU B 81 6.076 -8.275 2.449 1.00 71.12 C ATOM 2798 C LEU B 81 6.340 -9.720 2.028 1.00 30.33 C ATOM 2799 O LEU B 81 7.035 -10.468 2.734 1.00 34.02 O ATOM 2800 CB LEU B 81 4.938 -8.208 3.473 1.00 55.20 C ATOM 2801 CG LEU B 81 4.681 -6.835 4.109 1.00 30.14 C ATOM 2802 CD1 LEU B 81 3.498 -6.898 5.060 1.00 42.02 C ATOM 2803 CD2 LEU B 81 5.921 -6.344 4.844 1.00 10.04 C ATOM 0 H LEU B 81 4.814 -7.137 1.225 1.00 42.11 H new ATOM 0 HA LEU B 81 6.985 -7.898 2.917 1.00 71.12 H new ATOM 0 HB2 LEU B 81 4.020 -8.538 2.987 1.00 55.20 H new ATOM 0 HB3 LEU B 81 5.151 -8.921 4.270 1.00 55.20 H new ATOM 0 HG LEU B 81 4.448 -6.130 3.311 1.00 30.14 H new ATOM 0 HD11 LEU B 81 3.332 -5.915 5.500 1.00 42.02 H new ATOM 0 HD12 LEU B 81 2.607 -7.205 4.512 1.00 42.02 H new ATOM 0 HD13 LEU B 81 3.705 -7.619 5.851 1.00 42.02 H new ATOM 0 HD21 LEU B 81 5.719 -5.369 5.288 1.00 10.04 H new ATOM 0 HD22 LEU B 81 6.183 -7.053 5.629 1.00 10.04 H new ATOM 0 HD23 LEU B 81 6.750 -6.258 4.142 1.00 10.04 H new ATOM 2815 N ALA B 82 5.802 -10.106 0.876 1.00 55.15 N ATOM 2816 CA ALA B 82 5.965 -11.450 0.346 1.00 54.43 C ATOM 2817 C ALA B 82 7.422 -11.778 0.119 1.00 21.15 C ATOM 2818 O ALA B 82 7.874 -12.884 0.402 1.00 53.11 O ATOM 2819 CB ALA B 82 5.177 -11.621 -0.940 1.00 2.31 C ATOM 0 H ALA B 82 5.240 -9.493 0.285 1.00 55.15 H new ATOM 0 HA ALA B 82 5.575 -12.147 1.088 1.00 54.43 H new ATOM 0 HB1 ALA B 82 5.314 -12.634 -1.319 1.00 2.31 H new ATOM 0 HB2 ALA B 82 4.119 -11.446 -0.744 1.00 2.31 H new ATOM 0 HB3 ALA B 82 5.532 -10.905 -1.682 1.00 2.31 H new ATOM 2825 N ASN B 83 8.168 -10.791 -0.324 1.00 4.32 N ATOM 2826 CA ASN B 83 9.584 -10.968 -0.630 1.00 74.11 C ATOM 2827 C ASN B 83 10.456 -10.979 0.609 1.00 75.43 C ATOM 2828 O ASN B 83 11.689 -11.055 0.525 1.00 71.31 O ATOM 2829 CB ASN B 83 10.066 -9.955 -1.659 1.00 4.44 C ATOM 2830 CG ASN B 83 9.520 -10.261 -3.034 1.00 74.22 C ATOM 2831 OD1 ASN B 83 10.138 -10.988 -3.795 1.00 72.30 O ATOM 2832 ND2 ASN B 83 8.364 -9.735 -3.366 1.00 62.35 N ATOM 0 H ASN B 83 7.820 -9.846 -0.484 1.00 4.32 H new ATOM 0 HA ASN B 83 9.683 -11.958 -1.076 1.00 74.11 H new ATOM 0 HB2 ASN B 83 9.757 -8.954 -1.358 1.00 4.44 H new ATOM 0 HB3 ASN B 83 11.156 -9.957 -1.690 1.00 4.44 H new ATOM 0 HD21 ASN B 83 7.959 -9.930 -4.282 1.00 62.35 H new ATOM 0 HD22 ASN B 83 7.871 -9.131 -2.708 1.00 62.35 H new ATOM 2839 N HIS B 84 9.821 -10.915 1.757 1.00 24.15 N ATOM 2840 CA HIS B 84 10.508 -11.043 3.019 1.00 63.21 C ATOM 2841 C HIS B 84 10.357 -12.492 3.522 1.00 23.23 C ATOM 2842 O HIS B 84 10.879 -12.867 4.571 1.00 61.23 O ATOM 2843 CB HIS B 84 9.977 -10.006 4.040 1.00 45.41 C ATOM 2844 CG HIS B 84 10.639 -10.061 5.392 1.00 62.55 C ATOM 2845 ND1 HIS B 84 11.985 -9.884 5.578 1.00 42.23 N ATOM 2846 CD2 HIS B 84 10.126 -10.305 6.619 1.00 34.45 C ATOM 2847 CE1 HIS B 84 12.275 -10.017 6.847 1.00 61.41 C ATOM 2848 NE2 HIS B 84 11.165 -10.271 7.506 1.00 74.34 N ATOM 0 H HIS B 84 8.814 -10.773 1.841 1.00 24.15 H new ATOM 0 HA HIS B 84 11.570 -10.832 2.891 1.00 63.21 H new ATOM 0 HB2 HIS B 84 10.110 -9.007 3.625 1.00 45.41 H new ATOM 0 HB3 HIS B 84 8.905 -10.158 4.168 1.00 45.41 H new ATOM 0 HD2 HIS B 84 9.089 -10.492 6.854 1.00 34.45 H new ATOM 0 HE1 HIS B 84 13.260 -9.932 7.281 1.00 61.41 H new ATOM 0 HE2 HIS B 84 11.092 -10.418 8.513 1.00 74.34 H new ATOM 2857 N GLY B 85 9.654 -13.302 2.744 1.00 13.32 N ATOM 2858 CA GLY B 85 9.473 -14.691 3.096 1.00 13.01 C ATOM 2859 C GLY B 85 8.104 -14.975 3.660 1.00 33.25 C ATOM 2860 O GLY B 85 7.843 -16.067 4.151 1.00 14.33 O ATOM 0 H GLY B 85 9.205 -13.019 1.873 1.00 13.32 H new ATOM 0 HA2 GLY B 85 9.633 -15.309 2.213 1.00 13.01 H new ATOM 0 HA3 GLY B 85 10.229 -14.978 3.827 1.00 13.01 H new ATOM 2864 N ILE B 86 7.236 -13.998 3.610 1.00 42.54 N ATOM 2865 CA ILE B 86 5.882 -14.164 4.100 1.00 4.22 C ATOM 2866 C ILE B 86 4.962 -14.391 2.920 1.00 13.15 C ATOM 2867 O ILE B 86 5.085 -13.712 1.918 1.00 41.22 O ATOM 2868 CB ILE B 86 5.397 -12.898 4.862 1.00 1.52 C ATOM 2869 CG1 ILE B 86 6.334 -12.573 6.026 1.00 10.20 C ATOM 2870 CG2 ILE B 86 3.965 -13.084 5.365 1.00 54.25 C ATOM 2871 CD1 ILE B 86 5.923 -11.351 6.809 1.00 64.00 C ATOM 0 H ILE B 86 7.439 -13.072 3.234 1.00 42.54 H new ATOM 0 HA ILE B 86 5.866 -15.012 4.784 1.00 4.22 H new ATOM 0 HB ILE B 86 5.411 -12.059 4.166 1.00 1.52 H new ATOM 0 HG12 ILE B 86 6.374 -13.429 6.699 1.00 10.20 H new ATOM 0 HG13 ILE B 86 7.342 -12.424 5.639 1.00 10.20 H new ATOM 0 HG21 ILE B 86 3.646 -12.187 5.895 1.00 54.25 H new ATOM 0 HG22 ILE B 86 3.302 -13.260 4.518 1.00 54.25 H new ATOM 0 HG23 ILE B 86 3.925 -13.938 6.041 1.00 54.25 H new ATOM 0 HD11 ILE B 86 6.633 -11.182 7.618 1.00 64.00 H new ATOM 0 HD12 ILE B 86 5.911 -10.483 6.149 1.00 64.00 H new ATOM 0 HD13 ILE B 86 4.928 -11.504 7.226 1.00 64.00 H new ATOM 2883 N ASP B 87 4.087 -15.347 2.997 1.00 11.44 N ATOM 2884 CA ASP B 87 3.112 -15.486 1.935 1.00 3.22 C ATOM 2885 C ASP B 87 1.787 -14.952 2.426 1.00 75.04 C ATOM 2886 O ASP B 87 1.249 -15.412 3.443 1.00 54.51 O ATOM 2887 CB ASP B 87 2.987 -16.924 1.352 1.00 35.22 C ATOM 2888 CG ASP B 87 2.256 -17.915 2.225 1.00 3.21 C ATOM 2889 OD1 ASP B 87 1.055 -18.160 1.970 1.00 25.13 O ATOM 2890 OD2 ASP B 87 2.858 -18.475 3.153 1.00 24.23 O ATOM 0 H ASP B 87 4.019 -16.027 3.754 1.00 11.44 H new ATOM 0 HA ASP B 87 3.464 -14.898 1.087 1.00 3.22 H new ATOM 0 HB2 ASP B 87 2.475 -16.865 0.391 1.00 35.22 H new ATOM 0 HB3 ASP B 87 3.989 -17.307 1.157 1.00 35.22 H new ATOM 2895 N ILE B 88 1.282 -13.958 1.761 1.00 51.03 N ATOM 2896 CA ILE B 88 0.039 -13.353 2.168 1.00 44.34 C ATOM 2897 C ILE B 88 -0.992 -13.663 1.094 1.00 22.10 C ATOM 2898 O ILE B 88 -0.637 -13.791 -0.087 1.00 35.32 O ATOM 2899 CB ILE B 88 0.190 -11.816 2.373 1.00 72.14 C ATOM 2900 CG1 ILE B 88 1.416 -11.522 3.241 1.00 53.52 C ATOM 2901 CG2 ILE B 88 -1.052 -11.256 3.058 1.00 14.05 C ATOM 2902 CD1 ILE B 88 1.690 -10.050 3.432 1.00 60.12 C ATOM 0 H ILE B 88 1.708 -13.544 0.932 1.00 51.03 H new ATOM 0 HA ILE B 88 -0.277 -13.760 3.129 1.00 44.34 H new ATOM 0 HB ILE B 88 0.312 -11.345 1.398 1.00 72.14 H new ATOM 0 HG12 ILE B 88 1.277 -11.986 4.218 1.00 53.52 H new ATOM 0 HG13 ILE B 88 2.291 -11.989 2.788 1.00 53.52 H new ATOM 0 HG21 ILE B 88 -0.937 -10.181 3.197 1.00 14.05 H new ATOM 0 HG22 ILE B 88 -1.928 -11.450 2.439 1.00 14.05 H new ATOM 0 HG23 ILE B 88 -1.180 -11.736 4.028 1.00 14.05 H new ATOM 0 HD11 ILE B 88 2.573 -9.923 4.058 1.00 60.12 H new ATOM 0 HD12 ILE B 88 1.862 -9.583 2.462 1.00 60.12 H new ATOM 0 HD13 ILE B 88 0.833 -9.580 3.914 1.00 60.12 H new