USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HD1:sc= -2.84! C(o=-3.3!,f=-5.5!) USER MOD Set 1.2: A 71 THR OG1 : rot -115:sc= -0.483 USER MOD Set 2.1: A 50 ASN : amide:sc= -3.56! C(o=-5.3!,f=-13!) USER MOD Set 2.2: A 53 ASN : amide:sc= -1.69 K(o=-5.3,f=-12!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0.675 (180deg=-0.149) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0127 F(o=-0.75,f=-0.013) USER MOD Single : A 30 THR OG1 : rot -74:sc= 0.0216 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -115:sc= -0.0029 (180deg=-0.646) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-7.5!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0323) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.16! C(o=-5.2!,f=-7.9!) USER MOD Single : A 65 ASN : amide:sc= -9.94! C(o=-9.9!,f=-11!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 79 TYR OH : rot 180:sc= -1.58 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.63! K(o=-1.6!,f=-2.1) USER MOD Single : A 97 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.1) USER MOD Single : A 99 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 111:sc= 0.896 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 -0.119 -6.522 -4.887 1.00 0.00 N ATOM 220 CA SER A 18 -1.204 -5.649 -4.453 1.00 0.00 C ATOM 221 C SER A 18 -0.661 -4.459 -3.668 1.00 0.00 C ATOM 222 O SER A 18 -0.675 -3.325 -4.149 1.00 0.00 O ATOM 223 CB SER A 18 -2.201 -6.429 -3.594 1.00 0.00 C ATOM 224 OG SER A 18 -3.510 -5.902 -3.726 1.00 0.00 O ATOM 0 HA SER A 18 -1.715 -5.275 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.197 -7.478 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.894 -6.390 -2.549 1.00 0.00 H new ATOM 0 HG SER A 18 -4.128 -6.419 -3.169 1.00 0.00 H new ATOM 230 N LEU A 19 -0.184 -4.724 -2.457 1.00 0.00 N ATOM 231 CA LEU A 19 0.364 -3.676 -1.603 1.00 0.00 C ATOM 232 C LEU A 19 1.883 -3.615 -1.722 1.00 0.00 C ATOM 233 O LEU A 19 2.483 -2.546 -1.604 1.00 0.00 O ATOM 234 CB LEU A 19 -0.036 -3.916 -0.147 1.00 0.00 C ATOM 235 CG LEU A 19 -1.527 -4.135 0.113 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.749 -4.695 1.509 1.00 0.00 C ATOM 237 CD2 LEU A 19 -2.297 -2.835 -0.071 1.00 0.00 C ATOM 0 H LEU A 19 -0.166 -5.656 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.046 -2.721 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.508 -4.787 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.294 -3.062 0.445 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.900 -4.860 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.816 -4.844 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.230 -5.649 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.361 -3.994 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.356 -3.010 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.922 -2.088 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.165 -2.475 -1.091 1.00 0.00 H new ATOM 249 N TYR A 20 2.499 -4.768 -1.958 1.00 0.00 N ATOM 250 CA TYR A 20 3.949 -4.846 -2.093 1.00 0.00 C ATOM 251 C TYR A 20 4.446 -3.905 -3.186 1.00 0.00 C ATOM 252 O TYR A 20 5.475 -3.245 -3.032 1.00 0.00 O ATOM 253 CB TYR A 20 4.376 -6.281 -2.408 1.00 0.00 C ATOM 254 CG TYR A 20 3.734 -7.315 -1.510 1.00 0.00 C ATOM 255 CD1 TYR A 20 3.989 -7.333 -0.145 1.00 0.00 C ATOM 256 CD2 TYR A 20 2.871 -8.273 -2.028 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.405 -8.276 0.679 1.00 0.00 C ATOM 258 CE2 TYR A 20 2.281 -9.219 -1.212 1.00 0.00 C ATOM 259 CZ TYR A 20 2.551 -9.216 0.140 1.00 0.00 C ATOM 260 OH TYR A 20 1.966 -10.157 0.958 1.00 0.00 O ATOM 0 H TYR A 20 2.017 -5.661 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 20 4.393 -4.541 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.125 -6.506 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.460 -6.357 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.655 -6.597 0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.658 -8.278 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.616 -8.277 1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.612 -9.956 -1.631 1.00 0.00 H new ATOM 0 HH TYR A 20 1.392 -10.744 0.423 1.00 0.00 H new ATOM 270 N HIS A 21 3.708 -3.847 -4.289 1.00 0.00 N ATOM 271 CA HIS A 21 4.071 -2.986 -5.408 1.00 0.00 C ATOM 272 C HIS A 21 4.036 -1.517 -4.997 1.00 0.00 C ATOM 273 O HIS A 21 5.025 -0.798 -5.138 1.00 0.00 O ATOM 274 CB HIS A 21 3.127 -3.220 -6.588 1.00 0.00 C ATOM 275 CG HIS A 21 3.766 -2.985 -7.922 1.00 0.00 C ATOM 276 ND1 HIS A 21 3.325 -2.026 -8.809 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.820 -3.591 -8.518 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.079 -2.053 -9.894 1.00 0.00 C ATOM 279 NE2 HIS A 21 4.994 -2.994 -9.742 1.00 0.00 N ATOM 0 H HIS A 21 2.854 -4.386 -4.432 1.00 0.00 H new ATOM 0 HA HIS A 21 5.088 -3.236 -5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.755 -4.244 -6.548 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.263 -2.563 -6.487 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.413 -4.394 -8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.966 -1.415 -10.758 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.713 -3.237 -10.423 1.00 0.00 H new ATOM 287 N VAL A 22 2.889 -1.077 -4.489 1.00 0.00 N ATOM 288 CA VAL A 22 2.724 0.306 -4.057 1.00 0.00 C ATOM 289 C VAL A 22 3.994 0.830 -3.396 1.00 0.00 C ATOM 290 O VAL A 22 4.368 1.990 -3.576 1.00 0.00 O ATOM 291 CB VAL A 22 1.549 0.450 -3.072 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.448 1.881 -2.566 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.247 0.015 -3.729 1.00 0.00 C ATOM 0 H VAL A 22 2.060 -1.659 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 22 2.513 0.894 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 22 1.733 -0.200 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.612 1.963 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.372 2.153 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.287 2.554 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.573 0.123 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.055 0.637 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.325 -1.028 -4.037 1.00 0.00 H new ATOM 303 N LEU A 23 4.655 -0.031 -2.631 1.00 0.00 N ATOM 304 CA LEU A 23 5.885 0.344 -1.942 1.00 0.00 C ATOM 305 C LEU A 23 7.100 0.116 -2.835 1.00 0.00 C ATOM 306 O LEU A 23 8.005 0.948 -2.893 1.00 0.00 O ATOM 307 CB LEU A 23 6.032 -0.457 -0.647 1.00 0.00 C ATOM 308 CG LEU A 23 4.815 -0.466 0.279 1.00 0.00 C ATOM 309 CD1 LEU A 23 4.950 -1.561 1.326 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.640 0.891 0.943 1.00 0.00 C ATOM 0 H LEU A 23 4.360 -0.994 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 23 5.828 1.405 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.274 -1.488 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.882 -0.060 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 23 3.928 -0.672 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.075 -1.553 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.026 -2.530 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.846 -1.387 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.769 0.866 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.528 1.127 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.497 1.654 0.178 1.00 0.00 H new ATOM 322 N GLY A 24 7.112 -1.016 -3.533 1.00 0.00 N ATOM 323 CA GLY A 24 8.220 -1.331 -4.416 1.00 0.00 C ATOM 324 C GLY A 24 8.930 -2.610 -4.020 1.00 0.00 C ATOM 325 O GLY A 24 10.156 -2.699 -4.101 1.00 0.00 O ATOM 0 H GLY A 24 6.375 -1.720 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.851 -1.425 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.932 -0.506 -4.409 1.00 0.00 H new ATOM 329 N LEU A 25 8.161 -3.603 -3.589 1.00 0.00 N ATOM 330 CA LEU A 25 8.725 -4.884 -3.176 1.00 0.00 C ATOM 331 C LEU A 25 7.858 -6.042 -3.661 1.00 0.00 C ATOM 332 O LEU A 25 6.850 -5.835 -4.337 1.00 0.00 O ATOM 333 CB LEU A 25 8.862 -4.937 -1.654 1.00 0.00 C ATOM 334 CG LEU A 25 9.529 -3.728 -0.997 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.131 -3.628 0.467 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.042 -3.813 -1.136 1.00 0.00 C ATOM 0 H LEU A 25 7.145 -3.546 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 25 9.713 -4.980 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.868 -5.056 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.432 -5.828 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 25 9.187 -2.827 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.616 -2.762 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.049 -3.519 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.443 -4.531 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.500 -2.945 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.401 -4.721 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.310 -3.834 -2.192 1.00 0.00 H new ATOM 348 N ASP A 26 8.255 -7.259 -3.309 1.00 0.00 N ATOM 349 CA ASP A 26 7.513 -8.450 -3.705 1.00 0.00 C ATOM 350 C ASP A 26 7.050 -9.234 -2.481 1.00 0.00 C ATOM 351 O ASP A 26 7.227 -8.794 -1.345 1.00 0.00 O ATOM 352 CB ASP A 26 8.376 -9.341 -4.600 1.00 0.00 C ATOM 353 CG ASP A 26 7.546 -10.243 -5.493 1.00 0.00 C ATOM 354 OD1 ASP A 26 6.780 -9.712 -6.323 1.00 0.00 O ATOM 355 OD2 ASP A 26 7.662 -11.479 -5.360 1.00 0.00 O ATOM 0 H ASP A 26 9.087 -7.447 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 26 6.633 -8.130 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.020 -8.715 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.029 -9.953 -3.977 1.00 0.00 H new ATOM 360 N LYS A 27 6.454 -10.398 -2.720 1.00 0.00 N ATOM 361 CA LYS A 27 5.965 -11.244 -1.638 1.00 0.00 C ATOM 362 C LYS A 27 7.105 -11.658 -0.713 1.00 0.00 C ATOM 363 O LYS A 27 6.906 -11.850 0.485 1.00 0.00 O ATOM 364 CB LYS A 27 5.278 -12.488 -2.207 1.00 0.00 C ATOM 365 CG LYS A 27 4.150 -12.171 -3.173 1.00 0.00 C ATOM 366 CD LYS A 27 4.604 -12.288 -4.619 1.00 0.00 C ATOM 367 CE LYS A 27 3.880 -11.293 -5.513 1.00 0.00 C ATOM 368 NZ LYS A 27 4.239 -9.886 -5.181 1.00 0.00 N ATOM 0 H LYS A 27 6.298 -10.777 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 27 5.242 -10.669 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.021 -13.102 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.884 -13.084 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.317 -12.851 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.783 -11.162 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.679 -12.117 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.422 -13.301 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.127 -11.495 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.803 -11.427 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.476 -9.251 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.371 -9.795 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.121 -9.629 -5.668 1.00 0.00 H new ATOM 382 N ASN A 28 8.300 -11.793 -1.279 1.00 0.00 N ATOM 383 CA ASN A 28 9.473 -12.184 -0.504 1.00 0.00 C ATOM 384 C ASN A 28 10.122 -10.968 0.151 1.00 0.00 C ATOM 385 O ASN A 28 11.334 -10.937 0.361 1.00 0.00 O ATOM 386 CB ASN A 28 10.487 -12.897 -1.400 1.00 0.00 C ATOM 387 CG ASN A 28 10.011 -14.270 -1.834 1.00 0.00 C ATOM 388 OD1 ASN A 28 8.930 -14.304 -2.604 1.00 0.00 O flip ATOM 389 ND2 ASN A 28 10.608 -15.287 -1.480 1.00 0.00 N flip ATOM 0 H ASN A 28 8.482 -11.638 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 28 9.148 -12.867 0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.680 -12.287 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.433 -12.995 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.435 -15.213 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.276 -16.204 -1.779 1.00 0.00 H new ATOM 396 N ALA A 29 9.305 -9.969 0.471 1.00 0.00 N ATOM 397 CA ALA A 29 9.799 -8.753 1.105 1.00 0.00 C ATOM 398 C ALA A 29 9.864 -8.910 2.620 1.00 0.00 C ATOM 399 O ALA A 29 8.912 -9.374 3.248 1.00 0.00 O ATOM 400 CB ALA A 29 8.918 -7.569 0.732 1.00 0.00 C ATOM 0 H ALA A 29 8.299 -9.978 0.302 1.00 0.00 H new ATOM 0 HA ALA A 29 10.810 -8.569 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.298 -6.667 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.927 -7.435 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.897 -7.755 1.066 1.00 0.00 H new ATOM 406 N THR A 30 10.994 -8.521 3.203 1.00 0.00 N ATOM 407 CA THR A 30 11.184 -8.621 4.644 1.00 0.00 C ATOM 408 C THR A 30 10.592 -7.414 5.362 1.00 0.00 C ATOM 409 O THR A 30 10.713 -6.281 4.895 1.00 0.00 O ATOM 410 CB THR A 30 12.676 -8.739 5.008 1.00 0.00 C ATOM 411 OG1 THR A 30 13.418 -7.688 4.377 1.00 0.00 O ATOM 412 CG2 THR A 30 13.233 -10.088 4.578 1.00 0.00 C ATOM 0 H THR A 30 11.791 -8.134 2.698 1.00 0.00 H new ATOM 0 HA THR A 30 10.666 -9.524 4.968 1.00 0.00 H new ATOM 0 HB THR A 30 12.772 -8.653 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.511 -7.882 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.288 -10.148 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.685 -10.885 5.081 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.125 -10.199 3.499 1.00 0.00 H new ATOM 420 N SER A 31 9.952 -7.663 6.500 1.00 0.00 N ATOM 421 CA SER A 31 9.337 -6.595 7.281 1.00 0.00 C ATOM 422 C SER A 31 10.230 -5.358 7.307 1.00 0.00 C ATOM 423 O SER A 31 9.749 -4.230 7.200 1.00 0.00 O ATOM 424 CB SER A 31 9.065 -7.071 8.709 1.00 0.00 C ATOM 425 OG SER A 31 8.231 -8.217 8.714 1.00 0.00 O ATOM 0 H SER A 31 9.846 -8.594 6.902 1.00 0.00 H new ATOM 0 HA SER A 31 8.392 -6.330 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.008 -7.301 9.205 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.592 -6.271 9.279 1.00 0.00 H new ATOM 0 HG SER A 31 8.073 -8.503 9.638 1.00 0.00 H new ATOM 431 N ASP A 32 11.532 -5.579 7.448 1.00 0.00 N ATOM 432 CA ASP A 32 12.494 -4.484 7.488 1.00 0.00 C ATOM 433 C ASP A 32 12.453 -3.678 6.193 1.00 0.00 C ATOM 434 O ASP A 32 12.531 -2.450 6.212 1.00 0.00 O ATOM 435 CB ASP A 32 13.906 -5.024 7.721 1.00 0.00 C ATOM 436 CG ASP A 32 14.041 -5.733 9.055 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.892 -5.064 10.099 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.297 -6.955 9.055 1.00 0.00 O ATOM 0 H ASP A 32 11.946 -6.507 7.537 1.00 0.00 H new ATOM 0 HA ASP A 32 12.224 -3.827 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.165 -5.714 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.619 -4.201 7.676 1.00 0.00 H new ATOM 443 N ASP A 33 12.331 -4.378 5.070 1.00 0.00 N ATOM 444 CA ASP A 33 12.279 -3.728 3.766 1.00 0.00 C ATOM 445 C ASP A 33 10.995 -2.919 3.613 1.00 0.00 C ATOM 446 O ASP A 33 11.011 -1.804 3.090 1.00 0.00 O ATOM 447 CB ASP A 33 12.377 -4.768 2.649 1.00 0.00 C ATOM 448 CG ASP A 33 13.811 -5.055 2.250 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.511 -4.109 1.830 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.234 -6.224 2.357 1.00 0.00 O ATOM 0 H ASP A 33 12.266 -5.395 5.037 1.00 0.00 H new ATOM 0 HA ASP A 33 13.127 -3.047 3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.901 -5.693 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.824 -4.415 1.778 1.00 0.00 H new ATOM 455 N ILE A 34 9.885 -3.488 4.070 1.00 0.00 N ATOM 456 CA ILE A 34 8.592 -2.819 3.983 1.00 0.00 C ATOM 457 C ILE A 34 8.595 -1.514 4.772 1.00 0.00 C ATOM 458 O ILE A 34 8.103 -0.489 4.299 1.00 0.00 O ATOM 459 CB ILE A 34 7.457 -3.719 4.506 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.404 -5.025 3.709 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.124 -2.990 4.426 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.536 -6.087 4.347 1.00 0.00 C ATOM 0 H ILE A 34 9.854 -4.410 4.504 1.00 0.00 H new ATOM 0 HA ILE A 34 8.418 -2.604 2.929 1.00 0.00 H new ATOM 0 HB ILE A 34 7.656 -3.960 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.030 -4.815 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.416 -5.414 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.332 -3.639 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.167 -2.085 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.917 -2.723 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.545 -6.984 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.922 -6.326 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.514 -5.717 4.435 1.00 0.00 H new ATOM 474 N LYS A 35 9.153 -1.558 5.977 1.00 0.00 N ATOM 475 CA LYS A 35 9.223 -0.379 6.831 1.00 0.00 C ATOM 476 C LYS A 35 10.225 0.632 6.283 1.00 0.00 C ATOM 477 O LYS A 35 9.911 1.812 6.128 1.00 0.00 O ATOM 478 CB LYS A 35 9.614 -0.779 8.256 1.00 0.00 C ATOM 479 CG LYS A 35 8.601 -1.685 8.933 1.00 0.00 C ATOM 480 CD LYS A 35 8.865 -1.799 10.425 1.00 0.00 C ATOM 481 CE LYS A 35 7.772 -2.591 11.126 1.00 0.00 C ATOM 482 NZ LYS A 35 8.275 -3.266 12.354 1.00 0.00 N ATOM 0 H LYS A 35 9.564 -2.398 6.384 1.00 0.00 H new ATOM 0 HA LYS A 35 8.237 0.086 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.580 -1.283 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.741 0.122 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.596 -1.296 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.637 -2.675 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.828 -2.282 10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.930 -0.802 10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.952 -1.923 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.368 -3.337 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.500 -3.795 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.041 -3.923 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.637 -2.553 13.019 1.00 0.00 H new ATOM 496 N LYS A 36 11.432 0.161 5.988 1.00 0.00 N ATOM 497 CA LYS A 36 12.480 1.023 5.453 1.00 0.00 C ATOM 498 C LYS A 36 12.008 1.733 4.189 1.00 0.00 C ATOM 499 O LYS A 36 11.959 2.962 4.137 1.00 0.00 O ATOM 500 CB LYS A 36 13.738 0.204 5.152 1.00 0.00 C ATOM 501 CG LYS A 36 14.637 0.004 6.360 1.00 0.00 C ATOM 502 CD LYS A 36 15.830 -0.875 6.027 1.00 0.00 C ATOM 503 CE LYS A 36 16.846 -0.136 5.170 1.00 0.00 C ATOM 504 NZ LYS A 36 17.753 0.712 5.991 1.00 0.00 N ATOM 0 H LYS A 36 11.709 -0.813 6.110 1.00 0.00 H new ATOM 0 HA LYS A 36 12.715 1.776 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.443 -0.771 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.306 0.701 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.986 0.972 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.065 -0.449 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.305 -1.209 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.490 -1.768 5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.436 -0.857 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.324 0.488 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.430 1.199 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.193 1.417 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.271 0.114 6.666 1.00 0.00 H new ATOM 518 N SER A 37 11.660 0.951 3.171 1.00 0.00 N ATOM 519 CA SER A 37 11.194 1.506 1.906 1.00 0.00 C ATOM 520 C SER A 37 10.157 2.599 2.141 1.00 0.00 C ATOM 521 O SER A 37 10.216 3.668 1.533 1.00 0.00 O ATOM 522 CB SER A 37 10.599 0.402 1.029 1.00 0.00 C ATOM 523 OG SER A 37 10.735 0.714 -0.346 1.00 0.00 O ATOM 0 H SER A 37 11.692 -0.068 3.198 1.00 0.00 H new ATOM 0 HA SER A 37 12.050 1.946 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.097 -0.544 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.545 0.268 1.272 1.00 0.00 H new ATOM 0 HG SER A 37 10.349 -0.008 -0.885 1.00 0.00 H new ATOM 529 N TYR A 38 9.207 2.323 3.028 1.00 0.00 N ATOM 530 CA TYR A 38 8.154 3.281 3.343 1.00 0.00 C ATOM 531 C TYR A 38 8.744 4.646 3.687 1.00 0.00 C ATOM 532 O TYR A 38 8.168 5.684 3.360 1.00 0.00 O ATOM 533 CB TYR A 38 7.304 2.772 4.508 1.00 0.00 C ATOM 534 CG TYR A 38 6.677 3.877 5.328 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.719 4.720 4.777 1.00 0.00 C ATOM 536 CD2 TYR A 38 7.041 4.078 6.653 1.00 0.00 C ATOM 537 CE1 TYR A 38 5.144 5.731 5.522 1.00 0.00 C ATOM 538 CE2 TYR A 38 6.470 5.085 7.406 1.00 0.00 C ATOM 539 CZ TYR A 38 5.522 5.909 6.836 1.00 0.00 C ATOM 540 OH TYR A 38 4.952 6.915 7.582 1.00 0.00 O ATOM 0 H TYR A 38 9.145 1.444 3.541 1.00 0.00 H new ATOM 0 HA TYR A 38 7.522 3.390 2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.516 2.129 4.118 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.925 2.156 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.419 4.582 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.784 3.436 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.402 6.378 5.078 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.764 5.227 8.435 1.00 0.00 H new ATOM 0 HH TYR A 38 5.327 6.904 8.487 1.00 0.00 H new ATOM 550 N ARG A 39 9.896 4.635 4.349 1.00 0.00 N ATOM 551 CA ARG A 39 10.565 5.870 4.739 1.00 0.00 C ATOM 552 C ARG A 39 10.837 6.748 3.521 1.00 0.00 C ATOM 553 O ARG A 39 10.259 7.825 3.376 1.00 0.00 O ATOM 554 CB ARG A 39 11.877 5.559 5.460 1.00 0.00 C ATOM 555 CG ARG A 39 11.698 4.720 6.715 1.00 0.00 C ATOM 556 CD ARG A 39 12.931 4.775 7.603 1.00 0.00 C ATOM 557 NE ARG A 39 12.863 5.869 8.568 1.00 0.00 N ATOM 558 CZ ARG A 39 13.924 6.365 9.193 1.00 0.00 C ATOM 559 NH1 ARG A 39 15.130 5.866 8.956 1.00 0.00 N ATOM 560 NH2 ARG A 39 13.781 7.361 10.058 1.00 0.00 N ATOM 0 H ARG A 39 10.386 3.784 4.627 1.00 0.00 H new ATOM 0 HA ARG A 39 9.906 6.412 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.543 5.035 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.366 6.496 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.831 5.077 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.495 3.686 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.037 3.829 8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.819 4.894 6.983 1.00 0.00 H new ATOM 0 HE ARG A 39 11.950 6.274 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.243 5.100 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.944 6.249 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.855 7.746 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.597 7.741 10.538 1.00 0.00 H new ATOM 574 N LYS A 40 11.723 6.281 2.648 1.00 0.00 N ATOM 575 CA LYS A 40 12.073 7.022 1.442 1.00 0.00 C ATOM 576 C LYS A 40 10.821 7.453 0.685 1.00 0.00 C ATOM 577 O LYS A 40 10.708 8.601 0.253 1.00 0.00 O ATOM 578 CB LYS A 40 12.962 6.169 0.534 1.00 0.00 C ATOM 579 CG LYS A 40 12.394 4.789 0.249 1.00 0.00 C ATOM 580 CD LYS A 40 13.274 4.012 -0.715 1.00 0.00 C ATOM 581 CE LYS A 40 14.348 3.225 0.021 1.00 0.00 C ATOM 582 NZ LYS A 40 15.595 4.020 0.196 1.00 0.00 N ATOM 0 H LYS A 40 12.212 5.392 2.753 1.00 0.00 H new ATOM 0 HA LYS A 40 12.621 7.915 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.112 6.693 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.943 6.061 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.297 4.234 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.392 4.886 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.659 3.329 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.743 4.701 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.971 2.921 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.573 2.313 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.367 3.578 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.441 4.988 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.849 4.050 1.204 1.00 0.00 H new ATOM 596 N LEU A 41 9.882 6.527 0.529 1.00 0.00 N ATOM 597 CA LEU A 41 8.636 6.811 -0.175 1.00 0.00 C ATOM 598 C LEU A 41 7.869 7.938 0.510 1.00 0.00 C ATOM 599 O LEU A 41 7.254 8.774 -0.150 1.00 0.00 O ATOM 600 CB LEU A 41 7.767 5.555 -0.242 1.00 0.00 C ATOM 601 CG LEU A 41 8.424 4.315 -0.851 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.635 3.064 -0.497 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.544 4.463 -2.361 1.00 0.00 C ATOM 0 H LEU A 41 9.959 5.573 0.880 1.00 0.00 H new ATOM 0 HA LEU A 41 8.884 7.128 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.440 5.309 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.872 5.787 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 41 9.426 4.217 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.118 2.192 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.601 2.950 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.620 3.152 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.014 3.572 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.552 4.587 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.153 5.337 -2.594 1.00 0.00 H new ATOM 615 N ALA A 42 7.913 7.954 1.838 1.00 0.00 N ATOM 616 CA ALA A 42 7.226 8.981 2.612 1.00 0.00 C ATOM 617 C ALA A 42 7.905 10.337 2.451 1.00 0.00 C ATOM 618 O ALA A 42 7.238 11.368 2.348 1.00 0.00 O ATOM 619 CB ALA A 42 7.173 8.586 4.081 1.00 0.00 C ATOM 0 H ALA A 42 8.417 7.268 2.400 1.00 0.00 H new ATOM 0 HA ALA A 42 6.208 9.067 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.658 9.361 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.636 7.643 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.187 8.470 4.464 1.00 0.00 H new ATOM 625 N LEU A 43 9.233 10.329 2.430 1.00 0.00 N ATOM 626 CA LEU A 43 10.003 11.559 2.282 1.00 0.00 C ATOM 627 C LEU A 43 9.679 12.248 0.960 1.00 0.00 C ATOM 628 O LEU A 43 9.580 13.474 0.893 1.00 0.00 O ATOM 629 CB LEU A 43 11.501 11.260 2.360 1.00 0.00 C ATOM 630 CG LEU A 43 12.050 10.944 3.752 1.00 0.00 C ATOM 631 CD1 LEU A 43 13.550 11.189 3.802 1.00 0.00 C ATOM 632 CD2 LEU A 43 11.336 11.774 4.808 1.00 0.00 C ATOM 0 H LEU A 43 9.799 9.485 2.514 1.00 0.00 H new ATOM 0 HA LEU A 43 9.730 12.229 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.717 10.416 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.044 12.118 1.963 1.00 0.00 H new ATOM 0 HG LEU A 43 11.868 9.890 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.923 10.959 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.048 10.550 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.756 12.234 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.740 11.536 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.486 12.834 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.270 11.548 4.789 1.00 0.00 H new ATOM 644 N LYS A 44 9.512 11.452 -0.091 1.00 0.00 N ATOM 645 CA LYS A 44 9.195 11.983 -1.411 1.00 0.00 C ATOM 646 C LYS A 44 7.713 12.329 -1.518 1.00 0.00 C ATOM 647 O LYS A 44 7.338 13.294 -2.184 1.00 0.00 O ATOM 648 CB LYS A 44 9.573 10.971 -2.495 1.00 0.00 C ATOM 649 CG LYS A 44 8.830 9.651 -2.380 1.00 0.00 C ATOM 650 CD LYS A 44 8.695 8.968 -3.731 1.00 0.00 C ATOM 651 CE LYS A 44 8.661 7.454 -3.589 1.00 0.00 C ATOM 652 NZ LYS A 44 8.603 6.774 -4.912 1.00 0.00 N ATOM 0 H LYS A 44 9.591 10.436 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 44 9.774 12.895 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.372 11.407 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.645 10.781 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.359 8.994 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.840 9.825 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.784 9.309 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.529 9.256 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.546 7.120 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.795 7.164 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.581 5.744 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.745 7.073 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.442 7.030 -5.471 1.00 0.00 H new ATOM 666 N TYR A 45 6.877 11.536 -0.857 1.00 0.00 N ATOM 667 CA TYR A 45 5.436 11.758 -0.879 1.00 0.00 C ATOM 668 C TYR A 45 4.975 12.468 0.390 1.00 0.00 C ATOM 669 O TYR A 45 3.831 12.318 0.819 1.00 0.00 O ATOM 670 CB TYR A 45 4.696 10.427 -1.029 1.00 0.00 C ATOM 671 CG TYR A 45 4.779 9.842 -2.421 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.155 10.464 -3.495 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.483 8.668 -2.661 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.227 9.932 -4.768 1.00 0.00 C ATOM 675 CE2 TYR A 45 5.562 8.130 -3.931 1.00 0.00 C ATOM 676 CZ TYR A 45 4.932 8.766 -4.981 1.00 0.00 C ATOM 677 OH TYR A 45 5.007 8.234 -6.248 1.00 0.00 O ATOM 0 H TYR A 45 7.172 10.734 -0.300 1.00 0.00 H new ATOM 0 HA TYR A 45 5.205 12.393 -1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.107 9.710 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.648 10.572 -0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.604 11.379 -3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.977 8.168 -1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.734 10.427 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.114 7.217 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 45 5.541 7.413 -6.227 1.00 0.00 H new ATOM 687 N HIS A 46 5.875 13.244 0.986 1.00 0.00 N ATOM 688 CA HIS A 46 5.562 13.980 2.206 1.00 0.00 C ATOM 689 C HIS A 46 4.469 15.013 1.952 1.00 0.00 C ATOM 690 O HIS A 46 4.433 15.672 0.912 1.00 0.00 O ATOM 691 CB HIS A 46 6.815 14.669 2.747 1.00 0.00 C ATOM 692 CG HIS A 46 6.822 14.816 4.237 1.00 0.00 C ATOM 693 ND1 HIS A 46 6.270 15.899 4.889 1.00 0.00 N ATOM 694 CD2 HIS A 46 7.316 14.009 5.204 1.00 0.00 C ATOM 695 CE1 HIS A 46 6.426 15.751 6.193 1.00 0.00 C ATOM 696 NE2 HIS A 46 7.058 14.612 6.410 1.00 0.00 N ATOM 0 H HIS A 46 6.826 13.379 0.644 1.00 0.00 H new ATOM 0 HA HIS A 46 5.199 13.268 2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.693 14.099 2.442 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.902 15.656 2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.820 13.065 5.055 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.093 16.444 6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.313 14.241 7.325 1.00 0.00 H new ATOM 704 N PRO A 47 3.554 15.159 2.922 1.00 0.00 N ATOM 705 CA PRO A 47 2.443 16.110 2.826 1.00 0.00 C ATOM 706 C PRO A 47 2.911 17.559 2.913 1.00 0.00 C ATOM 707 O PRO A 47 2.155 18.484 2.614 1.00 0.00 O ATOM 708 CB PRO A 47 1.568 15.757 4.031 1.00 0.00 C ATOM 709 CG PRO A 47 2.504 15.132 5.008 1.00 0.00 C ATOM 710 CD PRO A 47 3.535 14.407 4.188 1.00 0.00 C ATOM 0 HA PRO A 47 1.925 16.036 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.093 16.645 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.769 15.070 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.969 15.888 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.976 14.444 5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.511 14.412 4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.263 13.363 4.031 1.00 0.00 H new ATOM 718 N ASP A 48 4.159 17.749 3.325 1.00 0.00 N ATOM 719 CA ASP A 48 4.728 19.086 3.450 1.00 0.00 C ATOM 720 C ASP A 48 5.470 19.482 2.178 1.00 0.00 C ATOM 721 O ASP A 48 5.499 20.654 1.802 1.00 0.00 O ATOM 722 CB ASP A 48 5.676 19.150 4.649 1.00 0.00 C ATOM 723 CG ASP A 48 6.124 20.565 4.958 1.00 0.00 C ATOM 724 OD1 ASP A 48 5.272 21.381 5.368 1.00 0.00 O ATOM 725 OD2 ASP A 48 7.327 20.855 4.791 1.00 0.00 O ATOM 0 H ASP A 48 4.796 16.994 3.578 1.00 0.00 H new ATOM 0 HA ASP A 48 3.910 19.789 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.180 18.730 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.550 18.530 4.451 1.00 0.00 H new ATOM 730 N LYS A 49 6.070 18.497 1.518 1.00 0.00 N ATOM 731 CA LYS A 49 6.813 18.741 0.287 1.00 0.00 C ATOM 732 C LYS A 49 5.865 19.034 -0.872 1.00 0.00 C ATOM 733 O LYS A 49 6.170 19.843 -1.747 1.00 0.00 O ATOM 734 CB LYS A 49 7.691 17.535 -0.051 1.00 0.00 C ATOM 735 CG LYS A 49 8.643 17.143 1.066 1.00 0.00 C ATOM 736 CD LYS A 49 9.879 18.027 1.081 1.00 0.00 C ATOM 737 CE LYS A 49 10.835 17.668 -0.046 1.00 0.00 C ATOM 738 NZ LYS A 49 11.573 16.405 0.234 1.00 0.00 N ATOM 0 H LYS A 49 6.056 17.521 1.815 1.00 0.00 H new ATOM 0 HA LYS A 49 7.449 19.613 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.051 16.685 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.269 17.757 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.130 17.217 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.941 16.102 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.582 19.072 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.389 17.925 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.277 17.564 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.547 18.480 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.320 16.274 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.002 16.456 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.913 15.602 0.196 1.00 0.00 H new ATOM 752 N ASN A 50 4.713 18.371 -0.869 1.00 0.00 N ATOM 753 CA ASN A 50 3.720 18.561 -1.920 1.00 0.00 C ATOM 754 C ASN A 50 2.596 19.478 -1.447 1.00 0.00 C ATOM 755 O ASN A 50 1.668 19.058 -0.756 1.00 0.00 O ATOM 756 CB ASN A 50 3.143 17.212 -2.356 1.00 0.00 C ATOM 757 CG ASN A 50 4.200 16.292 -2.935 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.262 16.086 -4.147 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.036 15.733 -2.069 1.00 0.00 N ATOM 0 H ASN A 50 4.444 17.698 -0.151 1.00 0.00 H new ATOM 0 HA ASN A 50 4.214 19.030 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.672 16.727 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.362 17.377 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.767 15.104 -2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.947 15.933 -1.073 1.00 0.00 H new ATOM 766 N PRO A 51 2.680 20.762 -1.828 1.00 0.00 N ATOM 767 CA PRO A 51 1.678 21.765 -1.456 1.00 0.00 C ATOM 768 C PRO A 51 0.344 21.541 -2.159 1.00 0.00 C ATOM 769 O PRO A 51 0.235 21.712 -3.374 1.00 0.00 O ATOM 770 CB PRO A 51 2.309 23.083 -1.913 1.00 0.00 C ATOM 771 CG PRO A 51 3.239 22.697 -3.011 1.00 0.00 C ATOM 772 CD PRO A 51 3.758 21.332 -2.653 1.00 0.00 C ATOM 0 HA PRO A 51 1.446 21.734 -0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.552 23.784 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.841 23.571 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.723 22.679 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.055 23.414 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.946 20.728 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.697 21.391 -2.102 1.00 0.00 H new ATOM 780 N ASP A 52 -0.669 21.159 -1.389 1.00 0.00 N ATOM 781 CA ASP A 52 -1.997 20.914 -1.939 1.00 0.00 C ATOM 782 C ASP A 52 -1.908 20.146 -3.254 1.00 0.00 C ATOM 783 O ASP A 52 -2.589 20.476 -4.224 1.00 0.00 O ATOM 784 CB ASP A 52 -2.736 22.236 -2.155 1.00 0.00 C ATOM 785 CG ASP A 52 -4.219 22.037 -2.398 1.00 0.00 C ATOM 786 OD1 ASP A 52 -4.745 20.970 -2.019 1.00 0.00 O ATOM 787 OD2 ASP A 52 -4.854 22.950 -2.966 1.00 0.00 O ATOM 0 H ASP A 52 -0.596 21.012 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.553 20.309 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.596 22.874 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.298 22.759 -3.005 1.00 0.00 H new ATOM 792 N ASN A 53 -1.062 19.121 -3.279 1.00 0.00 N ATOM 793 CA ASN A 53 -0.882 18.308 -4.476 1.00 0.00 C ATOM 794 C ASN A 53 -1.790 17.082 -4.442 1.00 0.00 C ATOM 795 O ASN A 53 -1.691 16.230 -3.558 1.00 0.00 O ATOM 796 CB ASN A 53 0.579 17.871 -4.606 1.00 0.00 C ATOM 797 CG ASN A 53 1.005 17.704 -6.051 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.263 18.045 -6.973 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.207 17.176 -6.256 1.00 0.00 N ATOM 0 H ASN A 53 -0.491 18.834 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.151 18.914 -5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.220 18.609 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.722 16.929 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.548 17.039 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.788 16.908 -5.462 1.00 0.00 H new ATOM 806 N PRO A 54 -2.696 16.989 -5.427 1.00 0.00 N ATOM 807 CA PRO A 54 -3.638 15.871 -5.533 1.00 0.00 C ATOM 808 C PRO A 54 -2.948 14.565 -5.911 1.00 0.00 C ATOM 809 O PRO A 54 -3.254 13.509 -5.360 1.00 0.00 O ATOM 810 CB PRO A 54 -4.591 16.314 -6.646 1.00 0.00 C ATOM 811 CG PRO A 54 -3.794 17.267 -7.469 1.00 0.00 C ATOM 812 CD PRO A 54 -2.869 17.968 -6.513 1.00 0.00 C ATOM 0 HA PRO A 54 -4.135 15.666 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.929 15.465 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.482 16.792 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.232 16.741 -8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.443 17.980 -7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.918 18.218 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.299 18.901 -6.149 1.00 0.00 H new ATOM 820 N GLU A 55 -2.015 14.646 -6.855 1.00 0.00 N ATOM 821 CA GLU A 55 -1.282 13.469 -7.307 1.00 0.00 C ATOM 822 C GLU A 55 -0.450 12.878 -6.172 1.00 0.00 C ATOM 823 O GLU A 55 -0.530 11.684 -5.887 1.00 0.00 O ATOM 824 CB GLU A 55 -0.375 13.827 -8.486 1.00 0.00 C ATOM 825 CG GLU A 55 0.627 14.924 -8.172 1.00 0.00 C ATOM 826 CD GLU A 55 1.296 15.477 -9.416 1.00 0.00 C ATOM 827 OE1 GLU A 55 0.574 15.803 -10.382 1.00 0.00 O ATOM 828 OE2 GLU A 55 2.540 15.583 -9.424 1.00 0.00 O ATOM 0 H GLU A 55 -1.749 15.514 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.007 12.722 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.164 12.934 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.993 14.141 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.121 15.733 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.389 14.533 -7.498 1.00 0.00 H new ATOM 835 N ALA A 56 0.350 13.723 -5.530 1.00 0.00 N ATOM 836 CA ALA A 56 1.196 13.286 -4.427 1.00 0.00 C ATOM 837 C ALA A 56 0.356 12.847 -3.232 1.00 0.00 C ATOM 838 O ALA A 56 0.671 11.860 -2.569 1.00 0.00 O ATOM 839 CB ALA A 56 2.153 14.398 -4.023 1.00 0.00 C ATOM 0 H ALA A 56 0.430 14.715 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 56 1.777 12.427 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.779 14.058 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.784 14.662 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.583 15.272 -3.709 1.00 0.00 H new ATOM 845 N ALA A 57 -0.713 13.589 -2.962 1.00 0.00 N ATOM 846 CA ALA A 57 -1.598 13.275 -1.847 1.00 0.00 C ATOM 847 C ALA A 57 -2.126 11.848 -1.950 1.00 0.00 C ATOM 848 O ALA A 57 -2.183 11.125 -0.956 1.00 0.00 O ATOM 849 CB ALA A 57 -2.753 14.265 -1.796 1.00 0.00 C ATOM 0 H ALA A 57 -0.987 14.411 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.023 13.356 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.406 14.019 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.362 15.274 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.319 14.212 -2.726 1.00 0.00 H new ATOM 855 N ASP A 58 -2.512 11.451 -3.157 1.00 0.00 N ATOM 856 CA ASP A 58 -3.035 10.109 -3.390 1.00 0.00 C ATOM 857 C ASP A 58 -2.013 9.050 -2.988 1.00 0.00 C ATOM 858 O ASP A 58 -2.206 8.325 -2.012 1.00 0.00 O ATOM 859 CB ASP A 58 -3.417 9.936 -4.861 1.00 0.00 C ATOM 860 CG ASP A 58 -4.414 8.814 -5.071 1.00 0.00 C ATOM 861 OD1 ASP A 58 -5.476 8.832 -4.413 1.00 0.00 O ATOM 862 OD2 ASP A 58 -4.134 7.918 -5.894 1.00 0.00 O ATOM 0 H ASP A 58 -2.473 12.039 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.925 9.980 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.839 10.868 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.519 9.735 -5.445 1.00 0.00 H new ATOM 867 N LYS A 59 -0.926 8.967 -3.747 1.00 0.00 N ATOM 868 CA LYS A 59 0.128 7.997 -3.471 1.00 0.00 C ATOM 869 C LYS A 59 0.403 7.904 -1.974 1.00 0.00 C ATOM 870 O LYS A 59 0.195 6.858 -1.358 1.00 0.00 O ATOM 871 CB LYS A 59 1.410 8.381 -4.214 1.00 0.00 C ATOM 872 CG LYS A 59 1.372 8.063 -5.698 1.00 0.00 C ATOM 873 CD LYS A 59 0.054 8.488 -6.326 1.00 0.00 C ATOM 874 CE LYS A 59 -0.009 8.111 -7.798 1.00 0.00 C ATOM 875 NZ LYS A 59 0.606 9.154 -8.665 1.00 0.00 N ATOM 0 H LYS A 59 -0.751 9.560 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.209 7.021 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.589 9.448 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.253 7.859 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.196 8.570 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.518 6.993 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.772 8.018 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.070 9.566 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.504 7.162 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.048 7.962 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.543 8.859 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.100 10.054 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.605 9.278 -8.403 1.00 0.00 H new ATOM 889 N PHE A 60 0.871 9.004 -1.394 1.00 0.00 N ATOM 890 CA PHE A 60 1.175 9.046 0.032 1.00 0.00 C ATOM 891 C PHE A 60 0.167 8.221 0.827 1.00 0.00 C ATOM 892 O PHE A 60 0.536 7.292 1.546 1.00 0.00 O ATOM 893 CB PHE A 60 1.175 10.492 0.533 1.00 0.00 C ATOM 894 CG PHE A 60 1.628 10.633 1.958 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.809 10.047 2.384 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.873 11.351 2.871 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.228 10.175 3.695 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.287 11.483 4.183 1.00 0.00 C ATOM 899 CZ PHE A 60 2.466 10.895 4.595 1.00 0.00 C ATOM 0 H PHE A 60 1.048 9.878 -1.889 1.00 0.00 H new ATOM 0 HA PHE A 60 2.166 8.618 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.824 11.090 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.169 10.901 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.409 9.484 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.050 11.813 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.150 9.713 4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.689 12.045 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.792 10.998 5.619 1.00 0.00 H new ATOM 909 N LYS A 61 -1.109 8.567 0.693 1.00 0.00 N ATOM 910 CA LYS A 61 -2.172 7.860 1.397 1.00 0.00 C ATOM 911 C LYS A 61 -2.138 6.369 1.078 1.00 0.00 C ATOM 912 O LYS A 61 -2.458 5.536 1.926 1.00 0.00 O ATOM 913 CB LYS A 61 -3.536 8.442 1.020 1.00 0.00 C ATOM 914 CG LYS A 61 -4.699 7.783 1.742 1.00 0.00 C ATOM 915 CD LYS A 61 -5.966 7.814 0.904 1.00 0.00 C ATOM 916 CE LYS A 61 -6.551 9.216 0.830 1.00 0.00 C ATOM 917 NZ LYS A 61 -8.032 9.192 0.676 1.00 0.00 N ATOM 0 H LYS A 61 -1.432 9.334 0.103 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.012 7.988 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.540 9.509 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.681 8.339 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.443 6.750 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.876 8.292 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.747 7.456 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.703 7.133 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.289 9.767 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.107 9.751 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.392 10.167 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.282 8.688 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.458 8.704 1.490 1.00 0.00 H new ATOM 931 N GLU A 62 -1.747 6.040 -0.149 1.00 0.00 N ATOM 932 CA GLU A 62 -1.671 4.648 -0.579 1.00 0.00 C ATOM 933 C GLU A 62 -0.487 3.941 0.075 1.00 0.00 C ATOM 934 O GLU A 62 -0.493 2.721 0.241 1.00 0.00 O ATOM 935 CB GLU A 62 -1.549 4.567 -2.102 1.00 0.00 C ATOM 936 CG GLU A 62 -2.883 4.400 -2.810 1.00 0.00 C ATOM 937 CD GLU A 62 -3.927 5.388 -2.329 1.00 0.00 C ATOM 938 OE1 GLU A 62 -3.804 6.587 -2.656 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.867 4.964 -1.625 1.00 0.00 O ATOM 0 H GLU A 62 -1.478 6.717 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.588 4.148 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.063 5.472 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.901 3.730 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.738 4.524 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.249 3.385 -2.653 1.00 0.00 H new ATOM 946 N ILE A 63 0.528 4.716 0.444 1.00 0.00 N ATOM 947 CA ILE A 63 1.718 4.165 1.080 1.00 0.00 C ATOM 948 C ILE A 63 1.449 3.815 2.539 1.00 0.00 C ATOM 949 O ILE A 63 1.640 2.675 2.960 1.00 0.00 O ATOM 950 CB ILE A 63 2.901 5.149 1.008 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.069 5.675 -0.418 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.179 4.475 1.484 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.194 6.676 -0.564 1.00 0.00 C ATOM 0 H ILE A 63 0.550 5.727 0.313 1.00 0.00 H new ATOM 0 HA ILE A 63 1.977 3.258 0.534 1.00 0.00 H new ATOM 0 HB ILE A 63 2.693 5.994 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.252 4.835 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.136 6.140 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.006 5.182 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.054 4.145 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.394 3.614 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.255 7.006 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.003 7.535 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.136 6.209 -0.276 1.00 0.00 H new ATOM 965 N ASN A 64 1.003 4.804 3.307 1.00 0.00 N ATOM 966 CA ASN A 64 0.706 4.601 4.720 1.00 0.00 C ATOM 967 C ASN A 64 -0.177 3.373 4.919 1.00 0.00 C ATOM 968 O ASN A 64 0.052 2.572 5.824 1.00 0.00 O ATOM 969 CB ASN A 64 0.018 5.838 5.301 1.00 0.00 C ATOM 970 CG ASN A 64 -1.493 5.759 5.203 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.109 4.810 5.688 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.097 6.758 4.571 1.00 0.00 N ATOM 0 H ASN A 64 0.839 5.754 2.974 1.00 0.00 H new ATOM 0 HA ASN A 64 1.648 4.438 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.306 5.953 6.346 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.368 6.726 4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.112 6.759 4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.546 7.524 4.185 1.00 0.00 H new ATOM 979 N ASN A 65 -1.187 3.233 4.067 1.00 0.00 N ATOM 980 CA ASN A 65 -2.105 2.102 4.149 1.00 0.00 C ATOM 981 C ASN A 65 -1.372 0.787 3.902 1.00 0.00 C ATOM 982 O ASN A 65 -1.540 -0.178 4.646 1.00 0.00 O ATOM 983 CB ASN A 65 -3.239 2.265 3.135 1.00 0.00 C ATOM 984 CG ASN A 65 -2.934 1.590 1.812 1.00 0.00 C ATOM 985 OD1 ASN A 65 -2.777 2.252 0.786 1.00 0.00 O ATOM 986 ND2 ASN A 65 -2.849 0.265 1.831 1.00 0.00 N ATOM 0 H ASN A 65 -1.391 3.888 3.312 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.526 2.079 5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.156 1.847 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.421 3.326 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.646 -0.245 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.987 -0.242 2.705 1.00 0.00 H new ATOM 993 N ALA A 66 -0.558 0.758 2.851 1.00 0.00 N ATOM 994 CA ALA A 66 0.202 -0.437 2.507 1.00 0.00 C ATOM 995 C ALA A 66 1.174 -0.809 3.622 1.00 0.00 C ATOM 996 O ALA A 66 1.298 -1.979 3.986 1.00 0.00 O ATOM 997 CB ALA A 66 0.951 -0.227 1.199 1.00 0.00 C ATOM 0 H ALA A 66 -0.408 1.548 2.224 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.500 -1.262 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.515 -1.127 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.238 -0.016 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.637 0.613 1.304 1.00 0.00 H new ATOM 1003 N HIS A 67 1.862 0.193 4.160 1.00 0.00 N ATOM 1004 CA HIS A 67 2.823 -0.030 5.234 1.00 0.00 C ATOM 1005 C HIS A 67 2.117 -0.472 6.512 1.00 0.00 C ATOM 1006 O HIS A 67 2.595 -1.356 7.223 1.00 0.00 O ATOM 1007 CB HIS A 67 3.630 1.242 5.497 1.00 0.00 C ATOM 1008 CG HIS A 67 4.184 1.323 6.886 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.423 1.678 7.980 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.432 1.092 7.356 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.180 1.662 9.063 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.403 1.310 8.712 1.00 0.00 N ATOM 0 H HIS A 67 1.772 1.167 3.870 1.00 0.00 H new ATOM 0 HA HIS A 67 3.502 -0.824 4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.452 1.295 4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.995 2.109 5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.291 0.792 6.774 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.854 1.897 10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.197 1.215 9.345 1.00 0.00 H new ATOM 1020 N ALA A 68 0.978 0.150 6.799 1.00 0.00 N ATOM 1021 CA ALA A 68 0.206 -0.181 7.990 1.00 0.00 C ATOM 1022 C ALA A 68 -0.305 -1.617 7.932 1.00 0.00 C ATOM 1023 O ALA A 68 0.114 -2.466 8.719 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.955 0.789 8.152 1.00 0.00 C ATOM 0 H ALA A 68 0.570 0.886 6.223 1.00 0.00 H new ATOM 0 HA ALA A 68 0.863 -0.092 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.523 0.530 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.570 1.804 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.604 0.728 7.279 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.212 -1.880 6.998 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.779 -3.213 6.838 1.00 0.00 C ATOM 1032 C ILE A 69 -0.696 -4.283 6.909 1.00 0.00 C ATOM 1033 O ILE A 69 -0.886 -5.335 7.521 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.532 -3.348 5.501 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.655 -2.312 5.416 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -3.090 -4.755 5.347 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.267 -2.196 4.038 1.00 0.00 C ATOM 0 H ILE A 69 -1.570 -1.187 6.340 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.483 -3.357 7.658 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.831 -3.165 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.435 -2.575 6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.264 -1.339 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.619 -4.835 4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.272 -5.475 5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.779 -4.965 6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.056 -1.444 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.499 -1.903 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.688 -3.158 3.745 1.00 0.00 H new ATOM 1049 N LEU A 70 0.442 -4.008 6.281 1.00 0.00 N ATOM 1050 CA LEU A 70 1.559 -4.947 6.274 1.00 0.00 C ATOM 1051 C LEU A 70 2.263 -4.966 7.626 1.00 0.00 C ATOM 1052 O LEU A 70 2.680 -6.020 8.107 1.00 0.00 O ATOM 1053 CB LEU A 70 2.554 -4.578 5.173 1.00 0.00 C ATOM 1054 CG LEU A 70 2.049 -4.717 3.736 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.026 -4.078 2.762 1.00 0.00 C ATOM 1056 CD2 LEU A 70 1.827 -6.182 3.389 1.00 0.00 C ATOM 0 H LEU A 70 0.616 -3.143 5.770 1.00 0.00 H new ATOM 0 HA LEU A 70 1.163 -5.943 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.870 -3.546 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.440 -5.203 5.287 1.00 0.00 H new ATOM 0 HG LEU A 70 1.095 -4.196 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.650 -4.187 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.134 -3.019 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.996 -4.569 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.468 -6.263 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.766 -6.726 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.088 -6.608 4.067 1.00 0.00 H new ATOM 1068 N THR A 71 2.390 -3.792 8.238 1.00 0.00 N ATOM 1069 CA THR A 71 3.042 -3.673 9.536 1.00 0.00 C ATOM 1070 C THR A 71 2.076 -3.998 10.669 1.00 0.00 C ATOM 1071 O THR A 71 2.289 -3.599 11.814 1.00 0.00 O ATOM 1072 CB THR A 71 3.611 -2.258 9.751 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.559 -1.290 9.669 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.681 -1.941 8.717 1.00 0.00 C ATOM 0 H THR A 71 2.050 -2.910 7.855 1.00 0.00 H new ATOM 0 HA THR A 71 3.862 -4.391 9.545 1.00 0.00 H new ATOM 0 HB THR A 71 4.064 -2.219 10.742 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.705 -0.714 8.890 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.068 -0.937 8.890 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.494 -2.662 8.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.249 -1.997 7.718 1.00 0.00 H new ATOM 1082 N ASP A 72 1.013 -4.725 10.343 1.00 0.00 N ATOM 1083 CA ASP A 72 0.013 -5.106 11.335 1.00 0.00 C ATOM 1084 C ASP A 72 -0.130 -6.623 11.408 1.00 0.00 C ATOM 1085 O ASP A 72 -0.924 -7.217 10.679 1.00 0.00 O ATOM 1086 CB ASP A 72 -1.336 -4.469 11.000 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.518 -3.116 11.660 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.994 -2.926 12.778 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.184 -2.248 11.059 1.00 0.00 O ATOM 0 H ASP A 72 0.821 -5.063 9.400 1.00 0.00 H new ATOM 0 HA ASP A 72 0.345 -4.744 12.308 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.423 -4.357 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.138 -5.136 11.317 1.00 0.00 H new ATOM 1094 N ALA A 73 0.645 -7.243 12.291 1.00 0.00 N ATOM 1095 CA ALA A 73 0.604 -8.691 12.459 1.00 0.00 C ATOM 1096 C ALA A 73 -0.806 -9.228 12.243 1.00 0.00 C ATOM 1097 O ALA A 73 -0.997 -10.260 11.598 1.00 0.00 O ATOM 1098 CB ALA A 73 1.112 -9.076 13.841 1.00 0.00 C ATOM 0 H ALA A 73 1.309 -6.766 12.901 1.00 0.00 H new ATOM 0 HA ALA A 73 1.254 -9.139 11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.076 -10.160 13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.140 -8.733 13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.485 -8.612 14.602 1.00 0.00 H new ATOM 1104 N THR A 74 -1.793 -8.524 12.788 1.00 0.00 N ATOM 1105 CA THR A 74 -3.186 -8.931 12.656 1.00 0.00 C ATOM 1106 C THR A 74 -3.652 -8.839 11.208 1.00 0.00 C ATOM 1107 O THR A 74 -4.254 -9.772 10.677 1.00 0.00 O ATOM 1108 CB THR A 74 -4.110 -8.068 13.537 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.737 -8.200 14.913 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.564 -8.477 13.359 1.00 0.00 C ATOM 0 H THR A 74 -1.653 -7.668 13.325 1.00 0.00 H new ATOM 0 HA THR A 74 -3.244 -9.968 12.988 1.00 0.00 H new ATOM 0 HB THR A 74 -4.002 -7.028 13.230 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.328 -7.647 15.466 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.197 -7.854 13.991 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.853 -8.348 12.316 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.685 -9.522 13.643 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.370 -7.707 10.572 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.758 -7.491 9.183 1.00 0.00 C ATOM 1120 C LYS A 75 -3.126 -8.540 8.273 1.00 0.00 C ATOM 1121 O LYS A 75 -3.826 -9.260 7.560 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.344 -6.090 8.727 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.259 -4.990 9.238 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.407 -4.730 8.278 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.548 -3.991 8.960 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.827 -4.132 8.211 1.00 0.00 N ATOM 0 H LYS A 75 -2.873 -6.924 10.997 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.842 -7.582 9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.327 -5.892 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.328 -6.061 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.656 -5.269 10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.685 -4.074 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.049 -4.145 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.772 -5.677 7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.676 -4.375 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.294 -2.935 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.579 -3.614 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.713 -3.742 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.083 -5.138 8.147 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.800 -8.622 8.303 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.075 -9.583 7.481 1.00 0.00 C ATOM 1142 C ARG A 76 -1.748 -10.952 7.524 1.00 0.00 C ATOM 1143 O ARG A 76 -2.021 -11.553 6.487 1.00 0.00 O ATOM 1144 CB ARG A 76 0.375 -9.700 7.955 1.00 0.00 C ATOM 1145 CG ARG A 76 1.314 -8.704 7.294 1.00 0.00 C ATOM 1146 CD ARG A 76 2.764 -8.979 7.658 1.00 0.00 C ATOM 1147 NE ARG A 76 3.372 -9.970 6.774 1.00 0.00 N ATOM 1148 CZ ARG A 76 3.339 -11.278 7.003 1.00 0.00 C ATOM 1149 NH1 ARG A 76 2.731 -11.750 8.082 1.00 0.00 N ATOM 1150 NH2 ARG A 76 3.915 -12.116 6.151 1.00 0.00 N ATOM 0 H ARG A 76 -1.206 -8.034 8.888 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.086 -9.224 6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.408 -9.556 9.035 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.733 -10.710 7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.194 -8.752 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.047 -7.692 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.333 -8.051 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.819 -9.330 8.688 1.00 0.00 H new ATOM 0 HE ARG A 76 3.848 -9.640 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.287 -11.108 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.707 -12.755 8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.384 -11.756 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.889 -13.120 6.327 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.010 -11.439 8.733 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.650 -12.737 8.912 1.00 0.00 C ATOM 1166 C ASN A 77 -3.897 -12.854 8.041 1.00 0.00 C ATOM 1167 O ASN A 77 -4.127 -13.882 7.404 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.018 -12.949 10.382 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.722 -14.272 10.616 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -3.446 -15.263 9.940 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -4.638 -14.293 11.578 1.00 0.00 N ATOM 0 H ASN A 77 -1.789 -10.954 9.603 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.943 -13.508 8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.114 -12.909 10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.661 -12.134 10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.145 -15.155 11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.835 -13.447 12.114 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.698 -11.794 8.020 1.00 0.00 N ATOM 1179 CA ILE A 78 -5.921 -11.777 7.226 1.00 0.00 C ATOM 1180 C ILE A 78 -5.608 -11.715 5.735 1.00 0.00 C ATOM 1181 O ILE A 78 -5.868 -12.665 4.996 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.818 -10.582 7.601 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.391 -10.768 9.007 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -7.938 -10.422 6.583 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.947 -9.495 9.606 1.00 0.00 C ATOM 0 H ILE A 78 -4.522 -10.936 8.543 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.452 -12.703 7.445 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.213 -9.675 7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.180 -11.519 8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.610 -11.157 9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.564 -9.574 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.510 -10.249 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.543 -11.328 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.336 -9.702 10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.156 -8.748 9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.751 -9.116 8.974 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.047 -10.593 5.300 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.698 -10.407 3.896 1.00 0.00 C ATOM 1199 C TYR A 79 -4.085 -11.677 3.314 1.00 0.00 C ATOM 1200 O TYR A 79 -4.483 -12.138 2.245 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.722 -9.239 3.742 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.265 -9.016 2.318 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.063 -8.330 1.411 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.036 -9.493 1.879 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -3.650 -8.125 0.109 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -1.614 -9.290 0.580 1.00 0.00 C ATOM 1207 CZ TYR A 79 -2.425 -8.606 -0.302 1.00 0.00 C ATOM 1208 OH TYR A 79 -2.009 -8.404 -1.598 1.00 0.00 O ATOM 0 H TYR A 79 -4.824 -9.798 5.899 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.613 -10.182 3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.197 -8.329 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.850 -9.420 4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.023 -7.951 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.400 -10.032 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.283 -7.591 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.654 -9.665 0.256 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.123 -8.805 -1.724 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.114 -12.238 4.027 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.446 -13.456 3.584 1.00 0.00 C ATOM 1220 C ASP A 80 -3.463 -14.543 3.251 1.00 0.00 C ATOM 1221 O ASP A 80 -3.400 -15.164 2.190 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.481 -13.954 4.661 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.096 -13.354 4.521 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.002 -12.140 4.245 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.893 -14.098 4.686 1.00 0.00 O ATOM 0 H ASP A 80 -2.772 -11.868 4.914 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.881 -13.224 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.882 -13.709 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.410 -15.040 4.607 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.400 -14.770 4.166 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.431 -15.782 3.971 1.00 0.00 C ATOM 1232 C LYS A 81 -6.427 -15.345 2.902 1.00 0.00 C ATOM 1233 O LYS A 81 -6.599 -16.020 1.887 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.165 -16.052 5.287 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.260 -16.564 6.394 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.006 -16.687 7.712 1.00 0.00 C ATOM 1237 CE LYS A 81 -6.756 -18.007 7.807 1.00 0.00 C ATOM 1238 NZ LYS A 81 -5.895 -19.097 8.341 1.00 0.00 N ATOM 0 H LYS A 81 -4.466 -14.266 5.050 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.946 -16.699 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.647 -15.133 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.956 -16.781 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.854 -17.536 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.414 -15.888 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.301 -16.608 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.709 -15.860 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.627 -17.884 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.125 -18.287 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.443 -19.980 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.077 -19.232 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.563 -18.842 9.293 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.079 -14.212 3.135 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.059 -13.685 2.192 1.00 0.00 C ATOM 1254 C TYR A 82 -7.414 -12.682 1.240 1.00 0.00 C ATOM 1255 O TYR A 82 -7.312 -12.926 0.039 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.215 -13.022 2.942 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.703 -13.821 4.131 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.914 -15.191 4.033 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -9.953 -13.205 5.351 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.360 -15.924 5.115 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.397 -13.930 6.439 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.599 -15.289 6.316 1.00 0.00 C ATOM 1263 OH TYR A 82 -11.043 -16.015 7.398 1.00 0.00 O ATOM 0 H TYR A 82 -6.947 -13.640 3.969 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.446 -14.519 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.898 -12.036 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.045 -12.869 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.726 -15.691 3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.797 -12.141 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.521 -16.988 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.585 -13.436 7.381 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.161 -15.418 8.166 1.00 0.00 H new ATOM 1273 N GLY A 83 -6.980 -11.551 1.788 1.00 0.00 N ATOM 1274 CA GLY A 83 -6.350 -10.527 0.975 1.00 0.00 C ATOM 1275 C GLY A 83 -7.152 -9.241 0.939 1.00 0.00 C ATOM 1276 O GLY A 83 -7.374 -8.611 1.972 1.00 0.00 O ATOM 0 H GLY A 83 -7.053 -11.326 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.354 -10.319 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.223 -10.901 -0.041 1.00 0.00 H new ATOM 1280 N SER A 84 -7.586 -8.849 -0.255 1.00 0.00 N ATOM 1281 CA SER A 84 -8.362 -7.627 -0.423 1.00 0.00 C ATOM 1282 C SER A 84 -9.750 -7.776 0.193 1.00 0.00 C ATOM 1283 O SER A 84 -10.163 -6.968 1.026 1.00 0.00 O ATOM 1284 CB SER A 84 -8.485 -7.275 -1.907 1.00 0.00 C ATOM 1285 OG SER A 84 -9.345 -6.165 -2.098 1.00 0.00 O ATOM 0 H SER A 84 -7.413 -9.361 -1.120 1.00 0.00 H new ATOM 0 HA SER A 84 -7.840 -6.821 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.499 -7.049 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.868 -8.135 -2.457 1.00 0.00 H new ATOM 0 HG SER A 84 -9.406 -5.959 -3.054 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.466 -8.815 -0.224 1.00 0.00 N ATOM 1292 CA LEU A 85 -11.809 -9.072 0.286 1.00 0.00 C ATOM 1293 C LEU A 85 -11.818 -9.093 1.811 1.00 0.00 C ATOM 1294 O LEU A 85 -12.610 -8.400 2.447 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.336 -10.401 -0.257 1.00 0.00 C ATOM 1296 CG LEU A 85 -13.852 -10.590 -0.214 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.495 -10.039 -1.477 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.202 -12.060 -0.034 1.00 0.00 C ATOM 0 H LEU A 85 -10.140 -9.492 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.460 -8.265 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.006 -10.504 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.873 -11.210 0.308 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.243 -10.037 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.574 -10.183 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.274 -8.975 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.098 -10.564 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.286 -12.175 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.798 -12.635 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.774 -12.424 0.900 1.00 0.00 H new ATOM 1310 N GLY A 86 -10.929 -9.893 2.392 1.00 0.00 N ATOM 1311 CA GLY A 86 -10.850 -9.988 3.838 1.00 0.00 C ATOM 1312 C GLY A 86 -10.725 -8.631 4.502 1.00 0.00 C ATOM 1313 O GLY A 86 -11.509 -8.292 5.390 1.00 0.00 O ATOM 0 H GLY A 86 -10.262 -10.477 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.739 -10.493 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.993 -10.604 4.112 1.00 0.00 H new ATOM 1317 N LEU A 87 -9.737 -7.853 4.074 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.511 -6.526 4.634 1.00 0.00 C ATOM 1319 C LEU A 87 -10.738 -5.639 4.446 1.00 0.00 C ATOM 1320 O LEU A 87 -11.208 -5.004 5.391 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.292 -5.874 3.978 1.00 0.00 C ATOM 1322 CG LEU A 87 -6.942 -6.532 4.268 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -5.845 -5.888 3.435 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.612 -6.441 5.750 1.00 0.00 C ATOM 0 H LEU A 87 -9.080 -8.119 3.341 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.325 -6.637 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.446 -5.866 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.244 -4.834 4.300 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.006 -7.585 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.892 -6.369 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.076 -6.006 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.780 -4.827 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.648 -6.914 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.567 -5.394 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.384 -6.950 6.327 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.253 -5.602 3.223 1.00 0.00 N ATOM 1337 CA TYR A 88 -12.426 -4.794 2.911 1.00 0.00 C ATOM 1338 C TYR A 88 -13.536 -5.028 3.931 1.00 0.00 C ATOM 1339 O TYR A 88 -13.938 -4.113 4.650 1.00 0.00 O ATOM 1340 CB TYR A 88 -12.934 -5.115 1.505 1.00 0.00 C ATOM 1341 CG TYR A 88 -14.428 -4.944 1.347 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.111 -3.953 2.040 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.156 -5.774 0.503 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -16.476 -3.793 1.899 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -16.521 -5.621 0.355 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.176 -4.629 1.055 1.00 0.00 C ATOM 1347 OH TYR A 88 -18.536 -4.473 0.911 1.00 0.00 O ATOM 0 H TYR A 88 -10.877 -6.122 2.431 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.134 -3.745 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.425 -4.471 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -12.666 -6.142 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.565 -3.296 2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.646 -6.552 -0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -16.992 -3.018 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.072 -6.274 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 88 -18.877 -5.141 0.280 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.027 -6.262 3.988 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.090 -6.620 4.920 1.00 0.00 C ATOM 1359 C VAL A 89 -14.726 -6.223 6.347 1.00 0.00 C ATOM 1360 O VAL A 89 -15.364 -5.356 6.943 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.388 -8.130 4.879 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.169 -8.554 6.114 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.145 -8.489 3.610 1.00 0.00 C ATOM 0 H VAL A 89 -13.706 -7.031 3.400 1.00 0.00 H new ATOM 0 HA VAL A 89 -15.981 -6.074 4.610 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.441 -8.670 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.370 -9.624 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -15.585 -8.333 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.112 -8.009 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.347 -9.560 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -17.087 -7.941 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.544 -8.223 2.740 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.695 -6.864 6.888 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.244 -6.577 8.244 1.00 0.00 C ATOM 1375 C ALA A 90 -13.161 -5.074 8.488 1.00 0.00 C ATOM 1376 O ALA A 90 -13.201 -4.618 9.631 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.894 -7.230 8.501 1.00 0.00 C ATOM 0 H ALA A 90 -13.157 -7.585 6.408 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.974 -6.992 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.570 -7.007 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.982 -8.309 8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.162 -6.842 7.793 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.043 -4.309 7.407 1.00 0.00 N ATOM 1384 CA GLU A 91 -12.952 -2.857 7.506 1.00 0.00 C ATOM 1385 C GLU A 91 -14.125 -2.291 8.302 1.00 0.00 C ATOM 1386 O GLU A 91 -13.936 -1.669 9.347 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.919 -2.230 6.110 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.334 -0.828 6.087 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.001 -0.740 6.804 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -9.965 -1.028 6.168 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.993 -0.385 8.001 1.00 0.00 O ATOM 0 H GLU A 91 -13.008 -4.670 6.454 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.028 -2.611 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.335 -2.869 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.933 -2.198 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.208 -0.508 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.038 -0.137 6.551 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.335 -2.512 7.799 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.538 -2.023 8.462 1.00 0.00 C ATOM 1400 C GLN A 92 -17.173 -3.118 9.314 1.00 0.00 C ATOM 1401 O GLN A 92 -17.711 -2.849 10.388 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.546 -1.517 7.428 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.942 -2.564 6.400 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.059 -2.535 5.168 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -17.056 -1.560 4.416 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -16.305 -3.606 4.954 1.00 0.00 N ATOM 0 H GLN A 92 -15.508 -3.026 6.935 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.253 -1.198 9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.441 -1.171 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.123 -0.655 6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.891 -3.553 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.978 -2.403 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.339 -4.392 5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.691 -3.643 4.140 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.107 -4.353 8.827 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.676 -5.488 9.543 1.00 0.00 C ATOM 1417 C PHE A 93 -16.784 -5.897 10.711 1.00 0.00 C ATOM 1418 O PHE A 93 -17.270 -6.213 11.797 1.00 0.00 O ATOM 1419 CB PHE A 93 -17.868 -6.673 8.594 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.856 -6.406 7.495 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -20.216 -6.552 7.717 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -18.425 -6.009 6.239 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -21.127 -6.308 6.707 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -19.332 -5.763 5.225 1.00 0.00 C ATOM 1425 CZ PHE A 93 -20.684 -5.912 5.460 1.00 0.00 C ATOM 0 H PHE A 93 -16.665 -4.593 7.940 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.646 -5.187 9.938 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -16.906 -6.934 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.200 -7.538 9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -20.568 -6.860 8.690 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -17.368 -5.890 6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -22.184 -6.427 6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -18.983 -5.455 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.395 -5.719 4.670 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.475 -5.890 10.479 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.535 -6.262 11.520 1.00 0.00 C ATOM 1437 C GLY A 94 -13.923 -7.629 11.287 1.00 0.00 C ATOM 1438 O GLY A 94 -14.532 -8.488 10.651 1.00 0.00 O ATOM 0 H GLY A 94 -15.049 -5.633 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.742 -5.516 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.044 -6.255 12.484 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.713 -7.829 11.800 1.00 0.00 N ATOM 1443 CA GLU A 95 -12.017 -9.101 11.641 1.00 0.00 C ATOM 1444 C GLU A 95 -12.802 -10.236 12.293 1.00 0.00 C ATOM 1445 O GLU A 95 -13.004 -11.290 11.691 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.615 -9.021 12.249 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.731 -7.968 11.602 1.00 0.00 C ATOM 1448 CD GLU A 95 -10.113 -6.557 12.007 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -10.399 -6.341 13.203 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -10.127 -5.670 11.128 1.00 0.00 O ATOM 0 H GLU A 95 -12.195 -7.127 12.329 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.931 -9.307 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.702 -8.806 13.314 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.133 -9.994 12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.692 -8.152 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.795 -8.061 10.518 1.00 0.00 H new ATOM 1457 N GLU A 96 -13.241 -10.011 13.528 1.00 0.00 N ATOM 1458 CA GLU A 96 -14.002 -11.014 14.262 1.00 0.00 C ATOM 1459 C GLU A 96 -15.246 -11.432 13.482 1.00 0.00 C ATOM 1460 O GLU A 96 -15.612 -12.606 13.461 1.00 0.00 O ATOM 1461 CB GLU A 96 -14.406 -10.476 15.636 1.00 0.00 C ATOM 1462 CG GLU A 96 -15.294 -9.245 15.571 1.00 0.00 C ATOM 1463 CD GLU A 96 -15.718 -8.758 16.943 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -14.924 -8.045 17.591 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -16.844 -9.090 17.368 1.00 0.00 O ATOM 0 H GLU A 96 -13.082 -9.143 14.040 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.366 -11.889 14.395 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.927 -11.260 16.185 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.506 -10.235 16.201 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.763 -8.446 15.054 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.181 -9.473 14.980 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.890 -10.462 12.842 1.00 0.00 N ATOM 1473 CA ASN A 97 -17.093 -10.728 12.062 1.00 0.00 C ATOM 1474 C ASN A 97 -16.763 -11.542 10.815 1.00 0.00 C ATOM 1475 O ASN A 97 -17.497 -12.460 10.448 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.768 -9.414 11.663 1.00 0.00 C ATOM 1477 CG ASN A 97 -19.268 -9.562 11.496 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.742 -10.492 10.843 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -20.023 -8.644 12.088 1.00 0.00 N ATOM 0 H ASN A 97 -15.599 -9.484 12.848 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.778 -11.307 12.682 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.562 -8.658 12.421 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.335 -9.055 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -21.039 -8.692 12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.587 -7.890 12.619 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.654 -11.200 10.168 1.00 0.00 N ATOM 1487 CA VAL A 98 -15.225 -11.900 8.963 1.00 0.00 C ATOM 1488 C VAL A 98 -15.213 -13.409 9.178 1.00 0.00 C ATOM 1489 O VAL A 98 -15.437 -14.181 8.247 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.822 -11.445 8.518 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.375 -12.218 7.287 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.808 -9.948 8.252 1.00 0.00 C ATOM 0 H VAL A 98 -15.036 -10.442 10.458 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.944 -11.653 8.182 1.00 0.00 H new ATOM 0 HB VAL A 98 -13.118 -11.655 9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.382 -11.883 6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.344 -13.283 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.078 -12.043 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.809 -9.643 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.523 -9.712 7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.081 -9.414 9.162 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.951 -13.823 10.414 1.00 0.00 N ATOM 1503 CA ASN A 99 -14.910 -15.241 10.753 1.00 0.00 C ATOM 1504 C ASN A 99 -16.143 -15.963 10.220 1.00 0.00 C ATOM 1505 O ASN A 99 -16.038 -16.855 9.377 1.00 0.00 O ATOM 1506 CB ASN A 99 -14.815 -15.421 12.269 1.00 0.00 C ATOM 1507 CG ASN A 99 -13.400 -15.243 12.785 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -12.461 -15.067 12.008 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -13.241 -15.289 14.103 1.00 0.00 N ATOM 0 H ASN A 99 -14.764 -13.197 11.197 1.00 0.00 H new ATOM 0 HA ASN A 99 -14.026 -15.676 10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -15.471 -14.702 12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -15.174 -16.414 12.537 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.312 -15.176 14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.048 -15.437 14.709 1.00 0.00 H new ATOM 1516 N THR A 100 -17.312 -15.572 10.717 1.00 0.00 N ATOM 1517 CA THR A 100 -18.566 -16.182 10.291 1.00 0.00 C ATOM 1518 C THR A 100 -18.787 -15.998 8.794 1.00 0.00 C ATOM 1519 O THR A 100 -19.416 -16.832 8.143 1.00 0.00 O ATOM 1520 CB THR A 100 -19.766 -15.588 11.052 1.00 0.00 C ATOM 1521 OG1 THR A 100 -20.936 -16.379 10.816 1.00 0.00 O ATOM 1522 CG2 THR A 100 -20.023 -14.152 10.622 1.00 0.00 C ATOM 0 H THR A 100 -17.417 -14.836 11.415 1.00 0.00 H new ATOM 0 HA THR A 100 -18.492 -17.246 10.516 1.00 0.00 H new ATOM 0 HB THR A 100 -19.532 -15.595 12.117 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.694 -15.996 11.305 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.875 -13.754 11.173 1.00 0.00 H new ATOM 0 HG22 THR A 100 -19.141 -13.546 10.831 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.237 -14.125 9.554 1.00 0.00 H new ATOM 1530 N TYR A 101 -18.265 -14.902 8.254 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.407 -14.609 6.833 1.00 0.00 C ATOM 1532 C TYR A 101 -17.733 -15.683 5.985 1.00 0.00 C ATOM 1533 O TYR A 101 -18.349 -16.258 5.087 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.808 -13.239 6.512 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.798 -12.102 6.630 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.410 -11.811 7.842 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -19.119 -11.317 5.529 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.316 -10.774 7.955 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -20.022 -10.277 5.632 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.618 -10.010 6.847 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.518 -8.975 6.955 1.00 0.00 O ATOM 0 H TYR A 101 -17.740 -14.202 8.779 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.470 -14.598 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -16.971 -13.052 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.406 -13.256 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -19.174 -12.406 8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -18.654 -11.524 4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -20.785 -10.563 8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -20.260 -9.676 4.766 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.047 -8.121 6.859 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.464 -15.948 6.277 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.705 -16.953 5.542 1.00 0.00 C ATOM 1553 C PHE A 102 -15.960 -18.348 6.105 1.00 0.00 C ATOM 1554 O PHE A 102 -15.177 -19.272 5.885 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.209 -16.634 5.598 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.822 -15.434 4.782 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.424 -14.206 5.003 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.855 -15.534 3.795 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.069 -13.099 4.255 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.496 -14.430 3.044 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.104 -13.212 3.274 1.00 0.00 C ATOM 0 H PHE A 102 -15.940 -15.481 7.017 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.036 -16.934 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.920 -16.467 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.647 -17.499 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.180 -14.112 5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.376 -16.484 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.546 -12.147 4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.740 -14.520 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.825 -12.349 2.688 1.00 0.00 H new