USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.873 USER MOD Single : A 27 HIS : no HE2:sc= 0.77 K(o=0.77,f=-3.1!) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00814 USER MOD Single : A 34 SER OG : rot 80:sc= -0.225 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 164:sc= -0.878 (180deg=-1.29) USER MOD Single : A 38 ASN : amide:sc= -0.475 K(o=-0.47,f=-3.7!) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.792 F(o=-2.3!,f=-0.79) USER MOD Single : A 41 CYS SG : rot -178:sc= -3.19! USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.674 (180deg=0.507) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc=-0.00368 (180deg=-0.0991) USER MOD Single : A 47 SER OG : rot 102:sc= 0.507 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0193 (180deg=-0.161) USER MOD Single : A 50 SER OG : rot -172:sc= 0.144 USER MOD Single : A 51 SER OG : rot -81:sc= -0.519 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -0.0579 (180deg=-0.382) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.894 (180deg=-2.16!) USER MOD Single : A 58 THR OG1 : rot -64:sc= -0.651! USER MOD Single : A 67 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 69 TYR OH : rot -30:sc= -0.249 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc=-0.00928 (180deg=-0.103) USER MOD Single : A 73 GLN : amide:sc= -0.792 X(o=-0.79,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.745 6.712 -2.926 1.00 2.54 N ATOM 220 CA ILE A 15 10.469 6.064 -3.238 1.00 12.43 C ATOM 221 C ILE A 15 9.299 6.712 -2.483 1.00 42.31 C ATOM 222 O ILE A 15 9.185 6.594 -1.262 1.00 51.40 O ATOM 223 CB ILE A 15 10.529 4.542 -2.930 1.00 2.40 C ATOM 224 CG1 ILE A 15 11.503 3.852 -3.901 1.00 54.21 C ATOM 225 CG2 ILE A 15 9.140 3.902 -2.998 1.00 30.31 C ATOM 226 CD1 ILE A 15 11.616 2.355 -3.708 1.00 31.04 C ATOM 0 HA ILE A 15 10.294 6.200 -4.305 1.00 12.43 H new ATOM 0 HB ILE A 15 10.894 4.410 -1.911 1.00 2.40 H new ATOM 0 HG12 ILE A 15 11.182 4.052 -4.923 1.00 54.21 H new ATOM 0 HG13 ILE A 15 12.491 4.298 -3.785 1.00 54.21 H new ATOM 0 HG21 ILE A 15 9.219 2.837 -2.777 1.00 30.31 H new ATOM 0 HG22 ILE A 15 8.485 4.376 -2.268 1.00 30.31 H new ATOM 0 HG23 ILE A 15 8.726 4.036 -3.998 1.00 30.31 H new ATOM 0 HD11 ILE A 15 12.322 1.947 -4.432 1.00 31.04 H new ATOM 0 HD12 ILE A 15 11.969 2.144 -2.698 1.00 31.04 H new ATOM 0 HD13 ILE A 15 10.639 1.894 -3.855 1.00 31.04 H new ATOM 238 N THR A 16 8.442 7.408 -3.226 1.00 13.20 N ATOM 239 CA THR A 16 7.264 8.072 -2.657 1.00 0.42 C ATOM 240 C THR A 16 6.117 7.079 -2.427 1.00 75.20 C ATOM 241 O THR A 16 6.170 5.939 -2.891 1.00 3.01 O ATOM 242 CB THR A 16 6.756 9.200 -3.583 1.00 31.34 C ATOM 243 OG1 THR A 16 6.388 8.656 -4.862 1.00 72.11 O ATOM 244 CG2 THR A 16 7.818 10.280 -3.768 1.00 25.35 C ATOM 0 H THR A 16 8.540 7.529 -4.234 1.00 13.20 H new ATOM 0 HA THR A 16 7.576 8.494 -1.702 1.00 0.42 H new ATOM 0 HB THR A 16 5.883 9.655 -3.116 1.00 31.34 H new ATOM 0 HG1 THR A 16 6.065 9.376 -5.443 1.00 72.11 H new ATOM 0 HG21 THR A 16 7.433 11.061 -4.424 1.00 25.35 H new ATOM 0 HG22 THR A 16 8.070 10.712 -2.800 1.00 25.35 H new ATOM 0 HG23 THR A 16 8.711 9.840 -4.213 1.00 25.35 H new ATOM 252 N LEU A 17 5.074 7.525 -1.726 1.00 11.22 N ATOM 253 CA LEU A 17 3.909 6.675 -1.426 1.00 2.54 C ATOM 254 C LEU A 17 3.293 6.068 -2.703 1.00 40.10 C ATOM 255 O LEU A 17 2.796 4.939 -2.691 1.00 24.34 O ATOM 256 CB LEU A 17 2.849 7.488 -0.663 1.00 30.25 C ATOM 257 CG LEU A 17 1.600 6.701 -0.225 1.00 2.03 C ATOM 258 CD1 LEU A 17 1.981 5.545 0.696 1.00 4.41 C ATOM 259 CD2 LEU A 17 0.588 7.625 0.450 1.00 35.43 C ATOM 0 H LEU A 17 5.007 8.472 -1.352 1.00 11.22 H new ATOM 0 HA LEU A 17 4.254 5.849 -0.804 1.00 2.54 H new ATOM 0 HB2 LEU A 17 3.315 7.919 0.223 1.00 30.25 H new ATOM 0 HB3 LEU A 17 2.531 8.319 -1.292 1.00 30.25 H new ATOM 0 HG LEU A 17 1.134 6.281 -1.116 1.00 2.03 H new ATOM 0 HD11 LEU A 17 1.082 5.004 0.992 1.00 4.41 H new ATOM 0 HD12 LEU A 17 2.655 4.868 0.171 1.00 4.41 H new ATOM 0 HD13 LEU A 17 2.478 5.936 1.584 1.00 4.41 H new ATOM 0 HD21 LEU A 17 -0.287 7.048 0.751 1.00 35.43 H new ATOM 0 HD22 LEU A 17 1.042 8.082 1.329 1.00 35.43 H new ATOM 0 HD23 LEU A 17 0.285 8.405 -0.248 1.00 35.43 H new ATOM 271 N GLN A 18 3.340 6.816 -3.805 1.00 13.23 N ATOM 272 CA GLN A 18 2.805 6.343 -5.092 1.00 55.51 C ATOM 273 C GLN A 18 3.579 5.112 -5.602 1.00 14.43 C ATOM 274 O GLN A 18 2.984 4.102 -5.987 1.00 71.54 O ATOM 275 CB GLN A 18 2.849 7.480 -6.128 1.00 43.32 C ATOM 276 CG GLN A 18 2.379 7.083 -7.527 1.00 52.51 C ATOM 277 CD GLN A 18 2.310 8.266 -8.480 1.00 11.24 C ATOM 278 OE1 GLN A 18 3.038 9.244 -8.339 1.00 45.14 O ATOM 279 NE2 GLN A 18 1.434 8.189 -9.462 1.00 75.10 N ATOM 0 H GLN A 18 3.742 7.753 -3.838 1.00 13.23 H new ATOM 0 HA GLN A 18 1.769 6.040 -4.942 1.00 55.51 H new ATOM 0 HB2 GLN A 18 2.230 8.303 -5.771 1.00 43.32 H new ATOM 0 HB3 GLN A 18 3.871 7.854 -6.195 1.00 43.32 H new ATOM 0 HG2 GLN A 18 3.057 6.333 -7.934 1.00 52.51 H new ATOM 0 HG3 GLN A 18 1.395 6.620 -7.457 1.00 52.51 H new ATOM 0 HE21 GLN A 18 0.842 7.363 -9.554 1.00 75.10 H new ATOM 0 HE22 GLN A 18 1.348 8.955 -10.130 1.00 75.10 H new ATOM 288 N LYS A 19 4.909 5.197 -5.591 1.00 62.44 N ATOM 289 CA LYS A 19 5.763 4.066 -5.985 1.00 14.44 C ATOM 290 C LYS A 19 5.676 2.927 -4.953 1.00 64.51 C ATOM 291 O LYS A 19 5.702 1.747 -5.307 1.00 70.23 O ATOM 292 CB LYS A 19 7.219 4.530 -6.152 1.00 73.45 C ATOM 293 CG LYS A 19 8.202 3.405 -6.485 1.00 34.42 C ATOM 294 CD LYS A 19 7.897 2.739 -7.829 1.00 23.01 C ATOM 295 CE LYS A 19 8.134 3.684 -9.002 1.00 1.44 C ATOM 296 NZ LYS A 19 7.921 3.009 -10.308 1.00 72.44 N ATOM 0 H LYS A 19 5.422 6.034 -5.315 1.00 62.44 H new ATOM 0 HA LYS A 19 5.406 3.685 -6.941 1.00 14.44 H new ATOM 0 HB2 LYS A 19 7.261 5.280 -6.942 1.00 73.45 H new ATOM 0 HB3 LYS A 19 7.541 5.018 -5.232 1.00 73.45 H new ATOM 0 HG2 LYS A 19 9.215 3.806 -6.504 1.00 34.42 H new ATOM 0 HG3 LYS A 19 8.171 2.654 -5.696 1.00 34.42 H new ATOM 0 HD2 LYS A 19 8.522 1.854 -7.945 1.00 23.01 H new ATOM 0 HD3 LYS A 19 6.861 2.401 -7.839 1.00 23.01 H new ATOM 0 HE2 LYS A 19 7.462 4.539 -8.921 1.00 1.44 H new ATOM 0 HE3 LYS A 19 9.151 4.072 -8.956 1.00 1.44 H new ATOM 0 HZ1 LYS A 19 8.092 3.685 -11.080 1.00 72.44 H new ATOM 0 HZ2 LYS A 19 8.579 2.209 -10.397 1.00 72.44 H new ATOM 0 HZ3 LYS A 19 6.943 2.660 -10.363 1.00 72.44 H new ATOM 310 N LEU A 20 5.565 3.301 -3.678 1.00 62.41 N ATOM 311 CA LEU A 20 5.414 2.339 -2.580 1.00 3.55 C ATOM 312 C LEU A 20 4.197 1.426 -2.819 1.00 54.51 C ATOM 313 O LEU A 20 4.312 0.195 -2.805 1.00 25.15 O ATOM 314 CB LEU A 20 5.284 3.113 -1.248 1.00 64.11 C ATOM 315 CG LEU A 20 5.245 2.274 0.050 1.00 25.55 C ATOM 316 CD1 LEU A 20 5.695 3.116 1.244 1.00 75.54 C ATOM 317 CD2 LEU A 20 3.843 1.712 0.311 1.00 41.40 C ATOM 0 H LEU A 20 5.577 4.275 -3.375 1.00 62.41 H new ATOM 0 HA LEU A 20 6.293 1.697 -2.532 1.00 3.55 H new ATOM 0 HB2 LEU A 20 6.121 3.808 -1.177 1.00 64.11 H new ATOM 0 HB3 LEU A 20 4.374 3.712 -1.292 1.00 64.11 H new ATOM 0 HG LEU A 20 5.931 1.437 -0.079 1.00 25.55 H new ATOM 0 HD11 LEU A 20 5.662 2.510 2.150 1.00 75.54 H new ATOM 0 HD12 LEU A 20 6.714 3.466 1.079 1.00 75.54 H new ATOM 0 HD13 LEU A 20 5.031 3.973 1.356 1.00 75.54 H new ATOM 0 HD21 LEU A 20 3.851 1.127 1.231 1.00 41.40 H new ATOM 0 HD22 LEU A 20 3.134 2.534 0.409 1.00 41.40 H new ATOM 0 HD23 LEU A 20 3.546 1.074 -0.522 1.00 41.40 H new ATOM 329 N LEU A 21 3.037 2.040 -3.046 1.00 24.22 N ATOM 330 CA LEU A 21 1.810 1.296 -3.349 1.00 35.14 C ATOM 331 C LEU A 21 1.979 0.428 -4.606 1.00 44.12 C ATOM 332 O LEU A 21 1.620 -0.752 -4.613 1.00 23.03 O ATOM 333 CB LEU A 21 0.640 2.270 -3.539 1.00 30.51 C ATOM 334 CG LEU A 21 -0.719 1.617 -3.853 1.00 63.52 C ATOM 335 CD1 LEU A 21 -1.190 0.740 -2.695 1.00 63.31 C ATOM 336 CD2 LEU A 21 -1.760 2.682 -4.181 1.00 73.53 C ATOM 0 H LEU A 21 2.918 3.053 -3.026 1.00 24.22 H new ATOM 0 HA LEU A 21 1.600 0.635 -2.508 1.00 35.14 H new ATOM 0 HB2 LEU A 21 0.536 2.868 -2.633 1.00 30.51 H new ATOM 0 HB3 LEU A 21 0.889 2.957 -4.348 1.00 30.51 H new ATOM 0 HG LEU A 21 -0.592 0.977 -4.726 1.00 63.52 H new ATOM 0 HD11 LEU A 21 -2.152 0.292 -2.945 1.00 63.31 H new ATOM 0 HD12 LEU A 21 -0.459 -0.048 -2.515 1.00 63.31 H new ATOM 0 HD13 LEU A 21 -1.296 1.349 -1.797 1.00 63.31 H new ATOM 0 HD21 LEU A 21 -2.714 2.203 -4.400 1.00 73.53 H new ATOM 0 HD22 LEU A 21 -1.877 3.351 -3.328 1.00 73.53 H new ATOM 0 HD23 LEU A 21 -1.434 3.255 -5.049 1.00 73.53 H new ATOM 348 N THR A 22 2.536 1.017 -5.666 1.00 63.11 N ATOM 349 CA THR A 22 2.780 0.291 -6.924 1.00 45.23 C ATOM 350 C THR A 22 3.568 -1.006 -6.679 1.00 0.21 C ATOM 351 O THR A 22 3.164 -2.082 -7.117 1.00 52.55 O ATOM 352 CB THR A 22 3.556 1.162 -7.944 1.00 13.25 C ATOM 353 OG1 THR A 22 2.812 2.354 -8.247 1.00 53.42 O ATOM 354 CG2 THR A 22 3.822 0.394 -9.235 1.00 31.44 C ATOM 0 H THR A 22 2.828 1.994 -5.683 1.00 63.11 H new ATOM 0 HA THR A 22 1.800 0.047 -7.335 1.00 45.23 H new ATOM 0 HB THR A 22 4.511 1.429 -7.493 1.00 13.25 H new ATOM 0 HG1 THR A 22 2.868 2.976 -7.491 1.00 53.42 H new ATOM 0 HG21 THR A 22 4.368 1.031 -9.931 1.00 31.44 H new ATOM 0 HG22 THR A 22 4.414 -0.494 -9.015 1.00 31.44 H new ATOM 0 HG23 THR A 22 2.874 0.096 -9.683 1.00 31.44 H new ATOM 362 N GLU A 23 4.687 -0.888 -5.962 1.00 21.23 N ATOM 363 CA GLU A 23 5.517 -2.046 -5.603 1.00 2.34 C ATOM 364 C GLU A 23 4.691 -3.161 -4.942 1.00 54.14 C ATOM 365 O GLU A 23 4.848 -4.340 -5.269 1.00 42.04 O ATOM 366 CB GLU A 23 6.646 -1.610 -4.657 1.00 14.43 C ATOM 367 CG GLU A 23 7.809 -0.903 -5.345 1.00 62.45 C ATOM 368 CD GLU A 23 8.749 -1.875 -6.044 1.00 75.41 C ATOM 369 OE1 GLU A 23 8.515 -2.200 -7.224 1.00 11.31 O ATOM 370 OE2 GLU A 23 9.722 -2.332 -5.402 1.00 22.01 O ATOM 0 H GLU A 23 5.043 0.003 -5.615 1.00 21.23 H new ATOM 0 HA GLU A 23 5.940 -2.445 -6.525 1.00 2.34 H new ATOM 0 HB2 GLU A 23 6.231 -0.946 -3.898 1.00 14.43 H new ATOM 0 HB3 GLU A 23 7.028 -2.489 -4.138 1.00 14.43 H new ATOM 0 HG2 GLU A 23 7.419 -0.192 -6.073 1.00 62.45 H new ATOM 0 HG3 GLU A 23 8.369 -0.328 -4.607 1.00 62.45 H new ATOM 377 N LEU A 24 3.817 -2.782 -4.013 1.00 53.51 N ATOM 378 CA LEU A 24 2.954 -3.745 -3.319 1.00 61.14 C ATOM 379 C LEU A 24 1.948 -4.401 -4.279 1.00 74.42 C ATOM 380 O LEU A 24 1.743 -5.612 -4.244 1.00 53.04 O ATOM 381 CB LEU A 24 2.215 -3.057 -2.162 1.00 45.04 C ATOM 382 CG LEU A 24 3.116 -2.515 -1.041 1.00 74.54 C ATOM 383 CD1 LEU A 24 2.282 -1.859 0.055 1.00 62.03 C ATOM 384 CD2 LEU A 24 3.986 -3.632 -0.465 1.00 43.03 C ATOM 0 H LEU A 24 3.685 -1.814 -3.720 1.00 53.51 H new ATOM 0 HA LEU A 24 3.591 -4.534 -2.919 1.00 61.14 H new ATOM 0 HB2 LEU A 24 1.629 -2.232 -2.566 1.00 45.04 H new ATOM 0 HB3 LEU A 24 1.510 -3.767 -1.729 1.00 45.04 H new ATOM 0 HG LEU A 24 3.772 -1.755 -1.467 1.00 74.54 H new ATOM 0 HD11 LEU A 24 2.941 -1.483 0.838 1.00 62.03 H new ATOM 0 HD12 LEU A 24 1.712 -1.032 -0.368 1.00 62.03 H new ATOM 0 HD13 LEU A 24 1.597 -2.593 0.479 1.00 62.03 H new ATOM 0 HD21 LEU A 24 4.617 -3.230 0.327 1.00 43.03 H new ATOM 0 HD22 LEU A 24 3.348 -4.417 -0.058 1.00 43.03 H new ATOM 0 HD23 LEU A 24 4.614 -4.047 -1.253 1.00 43.03 H new ATOM 396 N VAL A 25 1.331 -3.601 -5.139 1.00 3.11 N ATOM 397 CA VAL A 25 0.370 -4.115 -6.122 1.00 73.14 C ATOM 398 C VAL A 25 1.037 -5.084 -7.118 1.00 71.33 C ATOM 399 O VAL A 25 0.444 -6.088 -7.517 1.00 52.03 O ATOM 400 CB VAL A 25 -0.302 -2.954 -6.899 1.00 41.44 C ATOM 401 CG1 VAL A 25 -1.281 -3.483 -7.948 1.00 24.44 C ATOM 402 CG2 VAL A 25 -1.005 -2.004 -5.927 1.00 1.04 C ATOM 0 H VAL A 25 1.475 -2.592 -5.180 1.00 3.11 H new ATOM 0 HA VAL A 25 -0.391 -4.663 -5.566 1.00 73.14 H new ATOM 0 HB VAL A 25 0.476 -2.401 -7.425 1.00 41.44 H new ATOM 0 HG11 VAL A 25 -1.736 -2.645 -8.476 1.00 24.44 H new ATOM 0 HG12 VAL A 25 -0.747 -4.113 -8.659 1.00 24.44 H new ATOM 0 HG13 VAL A 25 -2.059 -4.068 -7.457 1.00 24.44 H new ATOM 0 HG21 VAL A 25 -1.473 -1.193 -6.485 1.00 1.04 H new ATOM 0 HG22 VAL A 25 -1.768 -2.550 -5.372 1.00 1.04 H new ATOM 0 HG23 VAL A 25 -0.276 -1.591 -5.230 1.00 1.04 H new ATOM 412 N GLU A 26 2.276 -4.784 -7.497 1.00 44.52 N ATOM 413 CA GLU A 26 3.022 -5.618 -8.449 1.00 53.43 C ATOM 414 C GLU A 26 3.538 -6.920 -7.806 1.00 63.43 C ATOM 415 O GLU A 26 3.508 -7.981 -8.431 1.00 11.11 O ATOM 416 CB GLU A 26 4.206 -4.827 -9.031 1.00 11.32 C ATOM 417 CG GLU A 26 3.799 -3.571 -9.799 1.00 73.41 C ATOM 418 CD GLU A 26 2.949 -3.873 -11.023 1.00 25.32 C ATOM 419 OE1 GLU A 26 3.521 -4.205 -12.085 1.00 33.52 O ATOM 420 OE2 GLU A 26 1.707 -3.779 -10.933 1.00 42.50 O ATOM 0 H GLU A 26 2.790 -3.969 -7.162 1.00 44.52 H new ATOM 0 HA GLU A 26 2.330 -5.893 -9.245 1.00 53.43 H new ATOM 0 HB2 GLU A 26 4.874 -4.542 -8.218 1.00 11.32 H new ATOM 0 HB3 GLU A 26 4.773 -5.479 -9.696 1.00 11.32 H new ATOM 0 HG2 GLU A 26 3.246 -2.908 -9.134 1.00 73.41 H new ATOM 0 HG3 GLU A 26 4.696 -3.035 -10.109 1.00 73.41 H new ATOM 427 N HIS A 27 4.012 -6.834 -6.562 1.00 2.44 N ATOM 428 CA HIS A 27 4.645 -7.984 -5.889 1.00 64.04 C ATOM 429 C HIS A 27 3.682 -8.743 -4.950 1.00 12.11 C ATOM 430 O HIS A 27 3.993 -9.844 -4.501 1.00 0.42 O ATOM 431 CB HIS A 27 5.883 -7.513 -5.117 1.00 44.21 C ATOM 432 CG HIS A 27 6.949 -6.944 -6.003 1.00 11.31 C ATOM 433 ND1 HIS A 27 7.110 -5.593 -6.213 1.00 64.55 N ATOM 434 CD2 HIS A 27 7.907 -7.548 -6.747 1.00 52.14 C ATOM 435 CE1 HIS A 27 8.111 -5.391 -7.044 1.00 71.53 C ATOM 436 NE2 HIS A 27 8.614 -6.558 -7.384 1.00 52.42 N ATOM 0 H HIS A 27 3.973 -5.986 -5.997 1.00 2.44 H new ATOM 0 HA HIS A 27 4.936 -8.690 -6.667 1.00 64.04 H new ATOM 0 HB2 HIS A 27 5.584 -6.759 -4.389 1.00 44.21 H new ATOM 0 HB3 HIS A 27 6.295 -8.352 -4.556 1.00 44.21 H new ATOM 0 HD1 HIS A 27 6.541 -4.860 -5.789 1.00 64.55 H new ATOM 0 HD2 HIS A 27 8.082 -8.611 -6.825 1.00 52.14 H new ATOM 0 HE1 HIS A 27 8.460 -4.429 -7.389 1.00 71.53 H new ATOM 445 N TYR A 28 2.523 -8.156 -4.650 1.00 52.14 N ATOM 446 CA TYR A 28 1.519 -8.806 -3.788 1.00 52.23 C ATOM 447 C TYR A 28 0.135 -8.806 -4.457 1.00 13.44 C ATOM 448 O TYR A 28 -0.472 -9.860 -4.669 1.00 72.44 O ATOM 449 CB TYR A 28 1.431 -8.096 -2.425 1.00 3.21 C ATOM 450 CG TYR A 28 2.711 -8.147 -1.609 1.00 21.12 C ATOM 451 CD1 TYR A 28 3.693 -7.170 -1.749 1.00 54.53 C ATOM 452 CD2 TYR A 28 2.932 -9.166 -0.687 1.00 53.05 C ATOM 453 CE1 TYR A 28 4.853 -7.210 -1.000 1.00 35.44 C ATOM 454 CE2 TYR A 28 4.089 -9.213 0.065 1.00 71.05 C ATOM 455 CZ TYR A 28 5.048 -8.233 -0.094 1.00 4.14 C ATOM 456 OH TYR A 28 6.203 -8.274 0.655 1.00 71.54 O ATOM 0 H TYR A 28 2.251 -7.233 -4.988 1.00 52.14 H new ATOM 0 HA TYR A 28 1.835 -9.838 -3.634 1.00 52.23 H new ATOM 0 HB2 TYR A 28 1.160 -7.053 -2.589 1.00 3.21 H new ATOM 0 HB3 TYR A 28 0.626 -8.547 -1.845 1.00 3.21 H new ATOM 0 HD1 TYR A 28 3.545 -6.367 -2.456 1.00 54.53 H new ATOM 0 HD2 TYR A 28 2.184 -9.934 -0.557 1.00 53.05 H new ATOM 0 HE1 TYR A 28 5.604 -6.444 -1.123 1.00 35.44 H new ATOM 0 HE2 TYR A 28 4.243 -10.013 0.774 1.00 71.05 H new ATOM 0 HH TYR A 28 6.183 -9.057 1.245 1.00 71.54 H new ATOM 466 N GLY A 29 -0.358 -7.617 -4.790 1.00 11.33 N ATOM 467 CA GLY A 29 -1.677 -7.487 -5.404 1.00 42.21 C ATOM 468 C GLY A 29 -2.735 -6.953 -4.441 1.00 72.25 C ATOM 469 O GLY A 29 -2.610 -7.103 -3.222 1.00 50.20 O ATOM 0 H GLY A 29 0.132 -6.734 -4.646 1.00 11.33 H new ATOM 0 HA2 GLY A 29 -1.607 -6.821 -6.264 1.00 42.21 H new ATOM 0 HA3 GLY A 29 -1.994 -8.460 -5.780 1.00 42.21 H new ATOM 473 N TRP A 30 -3.784 -6.339 -4.987 1.00 21.42 N ATOM 474 CA TRP A 30 -4.844 -5.725 -4.168 1.00 63.12 C ATOM 475 C TRP A 30 -5.537 -6.745 -3.247 1.00 30.55 C ATOM 476 O TRP A 30 -5.970 -6.398 -2.147 1.00 14.21 O ATOM 477 CB TRP A 30 -5.892 -5.050 -5.065 1.00 4.03 C ATOM 478 CG TRP A 30 -5.350 -3.914 -5.886 1.00 74.03 C ATOM 479 CD1 TRP A 30 -4.980 -3.953 -7.200 1.00 61.21 C ATOM 480 CD2 TRP A 30 -5.122 -2.567 -5.447 1.00 75.44 C ATOM 481 NE1 TRP A 30 -4.538 -2.718 -7.604 1.00 75.52 N ATOM 482 CE2 TRP A 30 -4.613 -1.852 -6.547 1.00 22.21 C ATOM 483 CE3 TRP A 30 -5.296 -1.898 -4.232 1.00 25.21 C ATOM 484 CZ2 TRP A 30 -4.278 -0.503 -6.467 1.00 21.14 C ATOM 485 CZ3 TRP A 30 -4.962 -0.560 -4.155 1.00 4.43 C ATOM 486 CH2 TRP A 30 -4.458 0.126 -5.268 1.00 3.41 C ATOM 0 H TRP A 30 -3.928 -6.250 -5.993 1.00 21.42 H new ATOM 0 HA TRP A 30 -4.362 -4.979 -3.536 1.00 63.12 H new ATOM 0 HB2 TRP A 30 -6.319 -5.797 -5.734 1.00 4.03 H new ATOM 0 HB3 TRP A 30 -6.705 -4.679 -4.441 1.00 4.03 H new ATOM 0 HD1 TRP A 30 -5.028 -4.829 -7.830 1.00 61.21 H new ATOM 0 HE1 TRP A 30 -4.207 -2.484 -8.540 1.00 75.52 H new ATOM 0 HE3 TRP A 30 -5.685 -2.418 -3.369 1.00 25.21 H new ATOM 0 HZ2 TRP A 30 -3.889 0.028 -7.323 1.00 21.14 H new ATOM 0 HZ3 TRP A 30 -5.092 -0.034 -3.221 1.00 4.43 H new ATOM 0 HH2 TRP A 30 -4.207 1.172 -5.176 1.00 3.41 H new ATOM 497 N GLU A 31 -5.641 -7.996 -3.701 1.00 53.01 N ATOM 498 CA GLU A 31 -6.282 -9.060 -2.914 1.00 43.05 C ATOM 499 C GLU A 31 -5.626 -9.220 -1.530 1.00 42.43 C ATOM 500 O GLU A 31 -6.277 -9.034 -0.500 1.00 11.24 O ATOM 501 CB GLU A 31 -6.232 -10.398 -3.668 1.00 24.14 C ATOM 502 CG GLU A 31 -6.972 -10.392 -5.002 1.00 1.20 C ATOM 503 CD GLU A 31 -8.454 -10.102 -4.843 1.00 65.04 C ATOM 504 OE1 GLU A 31 -9.184 -10.982 -4.338 1.00 33.21 O ATOM 505 OE2 GLU A 31 -8.901 -8.992 -5.218 1.00 12.22 O ATOM 0 H GLU A 31 -5.291 -8.300 -4.609 1.00 53.01 H new ATOM 0 HA GLU A 31 -7.322 -8.768 -2.766 1.00 43.05 H new ATOM 0 HB2 GLU A 31 -5.190 -10.664 -3.845 1.00 24.14 H new ATOM 0 HB3 GLU A 31 -6.656 -11.176 -3.033 1.00 24.14 H new ATOM 0 HG2 GLU A 31 -6.527 -9.644 -5.657 1.00 1.20 H new ATOM 0 HG3 GLU A 31 -6.844 -11.359 -5.489 1.00 1.20 H new ATOM 512 N GLU A 32 -4.333 -9.550 -1.516 1.00 23.33 N ATOM 513 CA GLU A 32 -3.594 -9.744 -0.259 1.00 32.02 C ATOM 514 C GLU A 32 -3.555 -8.455 0.578 1.00 23.55 C ATOM 515 O GLU A 32 -3.707 -8.492 1.803 1.00 62.43 O ATOM 516 CB GLU A 32 -2.164 -10.227 -0.546 1.00 22.41 C ATOM 517 CG GLU A 32 -2.093 -11.566 -1.278 1.00 32.21 C ATOM 518 CD GLU A 32 -2.762 -12.699 -0.515 1.00 62.41 C ATOM 519 OE1 GLU A 32 -3.978 -12.925 -0.711 1.00 41.43 O ATOM 520 OE2 GLU A 32 -2.077 -13.381 0.279 1.00 53.23 O ATOM 0 H GLU A 32 -3.773 -9.689 -2.357 1.00 23.33 H new ATOM 0 HA GLU A 32 -4.120 -10.505 0.317 1.00 32.02 H new ATOM 0 HB2 GLU A 32 -1.650 -9.472 -1.141 1.00 22.41 H new ATOM 0 HB3 GLU A 32 -1.624 -10.312 0.397 1.00 22.41 H new ATOM 0 HG2 GLU A 32 -2.566 -11.465 -2.255 1.00 32.21 H new ATOM 0 HG3 GLU A 32 -1.048 -11.822 -1.455 1.00 32.21 H new ATOM 527 N LEU A 33 -3.355 -7.317 -0.088 1.00 11.31 N ATOM 528 CA LEU A 33 -3.325 -6.016 0.592 1.00 53.54 C ATOM 529 C LEU A 33 -4.637 -5.759 1.355 1.00 15.23 C ATOM 530 O LEU A 33 -4.621 -5.407 2.533 1.00 23.35 O ATOM 531 CB LEU A 33 -3.071 -4.884 -0.419 1.00 61.41 C ATOM 532 CG LEU A 33 -1.729 -4.957 -1.168 1.00 53.51 C ATOM 533 CD1 LEU A 33 -1.627 -3.834 -2.198 1.00 12.53 C ATOM 534 CD2 LEU A 33 -0.552 -4.900 -0.194 1.00 10.40 C ATOM 0 H LEU A 33 -3.211 -7.267 -1.097 1.00 11.31 H new ATOM 0 HA LEU A 33 -2.508 -6.035 1.313 1.00 53.54 H new ATOM 0 HB2 LEU A 33 -3.878 -4.887 -1.152 1.00 61.41 H new ATOM 0 HB3 LEU A 33 -3.122 -3.931 0.108 1.00 61.41 H new ATOM 0 HG LEU A 33 -1.688 -5.912 -1.692 1.00 53.51 H new ATOM 0 HD11 LEU A 33 -0.671 -3.902 -2.717 1.00 12.53 H new ATOM 0 HD12 LEU A 33 -2.439 -3.927 -2.919 1.00 12.53 H new ATOM 0 HD13 LEU A 33 -1.698 -2.870 -1.694 1.00 12.53 H new ATOM 0 HD21 LEU A 33 0.384 -4.953 -0.751 1.00 10.40 H new ATOM 0 HD22 LEU A 33 -0.588 -3.966 0.366 1.00 10.40 H new ATOM 0 HD23 LEU A 33 -0.611 -5.740 0.498 1.00 10.40 H new ATOM 546 N SER A 34 -5.767 -5.960 0.680 1.00 15.42 N ATOM 547 CA SER A 34 -7.088 -5.749 1.294 1.00 71.04 C ATOM 548 C SER A 34 -7.461 -6.902 2.237 1.00 63.51 C ATOM 549 O SER A 34 -8.331 -6.760 3.097 1.00 51.41 O ATOM 550 CB SER A 34 -8.162 -5.593 0.212 1.00 23.43 C ATOM 551 OG SER A 34 -9.416 -5.218 0.770 1.00 61.14 O ATOM 0 H SER A 34 -5.801 -6.268 -0.292 1.00 15.42 H new ATOM 0 HA SER A 34 -7.035 -4.833 1.882 1.00 71.04 H new ATOM 0 HB2 SER A 34 -7.845 -4.841 -0.511 1.00 23.43 H new ATOM 0 HB3 SER A 34 -8.271 -6.531 -0.332 1.00 23.43 H new ATOM 0 HG SER A 34 -9.415 -4.257 0.960 1.00 61.14 H new ATOM 557 N TYR A 35 -6.815 -8.052 2.067 1.00 13.41 N ATOM 558 CA TYR A 35 -7.048 -9.197 2.951 1.00 31.33 C ATOM 559 C TYR A 35 -6.325 -9.000 4.297 1.00 24.14 C ATOM 560 O TYR A 35 -6.742 -9.534 5.328 1.00 62.23 O ATOM 561 CB TYR A 35 -6.588 -10.500 2.275 1.00 63.25 C ATOM 562 CG TYR A 35 -7.097 -11.755 2.959 1.00 70.34 C ATOM 563 CD1 TYR A 35 -8.440 -12.105 2.887 1.00 40.22 C ATOM 564 CD2 TYR A 35 -6.242 -12.587 3.672 1.00 41.41 C ATOM 565 CE1 TYR A 35 -8.916 -13.243 3.509 1.00 45.42 C ATOM 566 CE2 TYR A 35 -6.711 -13.729 4.294 1.00 35.44 C ATOM 567 CZ TYR A 35 -8.048 -14.052 4.209 1.00 13.51 C ATOM 568 OH TYR A 35 -8.520 -15.189 4.829 1.00 71.14 O ATOM 0 H TYR A 35 -6.129 -8.219 1.331 1.00 13.41 H new ATOM 0 HA TYR A 35 -8.118 -9.269 3.146 1.00 31.33 H new ATOM 0 HB2 TYR A 35 -6.925 -10.500 1.238 1.00 63.25 H new ATOM 0 HB3 TYR A 35 -5.498 -10.524 2.256 1.00 63.25 H new ATOM 0 HD1 TYR A 35 -9.123 -11.477 2.335 1.00 40.22 H new ATOM 0 HD2 TYR A 35 -5.194 -12.337 3.741 1.00 41.41 H new ATOM 0 HE1 TYR A 35 -9.964 -13.497 3.447 1.00 45.42 H new ATOM 0 HE2 TYR A 35 -6.033 -14.365 4.844 1.00 35.44 H new ATOM 0 HH TYR A 35 -7.780 -15.648 5.278 1.00 71.14 H new ATOM 578 N MET A 36 -5.230 -8.236 4.275 1.00 53.54 N ATOM 579 CA MET A 36 -4.515 -7.862 5.504 1.00 75.31 C ATOM 580 C MET A 36 -5.094 -6.572 6.115 1.00 62.44 C ATOM 581 O MET A 36 -5.182 -6.438 7.339 1.00 3.30 O ATOM 582 CB MET A 36 -3.013 -7.698 5.222 1.00 61.42 C ATOM 583 CG MET A 36 -2.298 -9.013 4.930 1.00 64.43 C ATOM 584 SD MET A 36 -0.534 -8.799 4.607 1.00 13.02 S ATOM 585 CE MET A 36 -0.562 -7.972 3.014 1.00 53.53 C ATOM 0 H MET A 36 -4.817 -7.863 3.420 1.00 53.54 H new ATOM 0 HA MET A 36 -4.649 -8.665 6.229 1.00 75.31 H new ATOM 0 HB2 MET A 36 -2.883 -7.027 4.373 1.00 61.42 H new ATOM 0 HB3 MET A 36 -2.541 -7.221 6.081 1.00 61.42 H new ATOM 0 HG2 MET A 36 -2.428 -9.687 5.777 1.00 64.43 H new ATOM 0 HG3 MET A 36 -2.764 -9.491 4.068 1.00 64.43 H new ATOM 0 HE1 MET A 36 0.413 -7.526 2.819 1.00 53.53 H new ATOM 0 HE2 MET A 36 -0.793 -8.696 2.232 1.00 53.53 H new ATOM 0 HE3 MET A 36 -1.323 -7.192 3.022 1.00 53.53 H new ATOM 595 N VAL A 37 -5.477 -5.625 5.261 1.00 40.40 N ATOM 596 CA VAL A 37 -6.153 -4.398 5.699 1.00 11.42 C ATOM 597 C VAL A 37 -7.630 -4.430 5.278 1.00 45.10 C ATOM 598 O VAL A 37 -7.947 -4.298 4.099 1.00 0.42 O ATOM 599 CB VAL A 37 -5.475 -3.134 5.113 1.00 34.43 C ATOM 600 CG1 VAL A 37 -6.087 -1.865 5.705 1.00 13.43 C ATOM 601 CG2 VAL A 37 -3.963 -3.168 5.342 1.00 14.13 C ATOM 0 H VAL A 37 -5.331 -5.682 4.253 1.00 40.40 H new ATOM 0 HA VAL A 37 -6.081 -4.351 6.786 1.00 11.42 H new ATOM 0 HB VAL A 37 -5.652 -3.125 4.037 1.00 34.43 H new ATOM 0 HG11 VAL A 37 -5.595 -0.991 5.279 1.00 13.43 H new ATOM 0 HG12 VAL A 37 -7.151 -1.832 5.473 1.00 13.43 H new ATOM 0 HG13 VAL A 37 -5.952 -1.866 6.787 1.00 13.43 H new ATOM 0 HG21 VAL A 37 -3.511 -2.270 4.921 1.00 14.13 H new ATOM 0 HG22 VAL A 37 -3.758 -3.211 6.412 1.00 14.13 H new ATOM 0 HG23 VAL A 37 -3.541 -4.048 4.856 1.00 14.13 H new ATOM 611 N ASN A 38 -8.524 -4.589 6.255 1.00 13.22 N ATOM 612 CA ASN A 38 -9.949 -4.871 5.994 1.00 5.35 C ATOM 613 C ASN A 38 -10.751 -3.643 5.513 1.00 51.22 C ATOM 614 O ASN A 38 -11.890 -3.431 5.939 1.00 4.12 O ATOM 615 CB ASN A 38 -10.603 -5.434 7.261 1.00 65.41 C ATOM 616 CG ASN A 38 -9.939 -6.706 7.756 1.00 40.11 C ATOM 617 OD1 ASN A 38 -8.726 -6.872 7.668 1.00 11.12 O ATOM 618 ND2 ASN A 38 -10.728 -7.620 8.279 1.00 21.13 N ATOM 0 H ASN A 38 -8.290 -4.528 7.246 1.00 13.22 H new ATOM 0 HA ASN A 38 -9.972 -5.598 5.182 1.00 5.35 H new ATOM 0 HB2 ASN A 38 -10.565 -4.681 8.048 1.00 65.41 H new ATOM 0 HB3 ASN A 38 -11.656 -5.634 7.062 1.00 65.41 H new ATOM 0 HD21 ASN A 38 -10.335 -8.495 8.625 1.00 21.13 H new ATOM 0 HD22 ASN A 38 -11.732 -7.453 8.338 1.00 21.13 H new ATOM 625 N ILE A 39 -10.181 -2.862 4.605 1.00 51.40 N ATOM 626 CA ILE A 39 -10.890 -1.727 4.005 1.00 0.03 C ATOM 627 C ILE A 39 -11.305 -2.048 2.560 1.00 75.14 C ATOM 628 O ILE A 39 -10.479 -2.443 1.726 1.00 32.24 O ATOM 629 CB ILE A 39 -10.035 -0.431 4.047 1.00 2.14 C ATOM 630 CG1 ILE A 39 -8.679 -0.642 3.353 1.00 62.12 C ATOM 631 CG2 ILE A 39 -9.839 0.033 5.487 1.00 32.53 C ATOM 632 CD1 ILE A 39 -7.749 0.552 3.430 1.00 62.21 C ATOM 0 H ILE A 39 -9.228 -2.990 4.264 1.00 51.40 H new ATOM 0 HA ILE A 39 -11.788 -1.553 4.597 1.00 0.03 H new ATOM 0 HB ILE A 39 -10.571 0.347 3.504 1.00 2.14 H new ATOM 0 HG12 ILE A 39 -8.184 -1.503 3.802 1.00 62.12 H new ATOM 0 HG13 ILE A 39 -8.854 -0.885 2.305 1.00 62.12 H new ATOM 0 HG21 ILE A 39 -9.238 0.942 5.498 1.00 32.53 H new ATOM 0 HG22 ILE A 39 -10.810 0.235 5.940 1.00 32.53 H new ATOM 0 HG23 ILE A 39 -9.329 -0.746 6.054 1.00 32.53 H new ATOM 0 HD11 ILE A 39 -6.816 0.320 2.917 1.00 62.21 H new ATOM 0 HD12 ILE A 39 -8.221 1.412 2.954 1.00 62.21 H new ATOM 0 HD13 ILE A 39 -7.541 0.784 4.474 1.00 62.21 H new ATOM 644 N ASN A 40 -12.594 -1.882 2.274 1.00 13.23 N ATOM 645 CA ASN A 40 -13.165 -2.239 0.968 1.00 50.11 C ATOM 646 C ASN A 40 -12.632 -1.337 -0.164 1.00 22.32 C ATOM 647 O ASN A 40 -12.746 -1.678 -1.341 1.00 43.24 O ATOM 648 CB ASN A 40 -14.699 -2.149 1.026 1.00 33.22 C ATOM 649 CG ASN A 40 -15.376 -2.705 -0.219 1.00 55.12 C ATOM 650 OD1 ASN A 40 -14.880 -3.817 -0.727 1.00 5.40 O flip ATOM 651 ND2 ASN A 40 -16.362 -2.156 -0.699 1.00 73.24 N flip ATOM 0 H ASN A 40 -13.272 -1.499 2.933 1.00 13.23 H new ATOM 0 HA ASN A 40 -12.861 -3.262 0.746 1.00 50.11 H new ATOM 0 HB2 ASN A 40 -15.056 -2.693 1.900 1.00 33.22 H new ATOM 0 HB3 ASN A 40 -14.991 -1.107 1.157 1.00 33.22 H new ATOM 0 HD21 ASN A 40 -16.721 -1.297 -0.282 1.00 73.24 H new ATOM 0 HD22 ASN A 40 -16.823 -2.559 -1.515 1.00 73.24 H new ATOM 658 N CYS A 41 -12.049 -0.191 0.198 1.00 4.21 N ATOM 659 CA CYS A 41 -11.524 0.774 -0.789 1.00 42.13 C ATOM 660 C CYS A 41 -10.475 0.152 -1.729 1.00 21.14 C ATOM 661 O CYS A 41 -10.280 0.630 -2.845 1.00 2.13 O ATOM 662 CB CYS A 41 -10.907 1.982 -0.076 1.00 23.21 C ATOM 663 SG CYS A 41 -9.478 1.576 0.954 1.00 32.32 S ATOM 0 H CYS A 41 -11.925 0.097 1.169 1.00 4.21 H new ATOM 0 HA CYS A 41 -12.372 1.087 -1.398 1.00 42.13 H new ATOM 0 HB2 CYS A 41 -10.607 2.717 -0.822 1.00 23.21 H new ATOM 0 HB3 CYS A 41 -11.669 2.452 0.546 1.00 23.21 H new ATOM 0 HG CYS A 41 -9.053 2.651 1.550 1.00 32.32 H new ATOM 669 N PHE A 42 -9.784 -0.896 -1.273 1.00 64.34 N ATOM 670 CA PHE A 42 -8.809 -1.606 -2.124 1.00 22.41 C ATOM 671 C PHE A 42 -9.503 -2.601 -3.074 1.00 74.51 C ATOM 672 O PHE A 42 -8.938 -3.009 -4.088 1.00 50.53 O ATOM 673 CB PHE A 42 -7.776 -2.358 -1.267 1.00 25.41 C ATOM 674 CG PHE A 42 -6.829 -1.476 -0.486 1.00 51.44 C ATOM 675 CD1 PHE A 42 -6.584 -0.164 -0.872 1.00 23.31 C ATOM 676 CD2 PHE A 42 -6.180 -1.968 0.639 1.00 44.23 C ATOM 677 CE1 PHE A 42 -5.714 0.633 -0.155 1.00 51.42 C ATOM 678 CE2 PHE A 42 -5.308 -1.174 1.358 1.00 73.53 C ATOM 679 CZ PHE A 42 -5.074 0.129 0.961 1.00 31.24 C ATOM 0 H PHE A 42 -9.876 -1.273 -0.330 1.00 64.34 H new ATOM 0 HA PHE A 42 -8.301 -0.850 -2.722 1.00 22.41 H new ATOM 0 HB2 PHE A 42 -8.308 -3.003 -0.568 1.00 25.41 H new ATOM 0 HB3 PHE A 42 -7.190 -3.007 -1.918 1.00 25.41 H new ATOM 0 HD1 PHE A 42 -7.080 0.237 -1.743 1.00 23.31 H new ATOM 0 HD2 PHE A 42 -6.360 -2.985 0.956 1.00 44.23 H new ATOM 0 HE1 PHE A 42 -5.534 1.651 -0.467 1.00 51.42 H new ATOM 0 HE2 PHE A 42 -4.809 -1.571 2.230 1.00 73.53 H new ATOM 0 HZ PHE A 42 -4.393 0.752 1.522 1.00 31.24 H new ATOM 689 N LYS A 43 -10.728 -2.996 -2.729 1.00 34.42 N ATOM 690 CA LYS A 43 -11.500 -3.954 -3.531 1.00 10.41 C ATOM 691 C LYS A 43 -12.362 -3.237 -4.586 1.00 4.22 C ATOM 692 O LYS A 43 -12.354 -3.600 -5.765 1.00 21.50 O ATOM 693 CB LYS A 43 -12.394 -4.800 -2.613 1.00 5.22 C ATOM 694 CG LYS A 43 -11.635 -5.592 -1.549 1.00 71.24 C ATOM 695 CD LYS A 43 -10.790 -6.711 -2.153 1.00 22.44 C ATOM 696 CE LYS A 43 -11.653 -7.798 -2.792 1.00 13.55 C ATOM 697 NZ LYS A 43 -10.839 -8.952 -3.255 1.00 24.11 N ATOM 0 H LYS A 43 -11.213 -2.667 -1.894 1.00 34.42 H new ATOM 0 HA LYS A 43 -10.796 -4.601 -4.055 1.00 10.41 H new ATOM 0 HB2 LYS A 43 -13.110 -4.144 -2.118 1.00 5.22 H new ATOM 0 HB3 LYS A 43 -12.968 -5.495 -3.225 1.00 5.22 H new ATOM 0 HG2 LYS A 43 -10.991 -4.916 -0.987 1.00 71.24 H new ATOM 0 HG3 LYS A 43 -12.345 -6.018 -0.841 1.00 71.24 H new ATOM 0 HD2 LYS A 43 -10.118 -6.294 -2.903 1.00 22.44 H new ATOM 0 HD3 LYS A 43 -10.166 -7.153 -1.377 1.00 22.44 H new ATOM 0 HE2 LYS A 43 -12.395 -8.143 -2.071 1.00 13.55 H new ATOM 0 HE3 LYS A 43 -12.200 -7.378 -3.636 1.00 13.55 H new ATOM 0 HZ1 LYS A 43 -11.468 -9.740 -3.509 1.00 24.11 H new ATOM 0 HZ2 LYS A 43 -10.281 -8.672 -4.087 1.00 24.11 H new ATOM 0 HZ3 LYS A 43 -10.198 -9.252 -2.493 1.00 24.11 H new ATOM 711 N LYS A 44 -13.110 -2.222 -4.153 1.00 31.53 N ATOM 712 CA LYS A 44 -13.974 -1.450 -5.052 1.00 12.45 C ATOM 713 C LYS A 44 -13.181 -0.320 -5.733 1.00 31.14 C ATOM 714 O LYS A 44 -12.743 0.626 -5.074 1.00 32.25 O ATOM 715 CB LYS A 44 -15.174 -0.882 -4.271 1.00 74.55 C ATOM 716 CG LYS A 44 -16.166 -0.093 -5.123 1.00 65.24 C ATOM 717 CD LYS A 44 -16.810 -0.970 -6.191 1.00 62.24 C ATOM 718 CE LYS A 44 -17.696 -2.065 -5.598 1.00 44.02 C ATOM 719 NZ LYS A 44 -18.868 -1.513 -4.868 1.00 1.11 N ATOM 0 H LYS A 44 -13.136 -1.913 -3.181 1.00 31.53 H new ATOM 0 HA LYS A 44 -14.348 -2.113 -5.832 1.00 12.45 H new ATOM 0 HB2 LYS A 44 -15.702 -1.706 -3.790 1.00 74.55 H new ATOM 0 HB3 LYS A 44 -14.801 -0.235 -3.477 1.00 74.55 H new ATOM 0 HG2 LYS A 44 -16.940 0.330 -4.483 1.00 65.24 H new ATOM 0 HG3 LYS A 44 -15.654 0.743 -5.598 1.00 65.24 H new ATOM 0 HD2 LYS A 44 -17.407 -0.346 -6.857 1.00 62.24 H new ATOM 0 HD3 LYS A 44 -16.030 -1.429 -6.798 1.00 62.24 H new ATOM 0 HE2 LYS A 44 -18.044 -2.719 -6.397 1.00 44.02 H new ATOM 0 HE3 LYS A 44 -17.105 -2.679 -4.919 1.00 44.02 H new ATOM 0 HZ1 LYS A 44 -19.524 -2.284 -4.632 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -18.546 -1.052 -3.993 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 -19.354 -0.816 -5.468 1.00 1.11 H new ATOM 733 N ASP A 45 -13.010 -0.434 -7.053 1.00 62.11 N ATOM 734 CA ASP A 45 -12.164 0.484 -7.832 1.00 30.11 C ATOM 735 C ASP A 45 -10.698 0.457 -7.347 1.00 61.35 C ATOM 736 O ASP A 45 -10.226 1.383 -6.681 1.00 44.31 O ATOM 737 CB ASP A 45 -12.739 1.913 -7.815 1.00 44.14 C ATOM 738 CG ASP A 45 -11.893 2.892 -8.613 1.00 20.12 C ATOM 739 OD1 ASP A 45 -11.578 2.596 -9.784 1.00 54.02 O ATOM 740 OD2 ASP A 45 -11.540 3.968 -8.081 1.00 25.15 O ATOM 0 H ASP A 45 -13.452 -1.163 -7.614 1.00 62.11 H new ATOM 0 HA ASP A 45 -12.165 0.138 -8.866 1.00 30.11 H new ATOM 0 HB2 ASP A 45 -13.751 1.899 -8.220 1.00 44.14 H new ATOM 0 HB3 ASP A 45 -12.813 2.259 -6.784 1.00 44.14 H new ATOM 745 N PRO A 46 -9.958 -0.627 -7.668 1.00 33.32 N ATOM 746 CA PRO A 46 -8.546 -0.782 -7.280 1.00 0.22 C ATOM 747 C PRO A 46 -7.594 0.116 -8.098 1.00 23.33 C ATOM 748 O PRO A 46 -6.685 -0.369 -8.776 1.00 35.21 O ATOM 749 CB PRO A 46 -8.257 -2.280 -7.547 1.00 13.13 C ATOM 750 CG PRO A 46 -9.587 -2.903 -7.842 1.00 54.43 C ATOM 751 CD PRO A 46 -10.437 -1.801 -8.409 1.00 24.13 C ATOM 0 HA PRO A 46 -8.379 -0.482 -6.245 1.00 0.22 H new ATOM 0 HB2 PRO A 46 -7.572 -2.403 -8.386 1.00 13.13 H new ATOM 0 HB3 PRO A 46 -7.788 -2.749 -6.682 1.00 13.13 H new ATOM 0 HG2 PRO A 46 -9.486 -3.724 -8.552 1.00 54.43 H new ATOM 0 HG3 PRO A 46 -10.034 -3.317 -6.938 1.00 54.43 H new ATOM 0 HD2 PRO A 46 -10.295 -1.690 -9.484 1.00 24.13 H new ATOM 0 HD3 PRO A 46 -11.499 -1.981 -8.245 1.00 24.13 H new ATOM 759 N SER A 47 -7.808 1.428 -8.026 1.00 14.32 N ATOM 760 CA SER A 47 -6.962 2.397 -8.734 1.00 10.53 C ATOM 761 C SER A 47 -5.915 3.009 -7.797 1.00 14.44 C ATOM 762 O SER A 47 -6.186 3.252 -6.619 1.00 63.52 O ATOM 763 CB SER A 47 -7.820 3.510 -9.353 1.00 23.33 C ATOM 764 OG SER A 47 -8.702 2.992 -10.337 1.00 12.04 O ATOM 0 H SER A 47 -8.562 1.850 -7.483 1.00 14.32 H new ATOM 0 HA SER A 47 -6.442 1.863 -9.529 1.00 10.53 H new ATOM 0 HB2 SER A 47 -8.395 4.007 -8.571 1.00 23.33 H new ATOM 0 HB3 SER A 47 -7.173 4.264 -9.801 1.00 23.33 H new ATOM 0 HG SER A 47 -9.604 2.918 -9.961 1.00 12.04 H new ATOM 770 N ILE A 48 -4.721 3.264 -8.331 1.00 22.14 N ATOM 771 CA ILE A 48 -3.619 3.821 -7.538 1.00 75.22 C ATOM 772 C ILE A 48 -3.996 5.186 -6.931 1.00 31.20 C ATOM 773 O ILE A 48 -4.017 5.346 -5.714 1.00 11.12 O ATOM 774 CB ILE A 48 -2.330 3.969 -8.393 1.00 55.42 C ATOM 775 CG1 ILE A 48 -1.913 2.611 -8.992 1.00 50.55 C ATOM 776 CG2 ILE A 48 -1.190 4.557 -7.560 1.00 14.53 C ATOM 777 CD1 ILE A 48 -1.565 1.558 -7.957 1.00 73.21 C ATOM 0 H ILE A 48 -4.489 3.095 -9.310 1.00 22.14 H new ATOM 0 HA ILE A 48 -3.425 3.120 -6.726 1.00 75.22 H new ATOM 0 HB ILE A 48 -2.546 4.655 -9.212 1.00 55.42 H new ATOM 0 HG12 ILE A 48 -2.724 2.237 -9.616 1.00 50.55 H new ATOM 0 HG13 ILE A 48 -1.053 2.762 -9.644 1.00 50.55 H new ATOM 0 HG21 ILE A 48 -0.298 4.651 -8.179 1.00 14.53 H new ATOM 0 HG22 ILE A 48 -1.480 5.540 -7.189 1.00 14.53 H new ATOM 0 HG23 ILE A 48 -0.978 3.899 -6.717 1.00 14.53 H new ATOM 0 HD11 ILE A 48 -1.283 0.633 -8.460 1.00 73.21 H new ATOM 0 HD12 ILE A 48 -0.732 1.908 -7.347 1.00 73.21 H new ATOM 0 HD13 ILE A 48 -2.430 1.375 -7.319 1.00 73.21 H new ATOM 789 N LYS A 49 -4.318 6.158 -7.786 1.00 41.02 N ATOM 790 CA LYS A 49 -4.681 7.510 -7.326 1.00 23.35 C ATOM 791 C LYS A 49 -5.856 7.490 -6.331 1.00 41.32 C ATOM 792 O LYS A 49 -5.864 8.237 -5.348 1.00 4.23 O ATOM 793 CB LYS A 49 -5.036 8.405 -8.524 1.00 72.03 C ATOM 794 CG LYS A 49 -3.875 8.647 -9.486 1.00 51.14 C ATOM 795 CD LYS A 49 -4.290 9.523 -10.668 1.00 0.43 C ATOM 796 CE LYS A 49 -3.121 9.800 -11.608 1.00 2.44 C ATOM 797 NZ LYS A 49 -2.036 10.574 -10.945 1.00 0.03 N ATOM 0 H LYS A 49 -4.336 6.040 -8.799 1.00 41.02 H new ATOM 0 HA LYS A 49 -3.812 7.915 -6.808 1.00 23.35 H new ATOM 0 HB2 LYS A 49 -5.860 7.949 -9.073 1.00 72.03 H new ATOM 0 HB3 LYS A 49 -5.393 9.366 -8.153 1.00 72.03 H new ATOM 0 HG2 LYS A 49 -3.053 9.124 -8.951 1.00 51.14 H new ATOM 0 HG3 LYS A 49 -3.503 7.691 -9.855 1.00 51.14 H new ATOM 0 HD2 LYS A 49 -5.091 9.032 -11.220 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -4.690 10.467 -10.298 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -2.719 8.855 -11.973 1.00 2.44 H new ATOM 0 HE3 LYS A 49 -3.479 10.352 -12.477 1.00 2.44 H new ATOM 0 HZ1 LYS A 49 -1.354 10.899 -11.660 1.00 0.03 H new ATOM 0 HZ2 LYS A 49 -2.445 11.397 -10.458 1.00 0.03 H new ATOM 0 HZ3 LYS A 49 -1.550 9.968 -10.253 1.00 0.03 H new ATOM 811 N SER A 50 -6.851 6.642 -6.596 1.00 34.13 N ATOM 812 CA SER A 50 -8.037 6.521 -5.730 1.00 51.40 C ATOM 813 C SER A 50 -7.655 6.048 -4.320 1.00 64.14 C ATOM 814 O SER A 50 -8.057 6.644 -3.318 1.00 22.54 O ATOM 815 CB SER A 50 -9.047 5.538 -6.345 1.00 64.01 C ATOM 816 OG SER A 50 -9.404 5.921 -7.668 1.00 61.45 O ATOM 0 H SER A 50 -6.864 6.023 -7.407 1.00 34.13 H new ATOM 0 HA SER A 50 -8.490 7.509 -5.651 1.00 51.40 H new ATOM 0 HB2 SER A 50 -8.620 4.535 -6.358 1.00 64.01 H new ATOM 0 HB3 SER A 50 -9.941 5.496 -5.723 1.00 64.01 H new ATOM 0 HG SER A 50 -10.135 5.351 -7.988 1.00 61.45 H new ATOM 822 N SER A 51 -6.867 4.978 -4.248 1.00 41.34 N ATOM 823 CA SER A 51 -6.432 4.424 -2.960 1.00 22.04 C ATOM 824 C SER A 51 -5.465 5.372 -2.234 1.00 10.34 C ATOM 825 O SER A 51 -5.551 5.542 -1.018 1.00 64.54 O ATOM 826 CB SER A 51 -5.777 3.055 -3.159 1.00 24.44 C ATOM 827 OG SER A 51 -4.719 3.126 -4.095 1.00 62.43 O ATOM 0 H SER A 51 -6.515 4.475 -5.063 1.00 41.34 H new ATOM 0 HA SER A 51 -7.319 4.308 -2.337 1.00 22.04 H new ATOM 0 HB2 SER A 51 -5.398 2.688 -2.205 1.00 24.44 H new ATOM 0 HB3 SER A 51 -6.523 2.338 -3.503 1.00 24.44 H new ATOM 0 HG SER A 51 -5.085 3.108 -5.004 1.00 62.43 H new ATOM 833 N LEU A 52 -4.548 5.994 -2.983 1.00 63.04 N ATOM 834 CA LEU A 52 -3.636 7.002 -2.415 1.00 23.50 C ATOM 835 C LEU A 52 -4.416 8.123 -1.711 1.00 41.53 C ATOM 836 O LEU A 52 -4.028 8.587 -0.637 1.00 55.14 O ATOM 837 CB LEU A 52 -2.738 7.608 -3.504 1.00 52.52 C ATOM 838 CG LEU A 52 -1.714 6.649 -4.131 1.00 34.44 C ATOM 839 CD1 LEU A 52 -0.922 7.355 -5.228 1.00 54.35 C ATOM 840 CD2 LEU A 52 -0.777 6.079 -3.068 1.00 40.33 C ATOM 0 H LEU A 52 -4.415 5.821 -3.979 1.00 63.04 H new ATOM 0 HA LEU A 52 -3.010 6.494 -1.681 1.00 23.50 H new ATOM 0 HB2 LEU A 52 -3.374 8.001 -4.297 1.00 52.52 H new ATOM 0 HB3 LEU A 52 -2.201 8.455 -3.077 1.00 52.52 H new ATOM 0 HG LEU A 52 -2.257 5.817 -4.580 1.00 34.44 H new ATOM 0 HD11 LEU A 52 -0.202 6.661 -5.661 1.00 54.35 H new ATOM 0 HD12 LEU A 52 -1.604 7.701 -6.004 1.00 54.35 H new ATOM 0 HD13 LEU A 52 -0.393 8.208 -4.803 1.00 54.35 H new ATOM 0 HD21 LEU A 52 -0.062 5.403 -3.538 1.00 40.33 H new ATOM 0 HD22 LEU A 52 -0.241 6.894 -2.581 1.00 40.33 H new ATOM 0 HD23 LEU A 52 -1.359 5.533 -2.325 1.00 40.33 H new ATOM 852 N LYS A 53 -5.516 8.557 -2.329 1.00 35.11 N ATOM 853 CA LYS A 53 -6.394 9.565 -1.729 1.00 51.12 C ATOM 854 C LYS A 53 -6.898 9.102 -0.354 1.00 41.20 C ATOM 855 O LYS A 53 -6.942 9.879 0.605 1.00 74.23 O ATOM 856 CB LYS A 53 -7.578 9.852 -2.662 1.00 41.05 C ATOM 857 CG LYS A 53 -8.541 10.907 -2.129 1.00 11.32 C ATOM 858 CD LYS A 53 -9.677 11.187 -3.109 1.00 14.51 C ATOM 859 CE LYS A 53 -10.603 12.285 -2.596 1.00 71.22 C ATOM 860 NZ LYS A 53 -9.864 13.544 -2.315 1.00 23.40 N ATOM 0 H LYS A 53 -5.821 8.227 -3.245 1.00 35.11 H new ATOM 0 HA LYS A 53 -5.822 10.482 -1.589 1.00 51.12 H new ATOM 0 HB2 LYS A 53 -7.195 10.178 -3.629 1.00 41.05 H new ATOM 0 HB3 LYS A 53 -8.127 8.926 -2.832 1.00 41.05 H new ATOM 0 HG2 LYS A 53 -8.956 10.573 -1.178 1.00 11.32 H new ATOM 0 HG3 LYS A 53 -7.996 11.830 -1.932 1.00 11.32 H new ATOM 0 HD2 LYS A 53 -9.262 11.481 -4.073 1.00 14.51 H new ATOM 0 HD3 LYS A 53 -10.250 10.274 -3.273 1.00 14.51 H new ATOM 0 HE2 LYS A 53 -11.382 12.478 -3.334 1.00 71.22 H new ATOM 0 HE3 LYS A 53 -11.101 11.946 -1.688 1.00 71.22 H new ATOM 0 HZ1 LYS A 53 -10.538 14.331 -2.233 1.00 23.40 H new ATOM 0 HZ2 LYS A 53 -9.337 13.446 -1.424 1.00 23.40 H new ATOM 0 HZ3 LYS A 53 -9.199 13.737 -3.091 1.00 23.40 H new ATOM 874 N PHE A 54 -7.261 7.826 -0.261 1.00 13.10 N ATOM 875 CA PHE A 54 -7.692 7.232 1.005 1.00 62.53 C ATOM 876 C PHE A 54 -6.536 7.217 2.023 1.00 72.42 C ATOM 877 O PHE A 54 -6.727 7.504 3.208 1.00 62.11 O ATOM 878 CB PHE A 54 -8.215 5.806 0.769 1.00 12.15 C ATOM 879 CG PHE A 54 -8.841 5.180 1.993 1.00 63.22 C ATOM 880 CD1 PHE A 54 -10.188 5.369 2.271 1.00 21.44 C ATOM 881 CD2 PHE A 54 -8.086 4.404 2.867 1.00 2.13 C ATOM 882 CE1 PHE A 54 -10.765 4.804 3.390 1.00 54.23 C ATOM 883 CE2 PHE A 54 -8.662 3.840 3.988 1.00 45.23 C ATOM 884 CZ PHE A 54 -10.001 4.036 4.250 1.00 31.23 C ATOM 0 H PHE A 54 -7.266 7.179 -1.050 1.00 13.10 H new ATOM 0 HA PHE A 54 -8.498 7.840 1.414 1.00 62.53 H new ATOM 0 HB2 PHE A 54 -8.951 5.827 -0.035 1.00 12.15 H new ATOM 0 HB3 PHE A 54 -7.391 5.177 0.431 1.00 12.15 H new ATOM 0 HD1 PHE A 54 -10.792 5.966 1.603 1.00 21.44 H new ATOM 0 HD2 PHE A 54 -7.037 4.241 2.666 1.00 2.13 H new ATOM 0 HE1 PHE A 54 -11.814 4.962 3.594 1.00 54.23 H new ATOM 0 HE2 PHE A 54 -8.063 3.244 4.661 1.00 45.23 H new ATOM 0 HZ PHE A 54 -10.452 3.591 5.124 1.00 31.23 H new ATOM 894 N LEU A 55 -5.333 6.903 1.546 1.00 4.40 N ATOM 895 CA LEU A 55 -4.136 6.881 2.400 1.00 40.15 C ATOM 896 C LEU A 55 -3.742 8.300 2.858 1.00 33.41 C ATOM 897 O LEU A 55 -2.937 8.468 3.773 1.00 35.35 O ATOM 898 CB LEU A 55 -2.964 6.226 1.653 1.00 33.02 C ATOM 899 CG LEU A 55 -3.217 4.794 1.148 1.00 55.52 C ATOM 900 CD1 LEU A 55 -1.980 4.244 0.434 1.00 75.04 C ATOM 901 CD2 LEU A 55 -3.633 3.879 2.300 1.00 73.11 C ATOM 0 H LEU A 55 -5.156 6.659 0.572 1.00 4.40 H new ATOM 0 HA LEU A 55 -4.372 6.294 3.288 1.00 40.15 H new ATOM 0 HB2 LEU A 55 -2.704 6.853 0.800 1.00 33.02 H new ATOM 0 HB3 LEU A 55 -2.097 6.212 2.314 1.00 33.02 H new ATOM 0 HG LEU A 55 -4.036 4.826 0.429 1.00 55.52 H new ATOM 0 HD11 LEU A 55 -2.181 3.231 0.086 1.00 75.04 H new ATOM 0 HD12 LEU A 55 -1.739 4.880 -0.418 1.00 75.04 H new ATOM 0 HD13 LEU A 55 -1.137 4.229 1.125 1.00 75.04 H new ATOM 0 HD21 LEU A 55 -3.807 2.872 1.920 1.00 73.11 H new ATOM 0 HD22 LEU A 55 -2.841 3.853 3.048 1.00 73.11 H new ATOM 0 HD23 LEU A 55 -4.548 4.259 2.754 1.00 73.11 H new ATOM 913 N ARG A 56 -4.295 9.319 2.197 1.00 44.45 N ATOM 914 CA ARG A 56 -4.086 10.718 2.600 1.00 3.51 C ATOM 915 C ARG A 56 -4.998 11.110 3.769 1.00 34.03 C ATOM 916 O ARG A 56 -4.544 11.694 4.753 1.00 3.13 O ATOM 917 CB ARG A 56 -4.330 11.661 1.412 1.00 23.41 C ATOM 918 CG ARG A 56 -3.285 11.543 0.311 1.00 61.12 C ATOM 919 CD ARG A 56 -3.637 12.395 -0.906 1.00 51.45 C ATOM 920 NE ARG A 56 -3.846 13.803 -0.564 1.00 35.24 N ATOM 921 CZ ARG A 56 -3.811 14.784 -1.430 1.00 53.21 C ATOM 922 NH1 ARG A 56 -3.535 14.553 -2.674 1.00 44.25 N ATOM 923 NH2 ARG A 56 -4.043 15.997 -1.041 1.00 3.31 N ATOM 0 H ARG A 56 -4.893 9.205 1.378 1.00 44.45 H new ATOM 0 HA ARG A 56 -3.051 10.812 2.929 1.00 3.51 H new ATOM 0 HB2 ARG A 56 -5.314 11.453 0.991 1.00 23.41 H new ATOM 0 HB3 ARG A 56 -4.349 12.689 1.774 1.00 23.41 H new ATOM 0 HG2 ARG A 56 -2.314 11.849 0.699 1.00 61.12 H new ATOM 0 HG3 ARG A 56 -3.193 10.500 0.009 1.00 61.12 H new ATOM 0 HD2 ARG A 56 -2.837 12.318 -1.643 1.00 51.45 H new ATOM 0 HD3 ARG A 56 -4.539 12.000 -1.373 1.00 51.45 H new ATOM 0 HE ARG A 56 -4.031 14.035 0.412 1.00 35.24 H new ATOM 0 HH11 ARG A 56 -3.343 13.601 -2.985 1.00 44.25 H new ATOM 0 HH12 ARG A 56 -3.510 15.323 -3.342 1.00 44.25 H new ATOM 0 HH21 ARG A 56 -4.253 16.187 -0.061 1.00 3.31 H new ATOM 0 HH22 ARG A 56 -4.016 16.763 -1.715 1.00 3.31 H new ATOM 937 N LYS A 57 -6.286 10.792 3.648 1.00 51.12 N ATOM 938 CA LYS A 57 -7.267 11.114 4.696 1.00 73.40 C ATOM 939 C LYS A 57 -7.067 10.263 5.962 1.00 73.45 C ATOM 940 O LYS A 57 -7.446 10.678 7.060 1.00 55.01 O ATOM 941 CB LYS A 57 -8.700 10.939 4.160 1.00 62.20 C ATOM 942 CG LYS A 57 -8.965 9.573 3.535 1.00 3.12 C ATOM 943 CD LYS A 57 -10.390 9.434 2.990 1.00 62.51 C ATOM 944 CE LYS A 57 -11.392 9.012 4.065 1.00 4.45 C ATOM 945 NZ LYS A 57 -11.566 10.034 5.133 1.00 11.35 N ATOM 0 H LYS A 57 -6.679 10.312 2.838 1.00 51.12 H new ATOM 0 HA LYS A 57 -7.110 12.156 4.975 1.00 73.40 H new ATOM 0 HB2 LYS A 57 -9.404 11.096 4.977 1.00 62.20 H new ATOM 0 HB3 LYS A 57 -8.896 11.712 3.417 1.00 62.20 H new ATOM 0 HG2 LYS A 57 -8.254 9.405 2.726 1.00 3.12 H new ATOM 0 HG3 LYS A 57 -8.789 8.797 4.280 1.00 3.12 H new ATOM 0 HD2 LYS A 57 -10.704 10.384 2.559 1.00 62.51 H new ATOM 0 HD3 LYS A 57 -10.397 8.700 2.184 1.00 62.51 H new ATOM 0 HE2 LYS A 57 -12.357 8.816 3.597 1.00 4.45 H new ATOM 0 HE3 LYS A 57 -11.060 8.077 4.516 1.00 4.45 H new ATOM 0 HZ1 LYS A 57 -12.508 9.932 5.561 1.00 11.35 H new ATOM 0 HZ2 LYS A 57 -10.838 9.900 5.863 1.00 11.35 H new ATOM 0 HZ3 LYS A 57 -11.474 10.985 4.722 1.00 11.35 H new ATOM 959 N THR A 58 -6.480 9.077 5.814 1.00 43.11 N ATOM 960 CA THR A 58 -6.275 8.169 6.953 1.00 23.53 C ATOM 961 C THR A 58 -4.790 7.974 7.283 1.00 25.02 C ATOM 962 O THR A 58 -3.957 7.818 6.392 1.00 63.54 O ATOM 963 CB THR A 58 -6.886 6.770 6.693 1.00 32.21 C ATOM 964 OG1 THR A 58 -6.260 6.160 5.556 1.00 54.34 O ATOM 965 CG2 THR A 58 -8.387 6.856 6.462 1.00 22.33 C ATOM 0 H THR A 58 -6.137 8.719 4.923 1.00 43.11 H new ATOM 0 HA THR A 58 -6.777 8.647 7.794 1.00 23.53 H new ATOM 0 HB THR A 58 -6.708 6.160 7.579 1.00 32.21 H new ATOM 0 HG1 THR A 58 -6.450 6.691 4.754 1.00 54.34 H new ATOM 0 HG21 THR A 58 -8.785 5.857 6.282 1.00 22.33 H new ATOM 0 HG22 THR A 58 -8.867 7.285 7.342 1.00 22.33 H new ATOM 0 HG23 THR A 58 -8.586 7.487 5.596 1.00 22.33 H new ATOM 973 N ASP A 59 -4.471 7.980 8.571 1.00 24.14 N ATOM 974 CA ASP A 59 -3.127 7.643 9.035 1.00 15.10 C ATOM 975 C ASP A 59 -2.998 6.129 9.261 1.00 4.22 C ATOM 976 O ASP A 59 -2.047 5.502 8.800 1.00 14.22 O ATOM 977 CB ASP A 59 -2.808 8.384 10.334 1.00 14.54 C ATOM 978 CG ASP A 59 -2.805 9.892 10.159 1.00 51.35 C ATOM 979 OD1 ASP A 59 -1.767 10.442 9.735 1.00 53.31 O ATOM 980 OD2 ASP A 59 -3.832 10.538 10.453 1.00 0.14 O ATOM 0 H ASP A 59 -5.126 8.215 9.317 1.00 24.14 H new ATOM 0 HA ASP A 59 -2.417 7.949 8.266 1.00 15.10 H new ATOM 0 HB2 ASP A 59 -3.541 8.111 11.093 1.00 14.54 H new ATOM 0 HB3 ASP A 59 -1.834 8.062 10.702 1.00 14.54 H new ATOM 985 N TRP A 60 -3.978 5.553 9.958 1.00 63.43 N ATOM 986 CA TRP A 60 -3.937 4.133 10.341 1.00 13.34 C ATOM 987 C TRP A 60 -3.846 3.203 9.118 1.00 42.31 C ATOM 988 O TRP A 60 -3.070 2.242 9.113 1.00 45.31 O ATOM 989 CB TRP A 60 -5.163 3.766 11.195 1.00 5.15 C ATOM 990 CG TRP A 60 -6.468 3.768 10.447 1.00 52.40 C ATOM 991 CD1 TRP A 60 -7.208 4.857 10.080 1.00 1.13 C ATOM 992 CD2 TRP A 60 -7.191 2.618 9.985 1.00 25.14 C ATOM 993 NE1 TRP A 60 -8.339 4.455 9.417 1.00 42.11 N ATOM 994 CE2 TRP A 60 -8.352 3.087 9.346 1.00 4.42 C ATOM 995 CE3 TRP A 60 -6.964 1.238 10.049 1.00 31.21 C ATOM 996 CZ2 TRP A 60 -9.286 2.226 8.775 1.00 41.50 C ATOM 997 CZ3 TRP A 60 -7.891 0.385 9.481 1.00 51.41 C ATOM 998 CH2 TRP A 60 -9.039 0.880 8.853 1.00 43.13 C ATOM 0 H TRP A 60 -4.814 6.046 10.272 1.00 63.43 H new ATOM 0 HA TRP A 60 -3.032 3.988 10.932 1.00 13.34 H new ATOM 0 HB2 TRP A 60 -5.007 2.777 11.625 1.00 5.15 H new ATOM 0 HB3 TRP A 60 -5.234 4.468 12.026 1.00 5.15 H new ATOM 0 HD1 TRP A 60 -6.941 5.884 10.283 1.00 1.13 H new ATOM 0 HE1 TRP A 60 -9.055 5.075 9.038 1.00 42.11 H new ATOM 0 HE3 TRP A 60 -6.081 0.847 10.533 1.00 31.21 H new ATOM 0 HZ2 TRP A 60 -10.173 2.605 8.288 1.00 41.50 H new ATOM 0 HZ3 TRP A 60 -7.727 -0.682 9.523 1.00 51.41 H new ATOM 0 HH2 TRP A 60 -9.745 0.187 8.421 1.00 43.13 H new ATOM 1009 N ALA A 61 -4.641 3.487 8.085 1.00 3.52 N ATOM 1010 CA ALA A 61 -4.631 2.680 6.864 1.00 32.14 C ATOM 1011 C ALA A 61 -3.273 2.762 6.153 1.00 55.10 C ATOM 1012 O ALA A 61 -2.683 1.739 5.800 1.00 44.21 O ATOM 1013 CB ALA A 61 -5.755 3.113 5.932 1.00 10.21 C ATOM 0 H ALA A 61 -5.298 4.267 8.069 1.00 3.52 H new ATOM 0 HA ALA A 61 -4.795 1.640 7.146 1.00 32.14 H new ATOM 0 HB1 ALA A 61 -5.734 2.503 5.029 1.00 10.21 H new ATOM 0 HB2 ALA A 61 -6.714 2.985 6.434 1.00 10.21 H new ATOM 0 HB3 ALA A 61 -5.623 4.162 5.665 1.00 10.21 H new ATOM 1019 N ARG A 62 -2.776 3.985 5.955 1.00 44.52 N ATOM 1020 CA ARG A 62 -1.469 4.190 5.323 1.00 34.12 C ATOM 1021 C ARG A 62 -0.348 3.483 6.101 1.00 40.23 C ATOM 1022 O ARG A 62 0.499 2.813 5.510 1.00 2.32 O ATOM 1023 CB ARG A 62 -1.144 5.685 5.207 1.00 61.21 C ATOM 1024 CG ARG A 62 0.252 5.939 4.647 1.00 31.42 C ATOM 1025 CD ARG A 62 0.603 7.420 4.566 1.00 10.12 C ATOM 1026 NE ARG A 62 2.005 7.599 4.204 1.00 31.20 N ATOM 1027 CZ ARG A 62 2.489 8.625 3.564 1.00 20.45 C ATOM 1028 NH1 ARG A 62 1.732 9.621 3.233 1.00 75.32 N ATOM 1029 NH2 ARG A 62 3.745 8.648 3.270 1.00 73.11 N ATOM 0 H ARG A 62 -3.255 4.845 6.221 1.00 44.52 H new ATOM 0 HA ARG A 62 -1.527 3.756 4.325 1.00 34.12 H new ATOM 0 HB2 ARG A 62 -1.882 6.165 4.565 1.00 61.21 H new ATOM 0 HB3 ARG A 62 -1.227 6.149 6.190 1.00 61.21 H new ATOM 0 HG2 ARG A 62 0.986 5.431 5.273 1.00 31.42 H new ATOM 0 HG3 ARG A 62 0.323 5.500 3.652 1.00 31.42 H new ATOM 0 HD2 ARG A 62 -0.033 7.910 3.829 1.00 10.12 H new ATOM 0 HD3 ARG A 62 0.406 7.898 5.525 1.00 10.12 H new ATOM 0 HE ARG A 62 2.657 6.863 4.473 1.00 31.20 H new ATOM 0 HH11 ARG A 62 0.741 9.610 3.473 1.00 75.32 H new ATOM 0 HH12 ARG A 62 2.127 10.417 2.732 1.00 75.32 H new ATOM 0 HH21 ARG A 62 4.346 7.869 3.538 1.00 73.11 H new ATOM 0 HH22 ARG A 62 4.137 9.445 2.769 1.00 73.11 H new ATOM 1043 N GLU A 63 -0.353 3.644 7.426 1.00 73.42 N ATOM 1044 CA GLU A 63 0.634 2.998 8.304 1.00 3.22 C ATOM 1045 C GLU A 63 0.806 1.512 7.977 1.00 0.12 C ATOM 1046 O GLU A 63 1.913 1.047 7.699 1.00 11.34 O ATOM 1047 CB GLU A 63 0.207 3.142 9.772 1.00 73.44 C ATOM 1048 CG GLU A 63 0.417 4.534 10.349 1.00 34.43 C ATOM 1049 CD GLU A 63 1.885 4.902 10.455 1.00 22.44 C ATOM 1050 OE1 GLU A 63 2.572 4.349 11.340 1.00 52.34 O ATOM 1051 OE2 GLU A 63 2.359 5.737 9.655 1.00 53.42 O ATOM 0 H GLU A 63 -1.034 4.220 7.921 1.00 73.42 H new ATOM 0 HA GLU A 63 1.589 3.497 8.138 1.00 3.22 H new ATOM 0 HB2 GLU A 63 -0.847 2.880 9.859 1.00 73.44 H new ATOM 0 HB3 GLU A 63 0.765 2.424 10.373 1.00 73.44 H new ATOM 0 HG2 GLU A 63 -0.093 5.265 9.722 1.00 34.43 H new ATOM 0 HG3 GLU A 63 -0.040 4.587 11.337 1.00 34.43 H new ATOM 1058 N ARG A 64 -0.295 0.773 8.012 1.00 33.34 N ATOM 1059 CA ARG A 64 -0.267 -0.665 7.746 1.00 70.12 C ATOM 1060 C ARG A 64 0.259 -0.959 6.332 1.00 43.45 C ATOM 1061 O ARG A 64 1.042 -1.887 6.139 1.00 32.24 O ATOM 1062 CB ARG A 64 -1.668 -1.256 7.961 1.00 44.44 C ATOM 1063 CG ARG A 64 -2.200 -0.998 9.371 1.00 45.40 C ATOM 1064 CD ARG A 64 -3.610 -1.538 9.586 1.00 4.40 C ATOM 1065 NE ARG A 64 -4.100 -1.227 10.931 1.00 43.54 N ATOM 1066 CZ ARG A 64 -5.226 -1.660 11.432 1.00 55.14 C ATOM 1067 NH1 ARG A 64 -5.993 -2.458 10.759 1.00 1.44 N ATOM 1068 NH2 ARG A 64 -5.577 -1.310 12.626 1.00 10.11 N ATOM 0 H ARG A 64 -1.222 1.144 8.222 1.00 33.34 H new ATOM 0 HA ARG A 64 0.421 -1.140 8.445 1.00 70.12 H new ATOM 0 HB2 ARG A 64 -2.356 -0.827 7.232 1.00 44.44 H new ATOM 0 HB3 ARG A 64 -1.638 -2.330 7.778 1.00 44.44 H new ATOM 0 HG2 ARG A 64 -1.527 -1.456 10.096 1.00 45.40 H new ATOM 0 HG3 ARG A 64 -2.195 0.075 9.564 1.00 45.40 H new ATOM 0 HD2 ARG A 64 -4.283 -1.109 8.843 1.00 4.40 H new ATOM 0 HD3 ARG A 64 -3.615 -2.618 9.435 1.00 4.40 H new ATOM 0 HE ARG A 64 -3.520 -0.629 11.519 1.00 43.54 H new ATOM 0 HH11 ARG A 64 -5.721 -2.758 9.823 1.00 1.44 H new ATOM 0 HH12 ARG A 64 -6.869 -2.787 11.165 1.00 1.44 H new ATOM 0 HH21 ARG A 64 -4.975 -0.697 13.175 1.00 10.11 H new ATOM 0 HH22 ARG A 64 -6.456 -1.647 13.019 1.00 10.11 H new ATOM 1082 N VAL A 65 -0.139 -0.140 5.359 1.00 45.04 N ATOM 1083 CA VAL A 65 0.334 -0.283 3.973 1.00 0.12 C ATOM 1084 C VAL A 65 1.865 -0.120 3.872 1.00 53.44 C ATOM 1085 O VAL A 65 2.553 -0.957 3.280 1.00 34.52 O ATOM 1086 CB VAL A 65 -0.362 0.743 3.038 1.00 64.12 C ATOM 1087 CG1 VAL A 65 0.200 0.667 1.618 1.00 4.42 C ATOM 1088 CG2 VAL A 65 -1.876 0.522 3.036 1.00 51.24 C ATOM 0 H VAL A 65 -0.789 0.633 5.501 1.00 45.04 H new ATOM 0 HA VAL A 65 0.074 -1.292 3.652 1.00 0.12 H new ATOM 0 HB VAL A 65 -0.159 1.743 3.421 1.00 64.12 H new ATOM 0 HG11 VAL A 65 -0.307 1.397 0.987 1.00 4.42 H new ATOM 0 HG12 VAL A 65 1.268 0.883 1.637 1.00 4.42 H new ATOM 0 HG13 VAL A 65 0.040 -0.334 1.216 1.00 4.42 H new ATOM 0 HG21 VAL A 65 -2.349 1.249 2.376 1.00 51.24 H new ATOM 0 HG22 VAL A 65 -2.096 -0.486 2.683 1.00 51.24 H new ATOM 0 HG23 VAL A 65 -2.263 0.645 4.048 1.00 51.24 H new ATOM 1098 N GLU A 66 2.398 0.951 4.464 1.00 60.21 N ATOM 1099 CA GLU A 66 3.843 1.209 4.436 1.00 41.04 C ATOM 1100 C GLU A 66 4.623 0.145 5.230 1.00 4.45 C ATOM 1101 O GLU A 66 5.708 -0.272 4.826 1.00 43.42 O ATOM 1102 CB GLU A 66 4.159 2.615 4.971 1.00 70.42 C ATOM 1103 CG GLU A 66 3.518 3.738 4.155 1.00 11.30 C ATOM 1104 CD GLU A 66 3.927 5.131 4.622 1.00 14.32 C ATOM 1105 OE1 GLU A 66 3.527 5.533 5.736 1.00 52.33 O ATOM 1106 OE2 GLU A 66 4.618 5.848 3.867 1.00 70.34 O ATOM 0 H GLU A 66 1.855 1.652 4.967 1.00 60.21 H new ATOM 0 HA GLU A 66 4.164 1.153 3.396 1.00 41.04 H new ATOM 0 HB2 GLU A 66 3.818 2.687 6.004 1.00 70.42 H new ATOM 0 HB3 GLU A 66 5.240 2.756 4.982 1.00 70.42 H new ATOM 0 HG2 GLU A 66 3.792 3.618 3.107 1.00 11.30 H new ATOM 0 HG3 GLU A 66 2.433 3.647 4.213 1.00 11.30 H new ATOM 1113 N ASN A 67 4.059 -0.302 6.349 1.00 35.11 N ATOM 1114 CA ASN A 67 4.674 -1.377 7.143 1.00 23.32 C ATOM 1115 C ASN A 67 4.729 -2.698 6.354 1.00 13.55 C ATOM 1116 O ASN A 67 5.681 -3.473 6.493 1.00 64.23 O ATOM 1117 CB ASN A 67 3.928 -1.563 8.471 1.00 24.14 C ATOM 1118 CG ASN A 67 4.437 -0.626 9.555 1.00 74.32 C ATOM 1119 OD1 ASN A 67 5.298 -0.989 10.353 1.00 71.43 O ATOM 1120 ND2 ASN A 67 3.928 0.585 9.592 1.00 41.41 N ATOM 0 H ASN A 67 3.183 0.057 6.730 1.00 35.11 H new ATOM 0 HA ASN A 67 5.700 -1.083 7.364 1.00 23.32 H new ATOM 0 HB2 ASN A 67 2.863 -1.390 8.314 1.00 24.14 H new ATOM 0 HB3 ASN A 67 4.037 -2.595 8.805 1.00 24.14 H new ATOM 0 HD21 ASN A 67 4.247 1.251 10.296 1.00 41.41 H new ATOM 0 HD22 ASN A 67 3.214 0.859 8.917 1.00 41.41 H new ATOM 1127 N ILE A 68 3.716 -2.953 5.521 1.00 31.31 N ATOM 1128 CA ILE A 68 3.749 -4.099 4.601 1.00 53.13 C ATOM 1129 C ILE A 68 4.899 -3.945 3.589 1.00 52.04 C ATOM 1130 O ILE A 68 5.589 -4.910 3.258 1.00 41.10 O ATOM 1131 CB ILE A 68 2.404 -4.260 3.839 1.00 62.25 C ATOM 1132 CG1 ILE A 68 1.263 -4.574 4.820 1.00 44.34 C ATOM 1133 CG2 ILE A 68 2.503 -5.344 2.762 1.00 51.11 C ATOM 1134 CD1 ILE A 68 -0.116 -4.565 4.187 1.00 24.05 C ATOM 0 H ILE A 68 2.869 -2.388 5.463 1.00 31.31 H new ATOM 0 HA ILE A 68 3.911 -4.993 5.202 1.00 53.13 H new ATOM 0 HB ILE A 68 2.185 -3.315 3.342 1.00 62.25 H new ATOM 0 HG12 ILE A 68 1.440 -5.553 5.266 1.00 44.34 H new ATOM 0 HG13 ILE A 68 1.284 -3.846 5.631 1.00 44.34 H new ATOM 0 HG21 ILE A 68 1.547 -5.433 2.246 1.00 51.11 H new ATOM 0 HG22 ILE A 68 3.278 -5.075 2.045 1.00 51.11 H new ATOM 0 HG23 ILE A 68 2.755 -6.297 3.227 1.00 51.11 H new ATOM 0 HD11 ILE A 68 -0.865 -4.795 4.944 1.00 24.05 H new ATOM 0 HD12 ILE A 68 -0.317 -3.580 3.766 1.00 24.05 H new ATOM 0 HD13 ILE A 68 -0.158 -5.313 3.396 1.00 24.05 H new ATOM 1146 N TYR A 69 5.108 -2.722 3.107 1.00 15.15 N ATOM 1147 CA TYR A 69 6.230 -2.436 2.208 1.00 71.53 C ATOM 1148 C TYR A 69 7.577 -2.677 2.912 1.00 21.03 C ATOM 1149 O TYR A 69 8.530 -3.163 2.303 1.00 13.41 O ATOM 1150 CB TYR A 69 6.154 -0.993 1.693 1.00 54.32 C ATOM 1151 CG TYR A 69 7.165 -0.685 0.602 1.00 70.14 C ATOM 1152 CD1 TYR A 69 7.081 -1.316 -0.634 1.00 52.45 C ATOM 1153 CD2 TYR A 69 8.199 0.226 0.805 1.00 21.03 C ATOM 1154 CE1 TYR A 69 7.994 -1.050 -1.631 1.00 0.32 C ATOM 1155 CE2 TYR A 69 9.116 0.496 -0.195 1.00 43.54 C ATOM 1156 CZ TYR A 69 9.007 -0.146 -1.411 1.00 12.32 C ATOM 1157 OH TYR A 69 9.913 0.111 -2.414 1.00 1.22 O ATOM 0 H TYR A 69 4.521 -1.916 3.321 1.00 15.15 H new ATOM 0 HA TYR A 69 6.160 -3.116 1.359 1.00 71.53 H new ATOM 0 HB2 TYR A 69 5.151 -0.804 1.311 1.00 54.32 H new ATOM 0 HB3 TYR A 69 6.312 -0.309 2.527 1.00 54.32 H new ATOM 0 HD1 TYR A 69 6.288 -2.026 -0.816 1.00 52.45 H new ATOM 0 HD2 TYR A 69 8.286 0.729 1.757 1.00 21.03 H new ATOM 0 HE1 TYR A 69 7.914 -1.551 -2.584 1.00 0.32 H new ATOM 0 HE2 TYR A 69 9.912 1.205 -0.025 1.00 43.54 H new ATOM 0 HH TYR A 69 10.020 -0.688 -2.971 1.00 1.22 H new ATOM 1167 N LEU A 70 7.648 -2.325 4.197 1.00 30.33 N ATOM 1168 CA LEU A 70 8.838 -2.604 5.015 1.00 21.23 C ATOM 1169 C LEU A 70 9.099 -4.114 5.099 1.00 3.30 C ATOM 1170 O LEU A 70 10.243 -4.560 5.052 1.00 21.45 O ATOM 1171 CB LEU A 70 8.675 -2.014 6.424 1.00 50.12 C ATOM 1172 CG LEU A 70 8.521 -0.484 6.482 1.00 25.02 C ATOM 1173 CD1 LEU A 70 8.328 -0.018 7.922 1.00 22.21 C ATOM 1174 CD2 LEU A 70 9.727 0.209 5.845 1.00 43.42 C ATOM 0 H LEU A 70 6.898 -1.847 4.697 1.00 30.33 H new ATOM 0 HA LEU A 70 9.696 -2.132 4.536 1.00 21.23 H new ATOM 0 HB2 LEU A 70 7.802 -2.469 6.892 1.00 50.12 H new ATOM 0 HB3 LEU A 70 9.541 -2.299 7.022 1.00 50.12 H new ATOM 0 HG LEU A 70 7.634 -0.209 5.912 1.00 25.02 H new ATOM 0 HD11 LEU A 70 8.221 1.067 7.942 1.00 22.21 H new ATOM 0 HD12 LEU A 70 7.431 -0.479 8.336 1.00 22.21 H new ATOM 0 HD13 LEU A 70 9.194 -0.308 8.517 1.00 22.21 H new ATOM 0 HD21 LEU A 70 9.595 1.290 5.898 1.00 43.42 H new ATOM 0 HD22 LEU A 70 10.633 -0.073 6.381 1.00 43.42 H new ATOM 0 HD23 LEU A 70 9.813 -0.096 4.802 1.00 43.42 H new ATOM 1186 N LYS A 71 8.021 -4.892 5.213 1.00 40.33 N ATOM 1187 CA LYS A 71 8.104 -6.358 5.182 1.00 65.11 C ATOM 1188 C LYS A 71 8.756 -6.837 3.872 1.00 62.32 C ATOM 1189 O LYS A 71 9.596 -7.737 3.873 1.00 23.21 O ATOM 1190 CB LYS A 71 6.698 -6.957 5.331 1.00 43.11 C ATOM 1191 CG LYS A 71 6.650 -8.481 5.290 1.00 54.13 C ATOM 1192 CD LYS A 71 5.215 -8.994 5.384 1.00 14.24 C ATOM 1193 CE LYS A 71 5.142 -10.512 5.284 1.00 72.41 C ATOM 1194 NZ LYS A 71 5.879 -11.186 6.386 1.00 52.31 N ATOM 0 H LYS A 71 7.074 -4.531 5.328 1.00 40.33 H new ATOM 0 HA LYS A 71 8.725 -6.694 6.012 1.00 65.11 H new ATOM 0 HB2 LYS A 71 6.271 -6.618 6.275 1.00 43.11 H new ATOM 0 HB3 LYS A 71 6.064 -6.565 4.536 1.00 43.11 H new ATOM 0 HG2 LYS A 71 7.106 -8.836 4.366 1.00 54.13 H new ATOM 0 HG3 LYS A 71 7.238 -8.888 6.112 1.00 54.13 H new ATOM 0 HD2 LYS A 71 4.776 -8.672 6.328 1.00 14.24 H new ATOM 0 HD3 LYS A 71 4.619 -8.549 4.587 1.00 14.24 H new ATOM 0 HE2 LYS A 71 4.098 -10.825 5.303 1.00 72.41 H new ATOM 0 HE3 LYS A 71 5.553 -10.831 4.326 1.00 72.41 H new ATOM 0 HZ1 LYS A 71 5.704 -12.210 6.345 1.00 52.31 H new ATOM 0 HZ2 LYS A 71 6.898 -11.005 6.284 1.00 52.31 H new ATOM 0 HZ3 LYS A 71 5.551 -10.815 7.301 1.00 52.31 H new ATOM 1208 N LEU A 72 8.370 -6.217 2.755 1.00 72.10 N ATOM 1209 CA LEU A 72 9.004 -6.489 1.456 1.00 54.12 C ATOM 1210 C LEU A 72 10.500 -6.128 1.490 1.00 53.53 C ATOM 1211 O LEU A 72 11.345 -6.869 0.985 1.00 54.13 O ATOM 1212 CB LEU A 72 8.298 -5.701 0.340 1.00 73.54 C ATOM 1213 CG LEU A 72 8.859 -5.906 -1.083 1.00 34.31 C ATOM 1214 CD1 LEU A 72 8.743 -7.368 -1.511 1.00 32.43 C ATOM 1215 CD2 LEU A 72 8.147 -4.990 -2.081 1.00 14.23 C ATOM 0 H LEU A 72 7.623 -5.524 2.720 1.00 72.10 H new ATOM 0 HA LEU A 72 8.910 -7.555 1.251 1.00 54.12 H new ATOM 0 HB2 LEU A 72 7.243 -5.976 0.338 1.00 73.54 H new ATOM 0 HB3 LEU A 72 8.350 -4.639 0.582 1.00 73.54 H new ATOM 0 HG LEU A 72 9.917 -5.642 -1.071 1.00 34.31 H new ATOM 0 HD11 LEU A 72 9.145 -7.486 -2.517 1.00 32.43 H new ATOM 0 HD12 LEU A 72 9.306 -7.995 -0.820 1.00 32.43 H new ATOM 0 HD13 LEU A 72 7.695 -7.668 -1.502 1.00 32.43 H new ATOM 0 HD21 LEU A 72 8.557 -5.150 -3.078 1.00 14.23 H new ATOM 0 HD22 LEU A 72 7.081 -5.217 -2.086 1.00 14.23 H new ATOM 0 HD23 LEU A 72 8.295 -3.950 -1.790 1.00 14.23 H new ATOM 1227 N GLN A 73 10.820 -4.990 2.107 1.00 55.32 N ATOM 1228 CA GLN A 73 12.217 -4.545 2.242 1.00 42.12 C ATOM 1229 C GLN A 73 12.944 -5.336 3.340 1.00 13.43 C ATOM 1230 O GLN A 73 14.154 -5.208 3.524 1.00 41.24 O ATOM 1231 CB GLN A 73 12.271 -3.040 2.536 1.00 44.42 C ATOM 1232 CG GLN A 73 11.413 -2.218 1.582 1.00 5.54 C ATOM 1233 CD GLN A 73 11.722 -2.483 0.117 1.00 0.45 C ATOM 1234 OE1 GLN A 73 12.857 -2.719 -0.268 1.00 61.02 O ATOM 1235 NE2 GLN A 73 10.697 -2.497 -0.705 1.00 3.35 N ATOM 0 H GLN A 73 10.136 -4.357 2.522 1.00 55.32 H new ATOM 0 HA GLN A 73 12.727 -4.735 1.298 1.00 42.12 H new ATOM 0 HB2 GLN A 73 11.939 -2.863 3.559 1.00 44.42 H new ATOM 0 HB3 GLN A 73 13.304 -2.699 2.472 1.00 44.42 H new ATOM 0 HG2 GLN A 73 10.362 -2.436 1.770 1.00 5.54 H new ATOM 0 HG3 GLN A 73 11.561 -1.159 1.792 1.00 5.54 H new ATOM 0 HE21 GLN A 73 9.760 -2.296 -0.355 1.00 3.35 H new ATOM 0 HE22 GLN A 73 10.838 -2.709 -1.693 1.00 3.35 H new