USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 78 THR OG1 : rot -130:sc= -0.879 USER MOD Set 1.2: A 81 GLN : amide:sc= -3.97! K(o=-4.9!,f=-1.6) USER MOD Set 2.1: A 35 SER OG : rot 72:sc= -1.45 USER MOD Set 2.2: A 47 SER OG : rot -91:sc= 0.00298 USER MOD Single : A 22 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-6.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.107 (180deg=-0.748) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.848 X(o=-0.85,f=-1.3) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 70 ASN : amide:sc= -3.54! C(o=-3.5!,f=-7.8!) USER MOD Single : A 73 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.35) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.806 K(o=-0.81,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.5!) USER MOD Single : A 89 GLN : amide:sc= -3.3! K(o=-3.3!,f=-0.072) USER MOD Single : A 90 CYS SG : rot 56:sc= 0.00189 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 98 GLN : amide:sc= -0.585 K(o=-0.59,f=-5.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.867 -9.300 0.395 1.00 0.00 N ATOM 230 CA VAL A 17 -1.294 -8.004 0.716 1.00 0.00 C ATOM 231 C VAL A 17 -2.290 -7.205 1.558 1.00 0.00 C ATOM 232 O VAL A 17 -3.352 -7.712 1.917 1.00 0.00 O ATOM 233 CB VAL A 17 -0.882 -7.282 -0.569 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.529 -7.687 -0.998 1.00 0.00 C ATOM 235 CG2 VAL A 17 -1.891 -7.539 -1.690 1.00 0.00 C ATOM 0 HA VAL A 17 -0.388 -8.123 1.311 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.875 -6.212 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.796 -7.159 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.237 -7.429 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.561 -8.762 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.575 -7.015 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.945 -8.609 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.873 -7.177 -1.386 1.00 0.00 H new ATOM 245 N GLU A 18 -1.913 -5.969 1.849 1.00 0.00 N ATOM 246 CA GLU A 18 -2.760 -5.094 2.642 1.00 0.00 C ATOM 247 C GLU A 18 -3.861 -4.487 1.770 1.00 0.00 C ATOM 248 O GLU A 18 -3.615 -3.541 1.023 1.00 0.00 O ATOM 249 CB GLU A 18 -1.934 -4.001 3.323 1.00 0.00 C ATOM 250 CG GLU A 18 -0.641 -4.573 3.906 1.00 0.00 C ATOM 251 CD GLU A 18 -0.307 -3.918 5.248 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.270 -3.602 5.980 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.903 -3.748 5.511 1.00 0.00 O ATOM 0 H GLU A 18 -1.032 -5.552 1.550 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.231 -5.688 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.697 -3.218 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.521 -3.538 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.743 -5.650 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.179 -4.414 3.206 1.00 0.00 H new ATOM 260 N GLU A 19 -5.051 -5.056 1.893 1.00 0.00 N ATOM 261 CA GLU A 19 -6.190 -4.583 1.125 1.00 0.00 C ATOM 262 C GLU A 19 -6.136 -3.061 0.979 1.00 0.00 C ATOM 263 O GLU A 19 -5.587 -2.371 1.836 1.00 0.00 O ATOM 264 CB GLU A 19 -7.506 -5.026 1.767 1.00 0.00 C ATOM 265 CG GLU A 19 -7.799 -6.496 1.460 1.00 0.00 C ATOM 266 CD GLU A 19 -7.908 -7.314 2.748 1.00 0.00 C ATOM 267 OE1 GLU A 19 -6.846 -7.780 3.216 1.00 0.00 O ATOM 268 OE2 GLU A 19 -9.050 -7.456 3.235 1.00 0.00 O ATOM 0 H GLU A 19 -5.251 -5.841 2.513 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.142 -5.026 0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.456 -4.879 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.322 -4.404 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.728 -6.575 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.008 -6.905 0.831 1.00 0.00 H new ATOM 275 N PRO A 20 -6.729 -2.570 -0.142 1.00 0.00 N ATOM 276 CA PRO A 20 -6.754 -1.142 -0.412 1.00 0.00 C ATOM 277 C PRO A 20 -7.774 -0.433 0.481 1.00 0.00 C ATOM 278 O PRO A 20 -8.960 -0.385 0.156 1.00 0.00 O ATOM 279 CB PRO A 20 -7.077 -1.027 -1.892 1.00 0.00 C ATOM 280 CG PRO A 20 -7.678 -2.365 -2.293 1.00 0.00 C ATOM 281 CD PRO A 20 -7.389 -3.358 -1.179 1.00 0.00 C ATOM 0 HA PRO A 20 -5.806 -0.654 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.778 -0.213 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.179 -0.812 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.752 -2.269 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.248 -2.710 -3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.307 -3.813 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.749 -4.169 -1.527 1.00 0.00 H new ATOM 289 N ARG A 21 -7.277 0.098 1.587 1.00 0.00 N ATOM 290 CA ARG A 21 -8.131 0.802 2.529 1.00 0.00 C ATOM 291 C ARG A 21 -8.395 2.229 2.042 1.00 0.00 C ATOM 292 O ARG A 21 -7.607 2.783 1.277 1.00 0.00 O ATOM 293 CB ARG A 21 -7.494 0.854 3.919 1.00 0.00 C ATOM 294 CG ARG A 21 -6.292 1.801 3.935 1.00 0.00 C ATOM 295 CD ARG A 21 -5.779 2.011 5.362 1.00 0.00 C ATOM 296 NE ARG A 21 -6.920 2.165 6.292 1.00 0.00 N ATOM 297 CZ ARG A 21 -7.522 1.145 6.917 1.00 0.00 C ATOM 298 NH1 ARG A 21 -7.097 -0.110 6.715 1.00 0.00 N ATOM 299 NH2 ARG A 21 -8.550 1.379 7.744 1.00 0.00 N ATOM 0 H ARG A 21 -6.293 0.055 1.853 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.072 0.256 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.232 1.185 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.178 -0.146 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.494 1.393 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.574 2.760 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.164 1.163 5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.144 2.896 5.403 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.270 3.107 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.315 -0.288 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.556 -0.887 7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.874 2.334 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.009 0.602 8.220 1.00 0.00 H new ATOM 313 N HIS A 22 -9.505 2.783 2.507 1.00 0.00 N ATOM 314 CA HIS A 22 -9.882 4.134 2.128 1.00 0.00 C ATOM 315 C HIS A 22 -9.612 5.087 3.294 1.00 0.00 C ATOM 316 O HIS A 22 -10.486 5.317 4.128 1.00 0.00 O ATOM 317 CB HIS A 22 -11.335 4.179 1.650 1.00 0.00 C ATOM 318 CG HIS A 22 -11.676 3.125 0.624 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.208 1.825 0.701 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.445 3.192 -0.501 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.679 1.149 -0.337 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.445 1.998 -1.081 1.00 0.00 N ATOM 0 H HIS A 22 -10.155 2.321 3.143 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.273 4.463 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.994 4.061 2.510 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.537 5.163 1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -12.965 4.068 -0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.490 0.108 -0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.937 1.755 -1.941 1.00 0.00 H new ATOM 330 N VAL A 23 -8.398 5.617 3.315 1.00 0.00 N ATOM 331 CA VAL A 23 -8.001 6.540 4.364 1.00 0.00 C ATOM 332 C VAL A 23 -8.739 7.867 4.175 1.00 0.00 C ATOM 333 O VAL A 23 -8.648 8.486 3.116 1.00 0.00 O ATOM 334 CB VAL A 23 -6.480 6.698 4.375 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.052 7.826 5.317 1.00 0.00 C ATOM 336 CG2 VAL A 23 -5.795 5.382 4.750 1.00 0.00 C ATOM 0 H VAL A 23 -7.676 5.424 2.621 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.280 6.149 5.342 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.164 6.965 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.966 7.917 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.498 8.764 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.387 7.601 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.714 5.522 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.121 5.072 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.061 4.614 4.024 1.00 0.00 H new ATOM 346 N LYS A 24 -9.452 8.265 5.218 1.00 0.00 N ATOM 347 CA LYS A 24 -10.204 9.508 5.180 1.00 0.00 C ATOM 348 C LYS A 24 -9.287 10.667 5.573 1.00 0.00 C ATOM 349 O LYS A 24 -8.276 10.463 6.245 1.00 0.00 O ATOM 350 CB LYS A 24 -11.462 9.399 6.044 1.00 0.00 C ATOM 351 CG LYS A 24 -12.697 9.125 5.183 1.00 0.00 C ATOM 352 CD LYS A 24 -13.974 9.171 6.025 1.00 0.00 C ATOM 353 CE LYS A 24 -15.209 9.336 5.138 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.045 8.116 5.181 1.00 0.00 N ATOM 0 H LYS A 24 -9.525 7.749 6.095 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.556 9.709 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.338 8.599 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.603 10.323 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.758 9.863 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.605 8.148 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.062 8.255 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.917 9.998 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.791 10.195 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.902 9.538 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.879 8.245 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.492 7.304 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.353 7.940 6.159 1.00 0.00 H new ATOM 368 N VAL A 25 -9.671 11.858 5.138 1.00 0.00 N ATOM 369 CA VAL A 25 -8.895 13.050 5.436 1.00 0.00 C ATOM 370 C VAL A 25 -9.837 14.165 5.894 1.00 0.00 C ATOM 371 O VAL A 25 -10.850 14.431 5.249 1.00 0.00 O ATOM 372 CB VAL A 25 -8.051 13.442 4.221 1.00 0.00 C ATOM 373 CG1 VAL A 25 -6.988 14.475 4.603 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.411 12.210 3.578 1.00 0.00 C ATOM 0 H VAL A 25 -10.510 12.023 4.581 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.198 12.858 6.251 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.714 13.898 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.402 14.737 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.473 15.369 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.331 14.056 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.817 12.516 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.768 11.713 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.192 11.522 3.254 1.00 0.00 H new ATOM 384 N GLN A 26 -9.469 14.788 7.004 1.00 0.00 N ATOM 385 CA GLN A 26 -10.269 15.868 7.556 1.00 0.00 C ATOM 386 C GLN A 26 -9.559 17.209 7.357 1.00 0.00 C ATOM 387 O GLN A 26 -9.094 17.818 8.319 1.00 0.00 O ATOM 388 CB GLN A 26 -10.574 15.624 9.035 1.00 0.00 C ATOM 389 CG GLN A 26 -12.057 15.312 9.244 1.00 0.00 C ATOM 390 CD GLN A 26 -12.566 15.921 10.553 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.115 15.590 11.637 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.528 16.825 10.391 1.00 0.00 N ATOM 0 H GLN A 26 -8.628 14.565 7.536 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.219 15.899 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.969 14.795 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.298 16.503 9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.636 15.703 8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.207 14.232 9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.859 17.055 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.935 17.288 11.204 1.00 0.00 H new ATOM 401 N LYS A 27 -9.498 17.629 6.102 1.00 0.00 N ATOM 402 CA LYS A 27 -8.852 18.887 5.765 1.00 0.00 C ATOM 403 C LYS A 27 -9.447 20.006 6.621 1.00 0.00 C ATOM 404 O LYS A 27 -8.786 20.523 7.520 1.00 0.00 O ATOM 405 CB LYS A 27 -8.944 19.149 4.260 1.00 0.00 C ATOM 406 CG LYS A 27 -8.269 18.029 3.466 1.00 0.00 C ATOM 407 CD LYS A 27 -7.020 18.542 2.747 1.00 0.00 C ATOM 408 CE LYS A 27 -6.861 17.874 1.380 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.101 18.750 0.460 1.00 0.00 N ATOM 0 H LYS A 27 -9.885 17.121 5.306 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.787 18.842 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.990 19.229 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.472 20.103 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.997 17.215 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.970 17.621 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.086 19.623 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.138 18.345 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.345 16.920 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.842 17.658 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.600 18.167 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.757 19.391 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.412 19.308 1.003 1.00 0.00 H new ATOM 423 N GLY A 28 -10.690 20.348 6.312 1.00 0.00 N ATOM 424 CA GLY A 28 -11.381 21.397 7.042 1.00 0.00 C ATOM 425 C GLY A 28 -10.998 22.779 6.510 1.00 0.00 C ATOM 426 O GLY A 28 -11.863 23.550 6.096 1.00 0.00 O ATOM 0 H GLY A 28 -11.236 19.917 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.458 21.256 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.135 21.330 8.102 1.00 0.00 H new ATOM 430 N SER A 29 -9.702 23.051 6.539 1.00 0.00 N ATOM 431 CA SER A 29 -9.194 24.327 6.064 1.00 0.00 C ATOM 432 C SER A 29 -7.669 24.277 5.960 1.00 0.00 C ATOM 433 O SER A 29 -6.992 25.272 6.216 1.00 0.00 O ATOM 434 CB SER A 29 -9.626 25.469 6.987 1.00 0.00 C ATOM 435 OG SER A 29 -10.422 26.434 6.305 1.00 0.00 O ATOM 0 H SER A 29 -8.988 22.410 6.884 1.00 0.00 H new ATOM 0 HA SER A 29 -9.613 24.516 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.189 25.063 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.742 25.955 7.401 1.00 0.00 H new ATOM 0 HG SER A 29 -10.679 27.145 6.928 1.00 0.00 H new ATOM 441 N GLU A 30 -7.171 23.108 5.582 1.00 0.00 N ATOM 442 CA GLU A 30 -5.738 22.916 5.441 1.00 0.00 C ATOM 443 C GLU A 30 -5.446 21.903 4.331 1.00 0.00 C ATOM 444 O GLU A 30 -6.259 21.021 4.061 1.00 0.00 O ATOM 445 CB GLU A 30 -5.110 22.474 6.765 1.00 0.00 C ATOM 446 CG GLU A 30 -4.966 23.658 7.724 1.00 0.00 C ATOM 447 CD GLU A 30 -5.931 23.527 8.905 1.00 0.00 C ATOM 448 OE1 GLU A 30 -7.084 23.982 8.748 1.00 0.00 O ATOM 449 OE2 GLU A 30 -5.492 22.976 9.937 1.00 0.00 O ATOM 0 H GLU A 30 -7.735 22.285 5.369 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.289 23.870 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.727 21.702 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.132 22.031 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.941 23.711 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.162 24.588 7.191 1.00 0.00 H new ATOM 456 N PRO A 31 -4.251 22.068 3.703 1.00 0.00 N ATOM 457 CA PRO A 31 -3.841 21.179 2.629 1.00 0.00 C ATOM 458 C PRO A 31 -3.403 19.820 3.179 1.00 0.00 C ATOM 459 O PRO A 31 -3.169 19.678 4.378 1.00 0.00 O ATOM 460 CB PRO A 31 -2.723 21.918 1.912 1.00 0.00 C ATOM 461 CG PRO A 31 -2.234 22.979 2.885 1.00 0.00 C ATOM 462 CD PRO A 31 -3.262 23.101 3.997 1.00 0.00 C ATOM 0 HA PRO A 31 -4.654 20.948 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.917 21.237 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.084 22.371 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.261 22.704 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.107 23.934 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.807 22.947 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.716 24.092 4.009 1.00 0.00 H new ATOM 470 N LEU A 32 -3.306 18.856 2.276 1.00 0.00 N ATOM 471 CA LEU A 32 -2.900 17.513 2.656 1.00 0.00 C ATOM 472 C LEU A 32 -1.444 17.538 3.123 1.00 0.00 C ATOM 473 O LEU A 32 -1.150 17.199 4.268 1.00 0.00 O ATOM 474 CB LEU A 32 -3.163 16.531 1.512 1.00 0.00 C ATOM 475 CG LEU A 32 -3.461 15.087 1.924 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.568 15.036 2.979 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.792 14.227 0.703 1.00 0.00 C ATOM 0 H LEU A 32 -3.501 18.978 1.282 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.498 17.157 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.004 16.902 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.294 16.529 0.854 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.563 14.668 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.761 13.999 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.255 15.594 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.478 15.479 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.000 13.206 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.668 14.634 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.945 14.227 0.017 1.00 0.00 H new ATOM 489 N GLY A 33 -0.571 17.943 2.213 1.00 0.00 N ATOM 490 CA GLY A 33 0.848 18.017 2.517 1.00 0.00 C ATOM 491 C GLY A 33 1.509 16.642 2.389 1.00 0.00 C ATOM 492 O GLY A 33 2.102 16.143 3.344 1.00 0.00 O ATOM 0 H GLY A 33 -0.819 18.224 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.332 18.722 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.987 18.399 3.528 1.00 0.00 H new ATOM 496 N ILE A 34 1.384 16.070 1.201 1.00 0.00 N ATOM 497 CA ILE A 34 1.961 14.763 0.935 1.00 0.00 C ATOM 498 C ILE A 34 2.600 14.766 -0.455 1.00 0.00 C ATOM 499 O ILE A 34 2.054 15.344 -1.392 1.00 0.00 O ATOM 500 CB ILE A 34 0.913 13.665 1.128 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.374 13.996 0.369 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.652 13.410 2.614 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.973 12.741 -0.269 1.00 0.00 C ATOM 0 H ILE A 34 0.892 16.488 0.411 1.00 0.00 H new ATOM 0 HA ILE A 34 2.754 14.544 1.650 1.00 0.00 H new ATOM 0 HB ILE A 34 1.307 12.740 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.098 14.442 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.165 14.736 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.097 12.625 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.578 13.098 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.289 14.325 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.887 13.004 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.256 12.311 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.204 12.012 0.508 1.00 0.00 H new ATOM 515 N SER A 35 3.750 14.113 -0.543 1.00 0.00 N ATOM 516 CA SER A 35 4.470 14.032 -1.803 1.00 0.00 C ATOM 517 C SER A 35 4.144 12.715 -2.509 1.00 0.00 C ATOM 518 O SER A 35 3.850 11.714 -1.858 1.00 0.00 O ATOM 519 CB SER A 35 5.979 14.158 -1.584 1.00 0.00 C ATOM 520 OG SER A 35 6.696 13.077 -2.175 1.00 0.00 O ATOM 0 H SER A 35 4.201 13.635 0.237 1.00 0.00 H new ATOM 0 HA SER A 35 4.151 14.862 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.329 15.100 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.189 14.191 -0.515 1.00 0.00 H new ATOM 0 HG SER A 35 6.684 13.171 -3.150 1.00 0.00 H new ATOM 526 N ILE A 36 4.207 12.758 -3.832 1.00 0.00 N ATOM 527 CA ILE A 36 3.922 11.580 -4.633 1.00 0.00 C ATOM 528 C ILE A 36 4.908 11.512 -5.801 1.00 0.00 C ATOM 529 O ILE A 36 5.420 12.538 -6.246 1.00 0.00 O ATOM 530 CB ILE A 36 2.454 11.568 -5.066 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.135 12.773 -5.953 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.526 11.487 -3.853 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.367 12.445 -7.429 1.00 0.00 C ATOM 0 H ILE A 36 4.451 13.590 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 36 4.063 10.675 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 36 2.281 10.673 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.099 13.075 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.759 13.618 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.489 11.480 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.734 10.573 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.693 12.350 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.133 13.319 -8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.410 12.167 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.724 11.615 -7.723 1.00 0.00 H new ATOM 545 N VAL A 37 5.144 10.294 -6.265 1.00 0.00 N ATOM 546 CA VAL A 37 6.059 10.079 -7.373 1.00 0.00 C ATOM 547 C VAL A 37 5.449 9.066 -8.344 1.00 0.00 C ATOM 548 O VAL A 37 4.708 8.175 -7.932 1.00 0.00 O ATOM 549 CB VAL A 37 7.429 9.651 -6.844 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.822 10.470 -5.613 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.454 8.152 -6.536 1.00 0.00 C ATOM 0 H VAL A 37 4.717 9.445 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 37 6.214 11.005 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 37 8.165 9.845 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.800 10.146 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.864 11.527 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.082 10.322 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.439 7.874 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.701 7.923 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.239 7.590 -7.445 1.00 0.00 H new ATOM 561 N SER A 38 5.784 9.236 -9.614 1.00 0.00 N ATOM 562 CA SER A 38 5.279 8.347 -10.647 1.00 0.00 C ATOM 563 C SER A 38 6.346 7.315 -11.017 1.00 0.00 C ATOM 564 O SER A 38 7.538 7.617 -11.002 1.00 0.00 O ATOM 565 CB SER A 38 4.848 9.133 -11.887 1.00 0.00 C ATOM 566 OG SER A 38 4.307 8.284 -12.896 1.00 0.00 O ATOM 0 H SER A 38 6.399 9.976 -9.952 1.00 0.00 H new ATOM 0 HA SER A 38 4.403 7.830 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.105 9.878 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.705 9.674 -12.289 1.00 0.00 H new ATOM 0 HG SER A 38 4.042 8.824 -13.670 1.00 0.00 H new ATOM 572 N GLY A 39 5.878 6.118 -11.339 1.00 0.00 N ATOM 573 CA GLY A 39 6.777 5.039 -11.712 1.00 0.00 C ATOM 574 C GLY A 39 6.857 4.893 -13.233 1.00 0.00 C ATOM 575 O GLY A 39 6.010 5.416 -13.956 1.00 0.00 O ATOM 0 H GLY A 39 4.888 5.872 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.771 5.233 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.431 4.104 -11.271 1.00 0.00 H new ATOM 623 N GLY A 43 1.042 4.418 -11.895 1.00 0.00 N ATOM 624 CA GLY A 43 0.728 4.365 -10.477 1.00 0.00 C ATOM 625 C GLY A 43 1.384 5.526 -9.726 1.00 0.00 C ATOM 626 O GLY A 43 2.400 6.060 -10.169 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.353 4.402 -10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.071 3.418 -10.060 1.00 0.00 H new ATOM 630 N ILE A 44 0.777 5.881 -8.604 1.00 0.00 N ATOM 631 CA ILE A 44 1.290 6.968 -7.787 1.00 0.00 C ATOM 632 C ILE A 44 1.661 6.430 -6.404 1.00 0.00 C ATOM 633 O ILE A 44 0.881 5.708 -5.785 1.00 0.00 O ATOM 634 CB ILE A 44 0.292 8.127 -7.749 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.166 8.788 -9.123 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.663 9.135 -6.659 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.449 9.536 -9.491 1.00 0.00 C ATOM 0 H ILE A 44 -0.066 5.435 -8.241 1.00 0.00 H new ATOM 0 HA ILE A 44 2.201 7.376 -8.225 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.689 7.725 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.046 8.030 -9.877 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.675 9.481 -9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.062 9.949 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.659 8.639 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.657 9.536 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.333 9.997 -10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.645 10.309 -8.748 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.284 8.836 -9.515 1.00 0.00 H new ATOM 649 N TYR A 45 2.853 6.802 -5.959 1.00 0.00 N ATOM 650 CA TYR A 45 3.337 6.366 -4.661 1.00 0.00 C ATOM 651 C TYR A 45 3.795 7.558 -3.818 1.00 0.00 C ATOM 652 O TYR A 45 4.462 8.459 -4.322 1.00 0.00 O ATOM 653 CB TYR A 45 4.539 5.462 -4.940 1.00 0.00 C ATOM 654 CG TYR A 45 4.214 4.245 -5.809 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.261 4.347 -7.184 1.00 0.00 C ATOM 656 CD2 TYR A 45 3.875 3.045 -5.216 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.955 3.201 -8.001 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.570 1.900 -6.033 1.00 0.00 C ATOM 659 CZ TYR A 45 3.625 2.034 -7.386 1.00 0.00 C ATOM 660 OH TYR A 45 3.336 0.952 -8.157 1.00 0.00 O ATOM 0 H TYR A 45 3.498 7.401 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 45 2.548 5.854 -4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.316 6.049 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.950 5.118 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.527 5.286 -7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.839 2.966 -4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.987 3.267 -9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.303 0.955 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 45 3.119 0.189 -7.582 1.00 0.00 H new ATOM 670 N VAL A 46 3.417 7.523 -2.548 1.00 0.00 N ATOM 671 CA VAL A 46 3.781 8.589 -1.630 1.00 0.00 C ATOM 672 C VAL A 46 5.290 8.551 -1.383 1.00 0.00 C ATOM 673 O VAL A 46 5.835 7.514 -1.009 1.00 0.00 O ATOM 674 CB VAL A 46 2.961 8.474 -0.343 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.395 9.526 0.679 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.463 8.580 -0.636 1.00 0.00 C ATOM 0 H VAL A 46 2.863 6.774 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 46 3.547 9.562 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 46 3.149 7.491 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.797 9.422 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.448 9.385 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.250 10.522 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.903 8.495 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.250 9.543 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.167 7.778 -1.312 1.00 0.00 H new ATOM 686 N SER A 47 5.923 9.694 -1.601 1.00 0.00 N ATOM 687 CA SER A 47 7.358 9.805 -1.407 1.00 0.00 C ATOM 688 C SER A 47 7.654 10.536 -0.096 1.00 0.00 C ATOM 689 O SER A 47 8.777 10.490 0.405 1.00 0.00 O ATOM 690 CB SER A 47 8.019 10.530 -2.581 1.00 0.00 C ATOM 691 OG SER A 47 9.145 11.300 -2.167 1.00 0.00 O ATOM 0 H SER A 47 5.467 10.552 -1.911 1.00 0.00 H new ATOM 0 HA SER A 47 7.775 8.799 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.333 9.800 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.290 11.183 -3.061 1.00 0.00 H new ATOM 0 HG SER A 47 8.857 12.212 -1.954 1.00 0.00 H new ATOM 697 N LYS A 48 6.628 11.194 0.422 1.00 0.00 N ATOM 698 CA LYS A 48 6.764 11.935 1.665 1.00 0.00 C ATOM 699 C LYS A 48 5.378 12.359 2.155 1.00 0.00 C ATOM 700 O LYS A 48 4.418 12.366 1.385 1.00 0.00 O ATOM 701 CB LYS A 48 7.738 13.102 1.489 1.00 0.00 C ATOM 702 CG LYS A 48 8.497 13.382 2.788 1.00 0.00 C ATOM 703 CD LYS A 48 10.003 13.198 2.593 1.00 0.00 C ATOM 704 CE LYS A 48 10.683 14.534 2.287 1.00 0.00 C ATOM 705 NZ LYS A 48 11.189 14.551 0.896 1.00 0.00 N ATOM 0 H LYS A 48 5.698 11.230 0.004 1.00 0.00 H new ATOM 0 HA LYS A 48 7.197 11.303 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.446 12.873 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.191 13.994 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.291 14.399 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.144 12.712 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.439 12.761 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.185 12.498 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.976 15.351 2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.507 14.697 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.648 15.465 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.879 13.784 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.396 14.417 0.237 1.00 0.00 H new ATOM 719 N VAL A 49 5.317 12.703 3.433 1.00 0.00 N ATOM 720 CA VAL A 49 4.064 13.128 4.035 1.00 0.00 C ATOM 721 C VAL A 49 4.358 14.087 5.190 1.00 0.00 C ATOM 722 O VAL A 49 4.779 13.660 6.264 1.00 0.00 O ATOM 723 CB VAL A 49 3.250 11.906 4.464 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.094 10.956 5.316 1.00 0.00 C ATOM 725 CG2 VAL A 49 1.981 12.327 5.208 1.00 0.00 C ATOM 0 H VAL A 49 6.115 12.696 4.069 1.00 0.00 H new ATOM 0 HA VAL A 49 3.455 13.669 3.311 1.00 0.00 H new ATOM 0 HB VAL A 49 2.950 11.371 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.491 10.096 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.955 10.617 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.438 11.477 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.420 11.440 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.252 12.896 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.365 12.946 4.555 1.00 0.00 H new ATOM 735 N THR A 50 4.124 15.365 4.930 1.00 0.00 N ATOM 736 CA THR A 50 4.358 16.388 5.934 1.00 0.00 C ATOM 737 C THR A 50 3.850 15.921 7.300 1.00 0.00 C ATOM 738 O THR A 50 2.838 15.228 7.386 1.00 0.00 O ATOM 739 CB THR A 50 3.701 17.683 5.452 1.00 0.00 C ATOM 740 OG1 THR A 50 4.260 17.895 4.159 1.00 0.00 O ATOM 741 CG2 THR A 50 4.152 18.904 6.257 1.00 0.00 C ATOM 0 H THR A 50 3.775 15.715 4.038 1.00 0.00 H new ATOM 0 HA THR A 50 5.424 16.576 6.065 1.00 0.00 H new ATOM 0 HB THR A 50 2.617 17.586 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.887 18.714 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.656 19.796 5.874 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.890 18.765 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.232 19.022 6.165 1.00 0.00 H new ATOM 749 N VAL A 51 4.577 16.319 8.334 1.00 0.00 N ATOM 750 CA VAL A 51 4.212 15.950 9.691 1.00 0.00 C ATOM 751 C VAL A 51 3.387 17.076 10.317 1.00 0.00 C ATOM 752 O VAL A 51 3.726 18.250 10.179 1.00 0.00 O ATOM 753 CB VAL A 51 5.469 15.612 10.496 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.186 15.662 11.999 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.030 14.248 10.089 1.00 0.00 C ATOM 0 H VAL A 51 5.417 16.893 8.259 1.00 0.00 H new ATOM 0 HA VAL A 51 3.591 15.054 9.690 1.00 0.00 H new ATOM 0 HB VAL A 51 6.224 16.365 10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.095 15.418 12.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.854 16.663 12.274 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.407 14.940 12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.923 14.032 10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.281 13.477 10.271 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.287 14.262 9.030 1.00 0.00 H new ATOM 765 N GLY A 52 2.318 16.678 10.991 1.00 0.00 N ATOM 766 CA GLY A 52 1.441 17.639 11.639 1.00 0.00 C ATOM 767 C GLY A 52 0.341 18.108 10.684 1.00 0.00 C ATOM 768 O GLY A 52 -0.760 18.444 11.116 1.00 0.00 O ATOM 0 H GLY A 52 2.039 15.703 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.992 17.188 12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.022 18.496 11.979 1.00 0.00 H new ATOM 772 N SER A 53 0.679 18.116 9.402 1.00 0.00 N ATOM 773 CA SER A 53 -0.266 18.539 8.382 1.00 0.00 C ATOM 774 C SER A 53 -1.422 17.540 8.294 1.00 0.00 C ATOM 775 O SER A 53 -1.349 16.449 8.858 1.00 0.00 O ATOM 776 CB SER A 53 0.419 18.680 7.022 1.00 0.00 C ATOM 777 OG SER A 53 0.080 19.906 6.378 1.00 0.00 O ATOM 0 H SER A 53 1.593 17.836 9.047 1.00 0.00 H new ATOM 0 HA SER A 53 -0.659 19.516 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.500 18.626 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.133 17.844 6.384 1.00 0.00 H new ATOM 0 HG SER A 53 0.539 19.959 5.514 1.00 0.00 H new ATOM 783 N ILE A 54 -2.461 17.948 7.581 1.00 0.00 N ATOM 784 CA ILE A 54 -3.630 17.103 7.411 1.00 0.00 C ATOM 785 C ILE A 54 -3.182 15.653 7.217 1.00 0.00 C ATOM 786 O ILE A 54 -3.572 14.772 7.982 1.00 0.00 O ATOM 787 CB ILE A 54 -4.513 17.630 6.277 1.00 0.00 C ATOM 788 CG1 ILE A 54 -5.028 19.036 6.592 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.653 16.657 5.972 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.934 19.025 7.825 1.00 0.00 C ATOM 0 H ILE A 54 -2.518 18.853 7.114 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.251 17.129 8.306 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.904 17.704 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.185 19.706 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.578 19.426 5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.265 17.056 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.239 15.694 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.269 16.527 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.286 20.037 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.788 18.373 7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.374 18.658 8.685 1.00 0.00 H new ATOM 802 N ALA A 55 -2.369 15.450 6.191 1.00 0.00 N ATOM 803 CA ALA A 55 -1.864 14.122 5.887 1.00 0.00 C ATOM 804 C ALA A 55 -1.580 13.378 7.194 1.00 0.00 C ATOM 805 O ALA A 55 -2.288 12.433 7.540 1.00 0.00 O ATOM 806 CB ALA A 55 -0.622 14.239 5.001 1.00 0.00 C ATOM 0 H ALA A 55 -2.047 16.183 5.559 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.606 13.546 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.243 13.243 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.883 14.749 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.146 14.808 5.524 1.00 0.00 H new ATOM 812 N HIS A 56 -0.544 13.833 7.883 1.00 0.00 N ATOM 813 CA HIS A 56 -0.159 13.222 9.144 1.00 0.00 C ATOM 814 C HIS A 56 -1.412 12.848 9.938 1.00 0.00 C ATOM 815 O HIS A 56 -1.587 11.693 10.322 1.00 0.00 O ATOM 816 CB HIS A 56 0.787 14.137 9.924 1.00 0.00 C ATOM 817 CG HIS A 56 1.688 13.408 10.892 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.644 13.617 12.260 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.655 12.471 10.676 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.549 12.836 12.831 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.175 12.127 11.848 1.00 0.00 N ATOM 0 H HIS A 56 0.040 14.617 7.592 1.00 0.00 H new ATOM 0 HA HIS A 56 0.394 12.302 8.953 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.404 14.692 9.217 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.196 14.869 10.475 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.948 12.076 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.755 12.772 13.889 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.920 11.445 11.990 1.00 0.00 H new ATOM 829 N GLN A 57 -2.252 13.848 10.161 1.00 0.00 N ATOM 830 CA GLN A 57 -3.484 13.639 10.902 1.00 0.00 C ATOM 831 C GLN A 57 -4.264 12.462 10.314 1.00 0.00 C ATOM 832 O GLN A 57 -4.732 11.593 11.049 1.00 0.00 O ATOM 833 CB GLN A 57 -4.337 14.909 10.918 1.00 0.00 C ATOM 834 CG GLN A 57 -3.484 16.139 11.238 1.00 0.00 C ATOM 835 CD GLN A 57 -4.349 17.283 11.770 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.423 17.569 11.266 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.824 17.919 12.813 1.00 0.00 N ATOM 0 H GLN A 57 -2.104 14.805 9.841 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.228 13.400 11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.820 15.039 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.130 14.809 11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.726 15.878 11.976 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.957 16.464 10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.920 17.628 13.186 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.325 18.698 13.241 1.00 0.00 H new ATOM 846 N ALA A 58 -4.381 12.471 8.994 1.00 0.00 N ATOM 847 CA ALA A 58 -5.097 11.415 8.299 1.00 0.00 C ATOM 848 C ALA A 58 -4.440 10.069 8.611 1.00 0.00 C ATOM 849 O ALA A 58 -5.126 9.061 8.772 1.00 0.00 O ATOM 850 CB ALA A 58 -5.124 11.718 6.799 1.00 0.00 C ATOM 0 H ALA A 58 -3.992 13.193 8.388 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.131 11.364 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.661 10.926 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.627 12.670 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.103 11.774 6.421 1.00 0.00 H new ATOM 856 N GLY A 59 -3.117 10.096 8.685 1.00 0.00 N ATOM 857 CA GLY A 59 -2.359 8.890 8.975 1.00 0.00 C ATOM 858 C GLY A 59 -1.744 8.310 7.700 1.00 0.00 C ATOM 859 O GLY A 59 -1.668 7.093 7.540 1.00 0.00 O ATOM 0 H GLY A 59 -2.551 10.933 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.571 9.115 9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.010 8.149 9.439 1.00 0.00 H new ATOM 863 N LEU A 60 -1.319 9.209 6.824 1.00 0.00 N ATOM 864 CA LEU A 60 -0.712 8.802 5.568 1.00 0.00 C ATOM 865 C LEU A 60 0.780 8.545 5.788 1.00 0.00 C ATOM 866 O LEU A 60 1.450 9.308 6.482 1.00 0.00 O ATOM 867 CB LEU A 60 -1.004 9.831 4.474 1.00 0.00 C ATOM 868 CG LEU A 60 -2.425 9.820 3.905 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.641 10.993 2.948 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.741 8.476 3.246 1.00 0.00 C ATOM 0 H LEU A 60 -1.383 10.218 6.959 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.149 7.867 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.802 10.825 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.304 9.669 3.654 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.125 9.946 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.658 10.962 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.485 11.931 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.933 10.924 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.756 8.495 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.038 8.295 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.654 7.679 3.985 1.00 0.00 H new ATOM 882 N GLU A 61 1.258 7.468 5.182 1.00 0.00 N ATOM 883 CA GLU A 61 2.658 7.100 5.303 1.00 0.00 C ATOM 884 C GLU A 61 3.278 6.910 3.917 1.00 0.00 C ATOM 885 O GLU A 61 2.574 6.936 2.909 1.00 0.00 O ATOM 886 CB GLU A 61 2.823 5.841 6.155 1.00 0.00 C ATOM 887 CG GLU A 61 2.151 4.637 5.491 1.00 0.00 C ATOM 888 CD GLU A 61 1.981 3.487 6.486 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.990 3.536 7.246 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.846 2.585 6.463 1.00 0.00 O ATOM 0 H GLU A 61 0.700 6.838 4.605 1.00 0.00 H new ATOM 0 HA GLU A 61 3.184 7.911 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.883 5.634 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.389 6.006 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.177 4.930 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.749 4.304 4.643 1.00 0.00 H new ATOM 897 N TYR A 62 4.590 6.722 3.911 1.00 0.00 N ATOM 898 CA TYR A 62 5.312 6.527 2.666 1.00 0.00 C ATOM 899 C TYR A 62 5.199 5.078 2.187 1.00 0.00 C ATOM 900 O TYR A 62 5.029 4.165 2.994 1.00 0.00 O ATOM 901 CB TYR A 62 6.778 6.836 2.976 1.00 0.00 C ATOM 902 CG TYR A 62 7.721 6.638 1.787 1.00 0.00 C ATOM 903 CD1 TYR A 62 8.026 5.365 1.352 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.266 7.734 1.149 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.913 5.179 0.233 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.153 7.549 0.030 1.00 0.00 C ATOM 907 CZ TYR A 62 9.433 6.280 -0.373 1.00 0.00 C ATOM 908 OH TYR A 62 10.271 6.105 -1.429 1.00 0.00 O ATOM 0 H TYR A 62 5.171 6.701 4.749 1.00 0.00 H new ATOM 0 HA TYR A 62 4.906 7.167 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.856 7.867 3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.107 6.199 3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.599 4.507 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.027 8.731 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.160 4.188 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.586 8.398 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 62 10.564 6.979 -1.762 1.00 0.00 H new ATOM 918 N GLY A 63 5.298 4.912 0.877 1.00 0.00 N ATOM 919 CA GLY A 63 5.209 3.589 0.281 1.00 0.00 C ATOM 920 C GLY A 63 3.754 3.212 -0.002 1.00 0.00 C ATOM 921 O GLY A 63 3.486 2.291 -0.771 1.00 0.00 O ATOM 0 H GLY A 63 5.439 5.671 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.782 3.565 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.655 2.854 0.951 1.00 0.00 H new ATOM 925 N ASP A 64 2.852 3.944 0.635 1.00 0.00 N ATOM 926 CA ASP A 64 1.430 3.699 0.461 1.00 0.00 C ATOM 927 C ASP A 64 1.007 4.146 -0.939 1.00 0.00 C ATOM 928 O ASP A 64 1.057 5.334 -1.257 1.00 0.00 O ATOM 929 CB ASP A 64 0.606 4.489 1.480 1.00 0.00 C ATOM 930 CG ASP A 64 -0.133 3.638 2.514 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.025 2.397 2.409 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.789 4.247 3.386 1.00 0.00 O ATOM 0 H ASP A 64 3.078 4.707 1.273 1.00 0.00 H new ATOM 0 HA ASP A 64 1.252 2.633 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.268 5.177 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.123 5.096 0.943 1.00 0.00 H new ATOM 937 N GLN A 65 0.600 3.172 -1.739 1.00 0.00 N ATOM 938 CA GLN A 65 0.168 3.451 -3.098 1.00 0.00 C ATOM 939 C GLN A 65 -1.273 3.966 -3.103 1.00 0.00 C ATOM 940 O GLN A 65 -2.174 3.304 -2.590 1.00 0.00 O ATOM 941 CB GLN A 65 0.310 2.211 -3.984 1.00 0.00 C ATOM 942 CG GLN A 65 0.176 2.576 -5.464 1.00 0.00 C ATOM 943 CD GLN A 65 -0.529 1.463 -6.241 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.315 0.283 -6.018 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.380 1.903 -7.165 1.00 0.00 N ATOM 0 H GLN A 65 0.560 2.188 -1.472 1.00 0.00 H new ATOM 0 HA GLN A 65 0.812 4.228 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.278 1.743 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.452 1.479 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.385 3.505 -5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.164 2.752 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.512 2.905 -7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.900 1.238 -7.738 1.00 0.00 H new ATOM 954 N LEU A 66 -1.445 5.142 -3.687 1.00 0.00 N ATOM 955 CA LEU A 66 -2.761 5.754 -3.765 1.00 0.00 C ATOM 956 C LEU A 66 -3.499 5.211 -4.991 1.00 0.00 C ATOM 957 O LEU A 66 -2.976 5.252 -6.103 1.00 0.00 O ATOM 958 CB LEU A 66 -2.645 7.279 -3.742 1.00 0.00 C ATOM 959 CG LEU A 66 -1.705 7.865 -2.687 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.301 9.296 -3.045 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.324 7.776 -1.291 1.00 0.00 C ATOM 0 H LEU A 66 -0.695 5.688 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.357 5.490 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.310 7.613 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.640 7.697 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.793 7.268 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.633 9.688 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.790 9.300 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.192 9.921 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.635 8.199 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.261 8.333 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.518 6.732 -1.045 1.00 0.00 H new ATOM 973 N LEU A 67 -4.703 4.716 -4.745 1.00 0.00 N ATOM 974 CA LEU A 67 -5.518 4.166 -5.815 1.00 0.00 C ATOM 975 C LEU A 67 -6.399 5.272 -6.399 1.00 0.00 C ATOM 976 O LEU A 67 -6.356 5.536 -7.600 1.00 0.00 O ATOM 977 CB LEU A 67 -6.304 2.951 -5.319 1.00 0.00 C ATOM 978 CG LEU A 67 -5.574 2.035 -4.335 1.00 0.00 C ATOM 979 CD1 LEU A 67 -6.551 1.415 -3.334 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.759 0.973 -5.075 1.00 0.00 C ATOM 0 H LEU A 67 -5.134 4.684 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.887 3.800 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.219 3.305 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.602 2.358 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.870 2.640 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.006 0.768 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.047 2.206 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.297 0.828 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.250 0.335 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.424 0.366 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.021 1.460 -5.712 1.00 0.00 H new ATOM 992 N GLU A 68 -7.177 5.889 -5.522 1.00 0.00 N ATOM 993 CA GLU A 68 -8.067 6.961 -5.936 1.00 0.00 C ATOM 994 C GLU A 68 -8.122 8.050 -4.862 1.00 0.00 C ATOM 995 O GLU A 68 -7.836 7.790 -3.694 1.00 0.00 O ATOM 996 CB GLU A 68 -9.466 6.424 -6.244 1.00 0.00 C ATOM 997 CG GLU A 68 -9.440 5.486 -7.452 1.00 0.00 C ATOM 998 CD GLU A 68 -9.579 4.025 -7.016 1.00 0.00 C ATOM 999 OE1 GLU A 68 -10.655 3.696 -6.472 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -8.605 3.273 -7.236 1.00 0.00 O ATOM 0 H GLU A 68 -7.210 5.667 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.673 7.401 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.855 5.893 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.144 7.255 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.250 5.744 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.507 5.618 -8.000 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.492 9.246 -5.296 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.587 10.375 -4.386 1.00 0.00 C ATOM 1009 C PHE A 69 -9.992 10.981 -4.411 1.00 0.00 C ATOM 1010 O PHE A 69 -10.353 11.682 -5.355 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.584 11.424 -4.868 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.645 12.744 -4.097 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.528 13.709 -4.469 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.815 12.953 -3.040 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.585 14.934 -3.754 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.872 14.178 -2.324 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.756 15.143 -2.696 1.00 0.00 C ATOM 0 H PHE A 69 -8.729 9.458 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.377 10.050 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.577 11.014 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.762 11.624 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.186 13.543 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.113 12.187 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.286 15.700 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.214 14.344 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.800 16.075 -2.151 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.747 10.689 -3.362 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.104 11.196 -3.251 1.00 0.00 C ATOM 1029 C ASN A 70 -12.927 10.701 -4.442 1.00 0.00 C ATOM 1030 O ASN A 70 -13.986 11.251 -4.740 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.122 12.726 -3.267 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.842 13.278 -2.034 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.460 12.556 -1.269 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.728 14.595 -1.886 1.00 0.00 N ATOM 0 H ASN A 70 -10.444 10.107 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.522 10.840 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.100 13.105 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.619 13.078 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.173 15.060 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.195 15.140 -2.564 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.410 9.667 -5.089 1.00 0.00 N ATOM 1042 CA GLY A 71 -13.084 9.092 -6.240 1.00 0.00 C ATOM 1043 C GLY A 71 -12.204 9.172 -7.489 1.00 0.00 C ATOM 1044 O GLY A 71 -12.264 8.299 -8.353 1.00 0.00 O ATOM 0 H GLY A 71 -11.532 9.213 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.337 8.052 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.022 9.619 -6.417 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.405 10.228 -7.543 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.513 10.435 -8.672 1.00 0.00 C ATOM 1050 C ILE A 72 -9.563 9.241 -8.789 1.00 0.00 C ATOM 1051 O ILE A 72 -8.990 8.799 -7.795 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.797 11.781 -8.550 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.692 12.924 -9.035 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.453 11.755 -9.279 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.475 14.184 -8.196 1.00 0.00 C ATOM 0 H ILE A 72 -11.357 10.949 -6.823 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.080 10.486 -9.602 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.587 11.962 -7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.478 13.139 -10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.738 12.621 -8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.965 12.724 -9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.819 10.982 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.616 11.541 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.123 14.981 -8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.713 13.972 -7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.434 14.498 -8.274 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.425 8.754 -10.014 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.554 7.621 -10.275 1.00 0.00 C ATOM 1069 C ASN A 73 -7.095 8.077 -10.202 1.00 0.00 C ATOM 1070 O ASN A 73 -6.708 9.038 -10.865 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.800 7.046 -11.671 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.193 5.648 -11.804 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.370 4.783 -10.962 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -7.468 5.476 -12.906 1.00 0.00 N ATOM 0 H ASN A 73 -9.902 9.124 -10.836 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.764 6.856 -9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.872 7.001 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.367 7.707 -12.422 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.020 4.578 -13.087 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.360 6.242 -13.570 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.326 7.366 -9.391 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.918 7.686 -9.223 1.00 0.00 C ATOM 1083 C LEU A 74 -4.070 6.567 -9.831 1.00 0.00 C ATOM 1084 O LEU A 74 -2.987 6.820 -10.357 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.604 7.966 -7.752 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.657 9.433 -7.323 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.672 9.558 -5.798 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.513 10.231 -7.952 1.00 0.00 C ATOM 0 H LEU A 74 -6.651 6.569 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.669 8.602 -9.758 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.306 7.403 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.608 7.580 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.589 9.862 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.710 10.611 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.548 9.046 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.769 9.106 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.575 11.271 -7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.559 9.809 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.590 10.182 -9.038 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.593 5.354 -9.738 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.897 4.195 -10.273 1.00 0.00 C ATOM 1102 C ARG A 75 -3.317 4.514 -11.652 1.00 0.00 C ATOM 1103 O ARG A 75 -2.320 3.922 -12.062 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.836 2.993 -10.387 1.00 0.00 C ATOM 1105 CG ARG A 75 -5.424 2.625 -9.024 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.921 1.177 -9.014 1.00 0.00 C ATOM 1107 NE ARG A 75 -7.195 1.075 -9.760 1.00 0.00 N ATOM 1108 CZ ARG A 75 -7.657 -0.059 -10.305 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -6.953 -1.193 -10.191 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -8.824 -0.058 -10.965 1.00 0.00 N ATOM 0 H ARG A 75 -5.491 5.148 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.089 3.946 -9.585 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.642 3.221 -11.085 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.293 2.140 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.669 2.759 -8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.248 3.298 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.173 0.524 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.063 0.839 -7.987 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.756 1.920 -9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.065 -1.194 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.305 -2.056 -10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.360 0.806 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.176 -0.921 -11.380 1.00 0.00 H new ATOM 1124 N SER A 76 -3.967 5.449 -12.330 1.00 0.00 N ATOM 1125 CA SER A 76 -3.528 5.854 -13.655 1.00 0.00 C ATOM 1126 C SER A 76 -3.433 7.379 -13.731 1.00 0.00 C ATOM 1127 O SER A 76 -3.984 7.994 -14.643 1.00 0.00 O ATOM 1128 CB SER A 76 -4.476 5.327 -14.734 1.00 0.00 C ATOM 1129 OG SER A 76 -4.308 3.929 -14.955 1.00 0.00 O ATOM 0 H SER A 76 -4.794 5.938 -11.987 1.00 0.00 H new ATOM 0 HA SER A 76 -2.542 5.425 -13.835 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.507 5.526 -14.440 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.300 5.865 -15.665 1.00 0.00 H new ATOM 0 HG SER A 76 -4.932 3.630 -15.649 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.729 7.946 -12.762 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.555 9.387 -12.708 1.00 0.00 C ATOM 1137 C ALA A 77 -1.065 9.720 -12.813 1.00 0.00 C ATOM 1138 O ALA A 77 -0.216 8.886 -12.505 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.185 9.930 -11.424 1.00 0.00 C ATOM 0 H ALA A 77 -2.272 7.433 -12.008 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.060 9.867 -13.546 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.054 11.011 -11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.249 9.692 -11.412 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.701 9.474 -10.560 1.00 0.00 H new ATOM 1145 N THR A 78 -0.794 10.942 -13.248 1.00 0.00 N ATOM 1146 CA THR A 78 0.578 11.396 -13.397 1.00 0.00 C ATOM 1147 C THR A 78 1.031 12.145 -12.143 1.00 0.00 C ATOM 1148 O THR A 78 0.210 12.714 -11.425 1.00 0.00 O ATOM 1149 CB THR A 78 0.662 12.238 -14.672 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.541 13.001 -14.664 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.557 11.390 -15.942 1.00 0.00 C ATOM 0 H THR A 78 -1.501 11.632 -13.502 1.00 0.00 H new ATOM 0 HA THR A 78 1.264 10.555 -13.500 1.00 0.00 H new ATOM 0 HB THR A 78 1.602 12.790 -14.681 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.985 12.921 -15.534 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.622 12.036 -16.817 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.371 10.666 -15.964 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.397 10.863 -15.950 1.00 0.00 H new ATOM 1159 N GLU A 79 2.337 12.123 -11.918 1.00 0.00 N ATOM 1160 CA GLU A 79 2.909 12.793 -10.763 1.00 0.00 C ATOM 1161 C GLU A 79 2.424 14.243 -10.696 1.00 0.00 C ATOM 1162 O GLU A 79 2.411 14.848 -9.626 1.00 0.00 O ATOM 1163 CB GLU A 79 4.437 12.727 -10.791 1.00 0.00 C ATOM 1164 CG GLU A 79 4.973 13.030 -12.192 1.00 0.00 C ATOM 1165 CD GLU A 79 6.453 13.416 -12.142 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.751 14.434 -11.482 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.251 12.683 -12.765 1.00 0.00 O ATOM 0 H GLU A 79 3.015 11.651 -12.516 1.00 0.00 H new ATOM 0 HA GLU A 79 2.573 12.276 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.849 13.441 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.768 11.737 -10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.843 12.157 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.397 13.841 -12.638 1.00 0.00 H new ATOM 1174 N GLN A 80 2.036 14.757 -11.854 1.00 0.00 N ATOM 1175 CA GLN A 80 1.551 16.124 -11.941 1.00 0.00 C ATOM 1176 C GLN A 80 0.078 16.191 -11.535 1.00 0.00 C ATOM 1177 O GLN A 80 -0.284 16.923 -10.614 1.00 0.00 O ATOM 1178 CB GLN A 80 1.760 16.692 -13.346 1.00 0.00 C ATOM 1179 CG GLN A 80 3.127 16.289 -13.903 1.00 0.00 C ATOM 1180 CD GLN A 80 3.184 16.495 -15.418 1.00 0.00 C ATOM 1181 OE1 GLN A 80 3.821 15.753 -16.148 1.00 0.00 O ATOM 1182 NE2 GLN A 80 2.485 17.541 -15.849 1.00 0.00 N ATOM 0 H GLN A 80 2.048 14.251 -12.740 1.00 0.00 H new ATOM 0 HA GLN A 80 2.127 16.738 -11.248 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.973 16.332 -14.008 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.681 17.779 -13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.908 16.879 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.326 15.244 -13.667 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.974 18.122 -15.184 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.460 17.763 -16.844 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.734 15.419 -12.243 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.160 15.382 -11.968 1.00 0.00 C ATOM 1193 C GLN A 81 -2.410 14.956 -10.520 1.00 0.00 C ATOM 1194 O GLN A 81 -3.376 15.398 -9.898 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.883 14.453 -12.945 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.398 15.228 -14.159 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.335 15.298 -15.257 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -2.496 14.776 -16.348 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.242 15.971 -14.909 1.00 0.00 N ATOM 0 H GLN A 81 -0.431 14.814 -13.007 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.563 16.385 -12.106 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.205 13.665 -13.273 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.717 13.966 -12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.296 14.747 -14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.681 16.236 -13.858 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.172 16.384 -13.979 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.474 16.075 -15.572 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.525 14.104 -10.025 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.638 13.614 -8.662 1.00 0.00 C ATOM 1210 C ALA A 82 -1.358 14.761 -7.688 1.00 0.00 C ATOM 1211 O ALA A 82 -2.074 14.932 -6.702 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.685 12.434 -8.463 1.00 0.00 C ATOM 0 H ALA A 82 -0.726 13.740 -10.544 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.648 13.254 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.770 12.066 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.944 11.636 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.339 12.758 -8.648 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.314 15.516 -7.997 1.00 0.00 N ATOM 1219 CA ARG A 83 0.069 16.641 -7.162 1.00 0.00 C ATOM 1220 C ARG A 83 -0.986 17.746 -7.241 1.00 0.00 C ATOM 1221 O ARG A 83 -0.925 18.722 -6.496 1.00 0.00 O ATOM 1222 CB ARG A 83 1.424 17.208 -7.589 1.00 0.00 C ATOM 1223 CG ARG A 83 2.569 16.314 -7.109 1.00 0.00 C ATOM 1224 CD ARG A 83 3.919 16.842 -7.599 1.00 0.00 C ATOM 1225 NE ARG A 83 4.030 16.666 -9.064 1.00 0.00 N ATOM 1226 CZ ARG A 83 4.852 17.379 -9.846 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.640 18.320 -9.308 1.00 0.00 N ATOM 1228 NH2 ARG A 83 4.886 17.152 -11.166 1.00 0.00 N ATOM 0 H ARG A 83 0.278 15.370 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 83 0.145 16.280 -6.136 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.459 17.298 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.547 18.212 -7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.566 16.267 -6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.418 15.297 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.021 17.896 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.729 16.312 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 83 3.444 15.958 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.614 18.494 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.266 18.863 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.286 16.436 -11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.512 17.695 -11.761 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.930 17.554 -8.152 1.00 0.00 N ATOM 1243 CA LEU A 84 -2.997 18.522 -8.338 1.00 0.00 C ATOM 1244 C LEU A 84 -4.248 18.044 -7.599 1.00 0.00 C ATOM 1245 O LEU A 84 -4.806 18.772 -6.779 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.227 18.786 -9.828 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.583 18.349 -10.386 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.725 19.113 -9.713 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.619 18.487 -11.909 1.00 0.00 C ATOM 0 H LEU A 84 -1.977 16.743 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.719 19.483 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.109 19.854 -10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.444 18.278 -10.392 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.723 17.293 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.678 18.783 -10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.710 18.919 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.602 20.181 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.594 18.170 -12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.447 19.528 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.842 17.862 -12.349 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.653 16.822 -7.914 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.828 16.239 -7.290 1.00 0.00 C ATOM 1263 C ILE A 85 -5.706 16.360 -5.770 1.00 0.00 C ATOM 1264 O ILE A 85 -6.607 16.877 -5.110 1.00 0.00 O ATOM 1265 CB ILE A 85 -6.037 14.803 -7.778 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.155 14.754 -9.303 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.241 14.160 -7.088 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.689 13.402 -9.845 1.00 0.00 C ATOM 0 H ILE A 85 -4.188 16.220 -8.593 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.725 16.785 -7.583 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.159 14.217 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.190 14.931 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.557 15.552 -9.744 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.368 13.141 -7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.076 14.143 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.138 14.738 -7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.783 13.393 -10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.647 13.239 -9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.304 12.608 -9.421 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.584 15.875 -5.258 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.333 15.922 -3.828 1.00 0.00 C ATOM 1282 C ILE A 86 -4.331 17.380 -3.363 1.00 0.00 C ATOM 1283 O ILE A 86 -4.566 17.661 -2.189 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.048 15.166 -3.484 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.817 15.907 -4.010 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.109 13.724 -3.992 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.625 14.959 -4.151 1.00 0.00 C ATOM 0 H ILE A 86 -3.839 15.448 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.130 15.414 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.957 15.123 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.044 16.357 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.561 16.721 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.184 13.208 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.952 13.210 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.235 13.725 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.237 15.511 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.385 14.529 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.876 14.160 -4.849 1.00 0.00 H new ATOM 1299 N GLY A 87 -4.062 18.269 -4.308 1.00 0.00 N ATOM 1300 CA GLY A 87 -4.026 19.690 -4.010 1.00 0.00 C ATOM 1301 C GLY A 87 -5.417 20.314 -4.144 1.00 0.00 C ATOM 1302 O GLY A 87 -5.560 21.535 -4.110 1.00 0.00 O ATOM 0 H GLY A 87 -3.867 18.032 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.651 19.844 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.333 20.190 -4.687 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.407 19.447 -4.294 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.782 19.897 -4.433 1.00 0.00 C ATOM 1308 C GLN A 88 -8.232 20.628 -3.166 1.00 0.00 C ATOM 1309 O GLN A 88 -7.432 20.858 -2.261 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.713 18.725 -4.750 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.509 18.235 -6.185 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.615 18.757 -7.105 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.754 18.939 -6.707 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.217 18.986 -8.353 1.00 0.00 N ATOM 0 H GLN A 88 -6.285 18.435 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.833 20.595 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.526 17.908 -4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.750 19.031 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.538 18.568 -6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.500 17.145 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.248 18.812 -8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.881 19.336 -9.044 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.511 20.973 -3.143 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.077 21.673 -2.003 1.00 0.00 C ATOM 1325 C GLN A 89 -11.379 21.001 -1.560 1.00 0.00 C ATOM 1326 O GLN A 89 -12.336 20.928 -2.329 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.305 23.151 -2.325 1.00 0.00 C ATOM 1328 CG GLN A 89 -9.144 23.719 -3.144 1.00 0.00 C ATOM 1329 CD GLN A 89 -9.548 23.909 -4.608 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -9.937 24.983 -5.037 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.434 22.810 -5.348 1.00 0.00 N ATOM 0 H GLN A 89 -10.171 20.781 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.365 21.620 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.236 23.267 -2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.413 23.716 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.830 24.674 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.288 23.047 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.102 21.943 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.679 22.834 -6.338 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.372 20.528 -0.323 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.540 19.865 0.231 1.00 0.00 C ATOM 1342 C CYS A 90 -12.308 19.655 1.729 1.00 0.00 C ATOM 1343 O CYS A 90 -11.322 19.037 2.127 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.839 18.549 -0.490 1.00 0.00 C ATOM 1345 SG CYS A 90 -14.383 18.704 -1.460 1.00 0.00 S ATOM 0 H CYS A 90 -10.576 20.591 0.312 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.420 20.491 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -12.010 18.289 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.935 17.741 0.235 1.00 0.00 H new ATOM 0 HG CYS A 90 -14.278 19.702 -2.286 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.233 20.182 2.518 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.142 20.060 3.963 1.00 0.00 C ATOM 1353 C ASP A 91 -12.785 18.617 4.327 1.00 0.00 C ATOM 1354 O ASP A 91 -11.842 18.379 5.080 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.477 20.399 4.630 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.845 21.884 4.620 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -15.374 22.331 3.580 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -14.590 22.539 5.654 1.00 0.00 O ATOM 0 H ASP A 91 -14.049 20.694 2.184 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.378 20.754 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.268 19.840 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.448 20.054 5.664 1.00 0.00 H new ATOM 1363 N THR A 92 -13.557 17.693 3.776 1.00 0.00 N ATOM 1364 CA THR A 92 -13.333 16.280 4.033 1.00 0.00 C ATOM 1365 C THR A 92 -13.207 15.512 2.716 1.00 0.00 C ATOM 1366 O THR A 92 -14.147 15.473 1.923 1.00 0.00 O ATOM 1367 CB THR A 92 -14.471 15.776 4.924 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.452 16.658 6.043 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.177 14.402 5.527 1.00 0.00 C ATOM 0 H THR A 92 -14.339 17.894 3.152 1.00 0.00 H new ATOM 0 HA THR A 92 -12.392 16.118 4.559 1.00 0.00 H new ATOM 0 HB THR A 92 -15.392 15.728 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.160 16.404 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.016 14.091 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.031 13.677 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.274 14.457 6.135 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.038 14.919 2.524 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.777 14.153 1.317 1.00 0.00 C ATOM 1379 C ILE A 93 -11.250 12.769 1.700 1.00 0.00 C ATOM 1380 O ILE A 93 -10.475 12.635 2.646 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.846 14.928 0.382 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.080 13.978 -0.541 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.905 15.838 1.176 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.755 13.548 0.091 1.00 0.00 C ATOM 0 H ILE A 93 -11.261 14.953 3.184 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.699 13.999 0.757 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.457 15.570 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.689 13.099 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.889 14.468 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.254 16.377 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.491 16.551 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.299 15.234 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.231 12.873 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.138 14.427 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.950 13.037 1.034 1.00 0.00 H new ATOM 1396 N THR A 94 -11.692 11.773 0.946 1.00 0.00 N ATOM 1397 CA THR A 94 -11.275 10.404 1.195 1.00 0.00 C ATOM 1398 C THR A 94 -10.136 10.013 0.251 1.00 0.00 C ATOM 1399 O THR A 94 -10.007 10.572 -0.837 1.00 0.00 O ATOM 1400 CB THR A 94 -12.506 9.504 1.066 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.452 10.079 1.964 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.266 8.100 1.626 1.00 0.00 C ATOM 0 H THR A 94 -12.335 11.887 0.162 1.00 0.00 H new ATOM 0 HA THR A 94 -10.874 10.290 2.202 1.00 0.00 H new ATOM 0 HB THR A 94 -12.795 9.432 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.282 9.558 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.170 7.502 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.447 7.627 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.010 8.169 2.683 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.338 9.057 0.703 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.214 8.585 -0.087 1.00 0.00 C ATOM 1412 C ILE A 95 -8.180 7.056 -0.057 1.00 0.00 C ATOM 1413 O ILE A 95 -8.489 6.445 0.965 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.914 9.238 0.387 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -7.002 10.763 0.297 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.711 8.688 -0.382 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.764 11.421 0.908 1.00 0.00 C ATOM 0 H ILE A 95 -9.448 8.596 1.606 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.331 8.881 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.768 8.984 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.101 11.064 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.896 11.110 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.800 9.169 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.639 7.612 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.836 8.891 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.852 12.505 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.682 11.137 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.874 11.091 0.372 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.801 6.481 -1.189 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.723 5.035 -1.304 1.00 0.00 C ATOM 1431 C LEU A 96 -6.256 4.614 -1.409 1.00 0.00 C ATOM 1432 O LEU A 96 -5.619 4.823 -2.441 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.589 4.543 -2.466 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.411 3.279 -2.202 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.685 2.522 -3.502 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -8.733 2.393 -1.154 1.00 0.00 C ATOM 0 H LEU A 96 -7.545 6.991 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.128 4.559 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.272 5.344 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.941 4.359 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.377 3.578 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.271 1.628 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.241 3.163 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.739 2.234 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.337 1.502 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.745 2.100 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.633 2.946 -0.220 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.762 4.030 -0.328 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.382 3.578 -0.285 1.00 0.00 C ATOM 1450 C ALA A 97 -4.351 2.049 -0.249 1.00 0.00 C ATOM 1451 O ALA A 97 -5.366 1.410 0.022 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.676 4.204 0.920 1.00 0.00 C ATOM 0 H ALA A 97 -6.293 3.859 0.526 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.846 3.898 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.641 3.865 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.699 5.290 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.185 3.904 1.836 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.175 1.506 -0.527 1.00 0.00 N ATOM 1459 CA GLN A 98 -2.998 0.064 -0.530 1.00 0.00 C ATOM 1460 C GLN A 98 -1.532 -0.292 -0.275 1.00 0.00 C ATOM 1461 O GLN A 98 -0.799 -0.622 -1.206 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.490 -0.546 -1.844 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.816 -2.031 -1.671 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.230 -2.660 -3.002 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.292 -2.010 -4.033 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.510 -3.958 -2.924 1.00 0.00 N ATOM 0 H GLN A 98 -2.335 2.039 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.599 -0.358 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.377 -0.013 -2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.728 -0.425 -2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.947 -2.554 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.619 -2.148 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.438 -4.442 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.797 -4.469 -3.759 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.147 -0.212 0.990 1.00 0.00 N ATOM 1476 CA TYR A 99 0.218 -0.521 1.379 1.00 0.00 C ATOM 1477 C TYR A 99 0.692 -1.821 0.726 1.00 0.00 C ATOM 1478 O TYR A 99 0.048 -2.860 0.864 1.00 0.00 O ATOM 1479 CB TYR A 99 0.193 -0.706 2.897 1.00 0.00 C ATOM 1480 CG TYR A 99 1.556 -1.041 3.506 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.104 -2.294 3.324 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.238 -0.089 4.237 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.387 -2.610 3.897 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.520 -0.405 4.810 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.032 -1.649 4.612 1.00 0.00 C ATOM 1486 OH TYR A 99 5.243 -1.947 5.153 1.00 0.00 O ATOM 0 H TYR A 99 -1.757 0.063 1.760 1.00 0.00 H new ATOM 0 HA TYR A 99 0.896 0.274 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.185 0.207 3.358 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.509 -1.502 3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.571 -3.038 2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.810 0.892 4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.827 -3.587 3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.064 0.330 5.385 1.00 0.00 H new ATOM 0 HH TYR A 99 5.587 -1.166 5.635 1.00 0.00 H new ATOM 1496 N ASN A 100 1.815 -1.722 0.031 1.00 0.00 N ATOM 1497 CA ASN A 100 2.384 -2.877 -0.643 1.00 0.00 C ATOM 1498 C ASN A 100 3.813 -3.100 -0.146 1.00 0.00 C ATOM 1499 O ASN A 100 4.689 -2.266 -0.369 1.00 0.00 O ATOM 1500 CB ASN A 100 2.438 -2.660 -2.157 1.00 0.00 C ATOM 1501 CG ASN A 100 1.276 -3.370 -2.854 1.00 0.00 C ATOM 1502 OD1 ASN A 100 0.349 -3.860 -2.230 1.00 0.00 O ATOM 1503 ND2 ASN A 100 1.377 -3.397 -4.180 1.00 0.00 N ATOM 0 H ASN A 100 2.347 -0.859 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 100 1.754 -3.739 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.401 -1.593 -2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.384 -3.034 -2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.651 -3.847 -4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.180 -2.967 -4.639 1.00 0.00 H new ATOM 1510 N PRO A 101 4.010 -4.260 0.537 1.00 0.00 N ATOM 1511 CA PRO A 101 5.318 -4.603 1.068 1.00 0.00 C ATOM 1512 C PRO A 101 6.260 -5.060 -0.048 1.00 0.00 C ATOM 1513 O PRO A 101 6.835 -6.145 0.026 1.00 0.00 O ATOM 1514 CB PRO A 101 5.051 -5.686 2.101 1.00 0.00 C ATOM 1515 CG PRO A 101 3.671 -6.236 1.782 1.00 0.00 C ATOM 1516 CD PRO A 101 2.996 -5.271 0.821 1.00 0.00 C ATOM 0 HA PRO A 101 5.824 -3.752 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.806 -6.471 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.085 -5.279 3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.749 -7.227 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.082 -6.342 2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.676 -5.778 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.107 -4.825 1.267 1.00 0.00 H new