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 176:sc= -3.82! USER MOD Set 1.2: A 81 GLN : amide:sc= -2.37! K(o=-6.2!,f=0.58) USER MOD Set 2.1: A 35 SER OG : rot 144:sc= 0.939 USER MOD Set 2.2: A 47 SER OG : rot -143:sc= -0.423 USER MOD Single : A 22 HIS : no HD1:sc= -3.44 K(o=-3.4,f=-5.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -1.63 (180deg=-2.26!) USER MOD Single : A 29 SER OG : rot 45:sc= 0.156 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 USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -7.4! C(o=-7.4!,f=-6.1!) USER MOD Single : A 57 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.06) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 70 ASN : amide:sc= -3.9 X(o=-3.9,f=-4.2!) USER MOD Single : A 73 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.5) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.23) USER MOD Single : A 88 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.8!) USER MOD Single : A 89 GLN : amide:sc= -1.98! C(o=-2!,f=-2!) USER MOD Single : A 90 CYS SG : rot 73:sc= -0.906 USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00445 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 98 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.892 K(o=-0.89,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.922 -9.295 -0.085 1.00 0.00 N ATOM 230 CA VAL A 17 -1.386 -7.973 0.191 1.00 0.00 C ATOM 231 C VAL A 17 -2.318 -7.240 1.158 1.00 0.00 C ATOM 232 O VAL A 17 -3.299 -7.810 1.632 1.00 0.00 O ATOM 233 CB VAL A 17 -1.165 -7.213 -1.119 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.210 -7.529 -1.711 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.278 -7.519 -2.123 1.00 0.00 C ATOM 0 HA VAL A 17 -0.412 -8.050 0.674 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.197 -6.146 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.341 -6.976 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.986 -7.238 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.283 -8.598 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.098 -6.967 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.292 -8.588 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.239 -7.221 -1.703 1.00 0.00 H new ATOM 245 N GLU A 18 -1.979 -5.987 1.421 1.00 0.00 N ATOM 246 CA GLU A 18 -2.773 -5.170 2.323 1.00 0.00 C ATOM 247 C GLU A 18 -3.994 -4.607 1.592 1.00 0.00 C ATOM 248 O GLU A 18 -3.883 -3.632 0.850 1.00 0.00 O ATOM 249 CB GLU A 18 -1.931 -4.046 2.930 1.00 0.00 C ATOM 250 CG GLU A 18 -0.605 -4.585 3.471 1.00 0.00 C ATOM 251 CD GLU A 18 -0.711 -4.905 4.963 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.822 -3.935 5.745 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.679 -6.111 5.289 1.00 0.00 O ATOM 0 H GLU A 18 -1.165 -5.517 1.025 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.122 -5.800 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.737 -3.284 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.487 -3.564 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.322 -5.483 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.184 -3.851 3.308 1.00 0.00 H new ATOM 260 N GLU A 19 -5.131 -5.244 1.827 1.00 0.00 N ATOM 261 CA GLU A 19 -6.371 -4.819 1.201 1.00 0.00 C ATOM 262 C GLU A 19 -6.438 -3.292 1.138 1.00 0.00 C ATOM 263 O GLU A 19 -5.786 -2.606 1.924 1.00 0.00 O ATOM 264 CB GLU A 19 -7.583 -5.391 1.940 1.00 0.00 C ATOM 265 CG GLU A 19 -7.790 -6.867 1.594 1.00 0.00 C ATOM 266 CD GLU A 19 -8.639 -7.020 0.331 1.00 0.00 C ATOM 267 OE1 GLU A 19 -8.187 -6.519 -0.721 1.00 0.00 O ATOM 268 OE2 GLU A 19 -9.722 -7.634 0.446 1.00 0.00 O ATOM 0 H GLU A 19 -5.220 -6.052 2.443 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.392 -5.206 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.442 -5.282 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.475 -4.823 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.823 -7.349 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.276 -7.375 2.427 1.00 0.00 H new ATOM 275 N PRO A 20 -7.252 -2.792 0.170 1.00 0.00 N ATOM 276 CA PRO A 20 -7.412 -1.358 -0.006 1.00 0.00 C ATOM 277 C PRO A 20 -8.296 -0.766 1.093 1.00 0.00 C ATOM 278 O PRO A 20 -9.427 -1.209 1.289 1.00 0.00 O ATOM 279 CB PRO A 20 -8.003 -1.196 -1.397 1.00 0.00 C ATOM 280 CG PRO A 20 -8.583 -2.553 -1.764 1.00 0.00 C ATOM 281 CD PRO A 20 -8.038 -3.574 -0.779 1.00 0.00 C ATOM 0 HA PRO A 20 -6.470 -0.816 0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.774 -0.426 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.240 -0.891 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.672 -2.527 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.309 -2.822 -2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.844 -4.110 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.423 -4.320 -1.282 1.00 0.00 H new ATOM 289 N ARG A 21 -7.748 0.225 1.779 1.00 0.00 N ATOM 290 CA ARG A 21 -8.474 0.882 2.853 1.00 0.00 C ATOM 291 C ARG A 21 -8.981 2.250 2.392 1.00 0.00 C ATOM 292 O ARG A 21 -8.629 2.713 1.308 1.00 0.00 O ATOM 293 CB ARG A 21 -7.587 1.065 4.086 1.00 0.00 C ATOM 294 CG ARG A 21 -6.453 2.053 3.805 1.00 0.00 C ATOM 295 CD ARG A 21 -5.093 1.353 3.843 1.00 0.00 C ATOM 296 NE ARG A 21 -4.667 1.152 5.246 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.626 0.392 5.613 1.00 0.00 C ATOM 298 NH1 ARG A 21 -2.899 -0.242 4.684 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.312 0.267 6.910 1.00 0.00 N ATOM 0 H ARG A 21 -6.810 0.589 1.613 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.319 0.247 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.189 1.425 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.170 0.103 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.601 2.514 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.474 2.855 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.155 0.392 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.352 1.950 3.311 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.199 1.621 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.138 -0.146 3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.107 -0.820 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.865 0.750 7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.520 -0.311 7.189 1.00 0.00 H new ATOM 313 N HIS A 22 -9.800 2.858 3.237 1.00 0.00 N ATOM 314 CA HIS A 22 -10.360 4.163 2.930 1.00 0.00 C ATOM 315 C HIS A 22 -10.011 5.148 4.048 1.00 0.00 C ATOM 316 O HIS A 22 -10.799 5.350 4.970 1.00 0.00 O ATOM 317 CB HIS A 22 -11.865 4.063 2.676 1.00 0.00 C ATOM 318 CG HIS A 22 -12.239 3.108 1.568 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.768 1.807 1.509 1.00 0.00 N ATOM 320 CD2 HIS A 22 -13.043 3.276 0.480 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.272 1.229 0.429 1.00 0.00 C ATOM 322 NE2 HIS A 22 -13.061 2.141 -0.208 1.00 0.00 N ATOM 0 H HIS A 22 -10.090 2.471 4.135 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.920 4.543 2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.358 3.747 3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.249 5.054 2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.575 4.180 0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.090 0.214 0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.580 1.978 -1.071 1.00 0.00 H new ATOM 330 N VAL A 23 -8.829 5.734 3.929 1.00 0.00 N ATOM 331 CA VAL A 23 -8.366 6.692 4.918 1.00 0.00 C ATOM 332 C VAL A 23 -9.028 8.047 4.659 1.00 0.00 C ATOM 333 O VAL A 23 -8.856 8.631 3.590 1.00 0.00 O ATOM 334 CB VAL A 23 -6.837 6.762 4.905 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.335 7.956 5.719 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.225 5.455 5.413 1.00 0.00 C ATOM 0 H VAL A 23 -8.178 5.564 3.163 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.655 6.375 5.920 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.517 6.903 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.246 7.982 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.730 8.878 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.671 7.860 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.138 5.531 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.558 5.270 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.543 4.632 4.773 1.00 0.00 H new ATOM 346 N LYS A 24 -9.772 8.507 5.655 1.00 0.00 N ATOM 347 CA LYS A 24 -10.460 9.781 5.547 1.00 0.00 C ATOM 348 C LYS A 24 -9.481 10.913 5.865 1.00 0.00 C ATOM 349 O LYS A 24 -8.442 10.685 6.482 1.00 0.00 O ATOM 350 CB LYS A 24 -11.714 9.788 6.424 1.00 0.00 C ATOM 351 CG LYS A 24 -12.921 9.239 5.660 1.00 0.00 C ATOM 352 CD LYS A 24 -14.122 9.057 6.590 1.00 0.00 C ATOM 353 CE LYS A 24 -15.436 9.129 5.809 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.554 8.609 6.627 1.00 0.00 N ATOM 0 H LYS A 24 -9.913 8.020 6.540 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.811 9.940 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.541 9.188 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.922 10.804 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.184 9.920 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.663 8.284 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.050 8.096 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.110 9.828 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.638 10.160 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.351 8.551 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.438 8.665 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.366 7.618 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.644 9.178 7.493 1.00 0.00 H new ATOM 368 N VAL A 25 -9.848 12.110 5.430 1.00 0.00 N ATOM 369 CA VAL A 25 -9.016 13.278 5.660 1.00 0.00 C ATOM 370 C VAL A 25 -9.894 14.441 6.127 1.00 0.00 C ATOM 371 O VAL A 25 -10.967 14.674 5.573 1.00 0.00 O ATOM 372 CB VAL A 25 -8.211 13.604 4.400 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.211 14.731 4.665 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.504 12.358 3.864 1.00 0.00 C ATOM 0 H VAL A 25 -10.711 12.296 4.919 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.291 13.081 6.450 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.908 13.948 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.652 14.943 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.747 15.627 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.521 14.427 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.939 12.617 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.824 11.971 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.245 11.597 3.618 1.00 0.00 H new ATOM 384 N GLN A 26 -9.405 15.140 7.140 1.00 0.00 N ATOM 385 CA GLN A 26 -10.131 16.273 7.687 1.00 0.00 C ATOM 386 C GLN A 26 -9.390 17.577 7.383 1.00 0.00 C ATOM 387 O GLN A 26 -8.855 18.216 8.288 1.00 0.00 O ATOM 388 CB GLN A 26 -10.354 16.107 9.192 1.00 0.00 C ATOM 389 CG GLN A 26 -11.824 15.814 9.500 1.00 0.00 C ATOM 390 CD GLN A 26 -12.260 16.502 10.795 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.478 16.723 11.705 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.550 16.826 10.828 1.00 0.00 N ATOM 0 H GLN A 26 -8.514 14.944 7.597 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.110 16.315 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.731 15.295 9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.044 17.014 9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.448 16.156 8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.974 14.738 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.150 16.612 10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.939 17.288 11.650 1.00 0.00 H new ATOM 401 N LYS A 27 -9.381 17.931 6.107 1.00 0.00 N ATOM 402 CA LYS A 27 -8.714 19.147 5.672 1.00 0.00 C ATOM 403 C LYS A 27 -9.288 20.340 6.438 1.00 0.00 C ATOM 404 O LYS A 27 -8.696 20.800 7.413 1.00 0.00 O ATOM 405 CB LYS A 27 -8.801 19.292 4.152 1.00 0.00 C ATOM 406 CG LYS A 27 -7.413 19.486 3.538 1.00 0.00 C ATOM 407 CD LYS A 27 -6.832 18.152 3.065 1.00 0.00 C ATOM 408 CE LYS A 27 -6.522 18.191 1.567 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.314 17.169 0.847 1.00 0.00 N ATOM 0 H LYS A 27 -9.825 17.397 5.360 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.650 19.101 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.270 18.406 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.436 20.142 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.476 20.178 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.746 19.937 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.923 17.929 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.539 17.349 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.746 19.181 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.458 18.016 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.793 16.858 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.479 16.354 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.227 17.576 0.561 1.00 0.00 H new ATOM 423 N GLY A 28 -10.435 20.808 5.968 1.00 0.00 N ATOM 424 CA GLY A 28 -11.095 21.940 6.596 1.00 0.00 C ATOM 425 C GLY A 28 -10.728 23.249 5.894 1.00 0.00 C ATOM 426 O GLY A 28 -11.566 23.859 5.233 1.00 0.00 O ATOM 0 H GLY A 28 -10.924 20.424 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.175 21.798 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.810 21.995 7.647 1.00 0.00 H new ATOM 430 N SER A 29 -9.473 23.640 6.061 1.00 0.00 N ATOM 431 CA SER A 29 -8.984 24.866 5.452 1.00 0.00 C ATOM 432 C SER A 29 -7.454 24.866 5.433 1.00 0.00 C ATOM 433 O SER A 29 -6.828 25.910 5.611 1.00 0.00 O ATOM 434 CB SER A 29 -9.507 26.097 6.195 1.00 0.00 C ATOM 435 OG SER A 29 -10.599 26.708 5.514 1.00 0.00 O ATOM 0 H SER A 29 -8.780 23.130 6.609 1.00 0.00 H new ATOM 0 HA SER A 29 -9.353 24.911 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.821 25.809 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.700 26.821 6.309 1.00 0.00 H new ATOM 0 HG SER A 29 -11.228 26.017 5.219 1.00 0.00 H new ATOM 441 N GLU A 30 -6.896 23.684 5.216 1.00 0.00 N ATOM 442 CA GLU A 30 -5.452 23.536 5.172 1.00 0.00 C ATOM 443 C GLU A 30 -5.051 22.583 4.045 1.00 0.00 C ATOM 444 O GLU A 30 -5.878 21.821 3.547 1.00 0.00 O ATOM 445 CB GLU A 30 -4.909 23.052 6.518 1.00 0.00 C ATOM 446 CG GLU A 30 -4.599 24.232 7.441 1.00 0.00 C ATOM 447 CD GLU A 30 -3.116 24.605 7.374 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.322 23.893 8.026 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.811 25.594 6.673 1.00 0.00 O ATOM 0 H GLU A 30 -7.418 22.820 5.069 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.012 24.513 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.638 22.396 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.006 22.463 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.207 25.091 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.868 23.977 8.466 1.00 0.00 H new ATOM 456 N PRO A 31 -3.747 22.658 3.665 1.00 0.00 N ATOM 457 CA PRO A 31 -3.226 21.811 2.605 1.00 0.00 C ATOM 458 C PRO A 31 -3.036 20.374 3.095 1.00 0.00 C ATOM 459 O PRO A 31 -3.239 20.084 4.273 1.00 0.00 O ATOM 460 CB PRO A 31 -1.924 22.470 2.180 1.00 0.00 C ATOM 461 CG PRO A 31 -1.531 23.393 3.321 1.00 0.00 C ATOM 462 CD PRO A 31 -2.738 23.548 4.232 1.00 0.00 C ATOM 0 HA PRO A 31 -3.909 21.726 1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.150 21.724 1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.054 23.029 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.687 22.980 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.216 24.363 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.498 23.271 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.088 24.580 4.254 1.00 0.00 H new ATOM 470 N LEU A 32 -2.650 19.512 2.166 1.00 0.00 N ATOM 471 CA LEU A 32 -2.430 18.112 2.488 1.00 0.00 C ATOM 472 C LEU A 32 -1.053 17.952 3.134 1.00 0.00 C ATOM 473 O LEU A 32 -0.938 17.413 4.234 1.00 0.00 O ATOM 474 CB LEU A 32 -2.634 17.239 1.249 1.00 0.00 C ATOM 475 CG LEU A 32 -2.859 15.748 1.509 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.120 15.522 2.345 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.892 14.962 0.197 1.00 0.00 C ATOM 0 H LEU A 32 -2.484 19.756 1.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.165 17.768 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.490 17.624 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.762 17.348 0.605 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.017 15.371 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.257 14.454 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.018 16.032 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.985 15.918 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.053 13.905 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.703 15.334 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.944 15.086 -0.326 1.00 0.00 H new ATOM 489 N GLY A 33 -0.042 18.429 2.423 1.00 0.00 N ATOM 490 CA GLY A 33 1.323 18.345 2.914 1.00 0.00 C ATOM 491 C GLY A 33 1.874 16.926 2.762 1.00 0.00 C ATOM 492 O GLY A 33 2.112 16.239 3.754 1.00 0.00 O ATOM 0 H GLY A 33 -0.141 18.875 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.954 19.045 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.355 18.641 3.963 1.00 0.00 H new ATOM 496 N ILE A 34 2.061 16.528 1.512 1.00 0.00 N ATOM 497 CA ILE A 34 2.579 15.203 1.218 1.00 0.00 C ATOM 498 C ILE A 34 3.317 15.235 -0.122 1.00 0.00 C ATOM 499 O ILE A 34 3.123 16.151 -0.920 1.00 0.00 O ATOM 500 CB ILE A 34 1.458 14.164 1.278 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.367 14.474 0.251 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.895 14.046 2.695 1.00 0.00 C ATOM 503 CD1 ILE A 34 0.188 13.312 -0.727 1.00 0.00 C ATOM 0 H ILE A 34 1.863 17.100 0.691 1.00 0.00 H new ATOM 0 HA ILE A 34 3.303 14.900 1.974 1.00 0.00 H new ATOM 0 HB ILE A 34 1.878 13.193 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.575 14.671 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.626 15.379 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.100 13.301 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.689 13.743 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.495 15.010 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.593 13.559 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.124 13.134 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.095 12.414 -0.177 1.00 0.00 H new ATOM 515 N SER A 35 4.148 14.224 -0.328 1.00 0.00 N ATOM 516 CA SER A 35 4.916 14.125 -1.557 1.00 0.00 C ATOM 517 C SER A 35 4.491 12.881 -2.341 1.00 0.00 C ATOM 518 O SER A 35 4.197 11.842 -1.752 1.00 0.00 O ATOM 519 CB SER A 35 6.418 14.081 -1.267 1.00 0.00 C ATOM 520 OG SER A 35 7.194 14.410 -2.416 1.00 0.00 O ATOM 0 H SER A 35 4.306 13.466 0.336 1.00 0.00 H new ATOM 0 HA SER A 35 4.715 15.012 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.652 14.776 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.691 13.085 -0.918 1.00 0.00 H new ATOM 0 HG SER A 35 7.986 14.918 -2.141 1.00 0.00 H new ATOM 526 N ILE A 36 4.471 13.029 -3.658 1.00 0.00 N ATOM 527 CA ILE A 36 4.086 11.931 -4.528 1.00 0.00 C ATOM 528 C ILE A 36 5.091 11.820 -5.677 1.00 0.00 C ATOM 529 O ILE A 36 5.664 12.822 -6.104 1.00 0.00 O ATOM 530 CB ILE A 36 2.638 12.098 -4.992 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.467 13.380 -5.809 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.672 12.040 -3.807 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.677 13.113 -7.301 1.00 0.00 C ATOM 0 H ILE A 36 4.715 13.892 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 36 4.116 10.986 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 36 2.392 11.264 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.470 13.789 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.179 14.131 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.650 12.161 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.769 11.077 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.908 12.840 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.550 14.041 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.684 12.727 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.948 12.380 -7.646 1.00 0.00 H new ATOM 545 N VAL A 37 5.274 10.594 -6.144 1.00 0.00 N ATOM 546 CA VAL A 37 6.200 10.340 -7.234 1.00 0.00 C ATOM 547 C VAL A 37 5.545 9.394 -8.243 1.00 0.00 C ATOM 548 O VAL A 37 4.737 8.545 -7.869 1.00 0.00 O ATOM 549 CB VAL A 37 7.523 9.803 -6.683 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.978 10.611 -5.466 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.413 8.316 -6.344 1.00 0.00 C ATOM 0 H VAL A 37 4.797 9.766 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 37 6.434 11.266 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 37 8.279 9.914 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.920 10.209 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.116 11.654 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.222 10.547 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.367 7.960 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.637 8.171 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.156 7.756 -7.243 1.00 0.00 H new ATOM 561 N SER A 38 5.919 9.572 -9.502 1.00 0.00 N ATOM 562 CA SER A 38 5.378 8.745 -10.567 1.00 0.00 C ATOM 563 C SER A 38 6.384 7.656 -10.947 1.00 0.00 C ATOM 564 O SER A 38 7.593 7.874 -10.882 1.00 0.00 O ATOM 565 CB SER A 38 5.021 9.588 -11.792 1.00 0.00 C ATOM 566 OG SER A 38 4.501 8.794 -12.855 1.00 0.00 O ATOM 0 H SER A 38 6.590 10.277 -9.808 1.00 0.00 H new ATOM 0 HA SER A 38 4.464 8.275 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.287 10.343 -11.511 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.908 10.119 -12.137 1.00 0.00 H new ATOM 0 HG SER A 38 4.284 9.370 -13.618 1.00 0.00 H new ATOM 572 N GLY A 39 5.848 6.509 -11.335 1.00 0.00 N ATOM 573 CA GLY A 39 6.684 5.386 -11.725 1.00 0.00 C ATOM 574 C GLY A 39 6.451 5.012 -13.190 1.00 0.00 C ATOM 575 O GLY A 39 5.319 5.047 -13.671 1.00 0.00 O ATOM 0 H GLY A 39 4.845 6.332 -11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.733 5.639 -11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.467 4.528 -11.088 1.00 0.00 H new ATOM 623 N GLY A 43 1.345 4.719 -12.008 1.00 0.00 N ATOM 624 CA GLY A 43 0.802 4.854 -10.667 1.00 0.00 C ATOM 625 C GLY A 43 1.512 5.970 -9.898 1.00 0.00 C ATOM 626 O GLY A 43 2.489 6.539 -10.383 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.265 5.068 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.911 3.912 -10.130 1.00 0.00 H new ATOM 630 N ILE A 44 0.994 6.249 -8.711 1.00 0.00 N ATOM 631 CA ILE A 44 1.567 7.286 -7.870 1.00 0.00 C ATOM 632 C ILE A 44 1.904 6.696 -6.499 1.00 0.00 C ATOM 633 O ILE A 44 1.133 5.911 -5.950 1.00 0.00 O ATOM 634 CB ILE A 44 0.636 8.498 -7.805 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.346 9.042 -9.206 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.202 9.575 -6.877 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.552 9.807 -9.757 1.00 0.00 C ATOM 0 H ILE A 44 0.184 5.775 -8.312 1.00 0.00 H new ATOM 0 HA ILE A 44 2.500 7.652 -8.299 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.315 8.176 -7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.096 8.219 -9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.522 9.700 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.521 10.426 -6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.315 9.167 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.174 9.901 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.320 10.183 -10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.784 10.644 -9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.412 9.140 -9.812 1.00 0.00 H new ATOM 649 N TYR A 45 3.058 7.097 -5.986 1.00 0.00 N ATOM 650 CA TYR A 45 3.507 6.618 -4.689 1.00 0.00 C ATOM 651 C TYR A 45 3.903 7.784 -3.781 1.00 0.00 C ATOM 652 O TYR A 45 4.496 8.759 -4.239 1.00 0.00 O ATOM 653 CB TYR A 45 4.743 5.758 -4.962 1.00 0.00 C ATOM 654 CG TYR A 45 4.476 4.556 -5.870 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.491 4.710 -7.242 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.221 3.317 -5.318 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.240 3.578 -8.096 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.970 2.186 -6.172 1.00 0.00 C ATOM 659 CZ TYR A 45 3.992 2.372 -7.519 1.00 0.00 C ATOM 660 OH TYR A 45 3.755 1.303 -8.326 1.00 0.00 O ATOM 0 H TYR A 45 3.696 7.748 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 45 2.713 6.063 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.513 6.381 -5.418 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.142 5.402 -4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.691 5.679 -7.675 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.210 3.196 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.249 3.685 -9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.769 1.211 -5.752 1.00 0.00 H new ATOM 0 HH TYR A 45 3.595 0.508 -7.777 1.00 0.00 H new ATOM 670 N VAL A 46 3.557 7.645 -2.509 1.00 0.00 N ATOM 671 CA VAL A 46 3.869 8.674 -1.532 1.00 0.00 C ATOM 672 C VAL A 46 5.386 8.758 -1.352 1.00 0.00 C ATOM 673 O VAL A 46 6.035 7.757 -1.053 1.00 0.00 O ATOM 674 CB VAL A 46 3.126 8.396 -0.224 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.581 9.353 0.880 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.611 8.474 -0.427 1.00 0.00 C ATOM 0 H VAL A 46 3.064 6.835 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 46 3.529 9.649 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 46 3.371 7.381 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.037 9.134 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.650 9.228 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.380 10.380 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.106 8.272 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.342 9.471 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.304 7.735 -1.167 1.00 0.00 H new ATOM 686 N SER A 47 5.906 9.961 -1.541 1.00 0.00 N ATOM 687 CA SER A 47 7.335 10.189 -1.403 1.00 0.00 C ATOM 688 C SER A 47 7.653 10.671 0.013 1.00 0.00 C ATOM 689 O SER A 47 8.783 10.533 0.481 1.00 0.00 O ATOM 690 CB SER A 47 7.833 11.204 -2.434 1.00 0.00 C ATOM 691 OG SER A 47 8.546 12.277 -1.826 1.00 0.00 O ATOM 0 H SER A 47 5.364 10.789 -1.789 1.00 0.00 H new ATOM 0 HA SER A 47 7.851 9.246 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.479 10.702 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.984 11.602 -2.990 1.00 0.00 H new ATOM 0 HG SER A 47 8.344 13.112 -2.297 1.00 0.00 H new ATOM 697 N LYS A 48 6.638 11.229 0.657 1.00 0.00 N ATOM 698 CA LYS A 48 6.796 11.732 2.010 1.00 0.00 C ATOM 699 C LYS A 48 5.450 12.259 2.514 1.00 0.00 C ATOM 700 O LYS A 48 4.489 12.346 1.751 1.00 0.00 O ATOM 701 CB LYS A 48 7.922 12.767 2.069 1.00 0.00 C ATOM 702 CG LYS A 48 8.626 12.734 3.427 1.00 0.00 C ATOM 703 CD LYS A 48 10.099 12.352 3.272 1.00 0.00 C ATOM 704 CE LYS A 48 10.353 10.929 3.773 1.00 0.00 C ATOM 705 NZ LYS A 48 11.788 10.736 4.081 1.00 0.00 N ATOM 0 H LYS A 48 5.703 11.344 0.266 1.00 0.00 H new ATOM 0 HA LYS A 48 7.097 10.928 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.644 12.570 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.516 13.762 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.548 13.711 3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.128 12.019 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.390 12.430 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.721 13.053 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.755 10.739 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.037 10.209 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.943 9.765 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.352 10.897 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.079 11.410 4.818 1.00 0.00 H new ATOM 719 N VAL A 49 5.425 12.597 3.795 1.00 0.00 N ATOM 720 CA VAL A 49 4.214 13.113 4.409 1.00 0.00 C ATOM 721 C VAL A 49 4.589 14.054 5.556 1.00 0.00 C ATOM 722 O VAL A 49 5.139 13.618 6.566 1.00 0.00 O ATOM 723 CB VAL A 49 3.319 11.954 4.855 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.130 10.889 5.595 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.159 12.457 5.717 1.00 0.00 C ATOM 0 H VAL A 49 6.224 12.523 4.424 1.00 0.00 H new ATOM 0 HA VAL A 49 3.638 13.693 3.688 1.00 0.00 H new ATOM 0 HB VAL A 49 2.897 11.493 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.471 10.077 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.905 10.498 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.593 11.332 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.539 11.614 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.553 12.955 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.558 13.162 5.142 1.00 0.00 H new ATOM 735 N THR A 50 4.276 15.326 5.361 1.00 0.00 N ATOM 736 CA THR A 50 4.574 16.333 6.366 1.00 0.00 C ATOM 737 C THR A 50 3.949 15.947 7.708 1.00 0.00 C ATOM 738 O THR A 50 2.910 15.291 7.747 1.00 0.00 O ATOM 739 CB THR A 50 4.092 17.685 5.838 1.00 0.00 C ATOM 740 OG1 THR A 50 5.015 18.002 4.800 1.00 0.00 O ATOM 741 CG2 THR A 50 4.277 18.811 6.857 1.00 0.00 C ATOM 0 H THR A 50 3.819 15.683 4.522 1.00 0.00 H new ATOM 0 HA THR A 50 5.646 16.403 6.550 1.00 0.00 H new ATOM 0 HB THR A 50 3.040 17.613 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.775 18.864 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.919 19.749 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.710 18.582 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.334 18.906 7.107 1.00 0.00 H new ATOM 749 N VAL A 51 4.610 16.370 8.775 1.00 0.00 N ATOM 750 CA VAL A 51 4.133 16.077 10.116 1.00 0.00 C ATOM 751 C VAL A 51 3.267 17.238 10.610 1.00 0.00 C ATOM 752 O VAL A 51 3.628 18.402 10.440 1.00 0.00 O ATOM 753 CB VAL A 51 5.316 15.778 11.039 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.007 17.070 11.480 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.873 14.953 12.249 1.00 0.00 C ATOM 0 H VAL A 51 5.472 16.914 8.738 1.00 0.00 H new ATOM 0 HA VAL A 51 3.508 15.184 10.112 1.00 0.00 H new ATOM 0 HB VAL A 51 6.038 15.186 10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.844 16.829 12.135 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.374 17.604 10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.296 17.698 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.733 14.755 12.889 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.122 15.507 12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.448 14.009 11.909 1.00 0.00 H new ATOM 765 N GLY A 52 2.142 16.881 11.212 1.00 0.00 N ATOM 766 CA GLY A 52 1.223 17.879 11.731 1.00 0.00 C ATOM 767 C GLY A 52 0.212 18.302 10.663 1.00 0.00 C ATOM 768 O GLY A 52 -0.879 18.768 10.986 1.00 0.00 O ATOM 0 H GLY A 52 1.846 15.915 11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.696 17.478 12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.782 18.750 12.073 1.00 0.00 H new ATOM 772 N SER A 53 0.612 18.125 9.413 1.00 0.00 N ATOM 773 CA SER A 53 -0.245 18.482 8.295 1.00 0.00 C ATOM 774 C SER A 53 -1.444 17.534 8.231 1.00 0.00 C ATOM 775 O SER A 53 -1.400 16.434 8.779 1.00 0.00 O ATOM 776 CB SER A 53 0.528 18.450 6.976 1.00 0.00 C ATOM 777 OG SER A 53 0.669 19.749 6.407 1.00 0.00 O ATOM 0 H SER A 53 1.518 17.739 9.149 1.00 0.00 H new ATOM 0 HA SER A 53 -0.603 19.500 8.450 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.515 18.019 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.013 17.799 6.270 1.00 0.00 H new ATOM 0 HG SER A 53 1.502 19.792 5.893 1.00 0.00 H new ATOM 783 N ILE A 54 -2.487 17.996 7.557 1.00 0.00 N ATOM 784 CA ILE A 54 -3.696 17.202 7.414 1.00 0.00 C ATOM 785 C ILE A 54 -3.316 15.740 7.173 1.00 0.00 C ATOM 786 O ILE A 54 -3.689 14.862 7.949 1.00 0.00 O ATOM 787 CB ILE A 54 -4.598 17.791 6.326 1.00 0.00 C ATOM 788 CG1 ILE A 54 -5.049 19.206 6.694 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.783 16.867 6.038 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.998 19.184 7.894 1.00 0.00 C ATOM 0 H ILE A 54 -2.520 18.909 7.104 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.282 17.232 8.333 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.019 17.868 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.179 19.820 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.547 19.666 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.408 17.308 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.415 15.898 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.371 16.736 6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.304 20.202 8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.878 18.589 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.489 18.745 8.752 1.00 0.00 H new ATOM 802 N ALA A 55 -2.578 15.524 6.094 1.00 0.00 N ATOM 803 CA ALA A 55 -2.143 14.183 5.741 1.00 0.00 C ATOM 804 C ALA A 55 -1.797 13.412 7.016 1.00 0.00 C ATOM 805 O ALA A 55 -2.513 12.490 7.402 1.00 0.00 O ATOM 806 CB ALA A 55 -0.963 14.268 4.771 1.00 0.00 C ATOM 0 H ALA A 55 -2.270 16.255 5.453 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.942 13.641 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.637 13.262 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.270 14.799 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.140 14.803 5.245 1.00 0.00 H new ATOM 812 N HIS A 56 -0.697 13.818 7.634 1.00 0.00 N ATOM 813 CA HIS A 56 -0.247 13.176 8.858 1.00 0.00 C ATOM 814 C HIS A 56 -1.457 12.795 9.713 1.00 0.00 C ATOM 815 O HIS A 56 -1.640 11.626 10.050 1.00 0.00 O ATOM 816 CB HIS A 56 0.749 14.067 9.603 1.00 0.00 C ATOM 817 CG HIS A 56 1.933 13.322 10.172 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.024 12.967 11.507 1.00 0.00 N ATOM 819 CD2 HIS A 56 3.071 12.868 9.574 1.00 0.00 C ATOM 820 CE1 HIS A 56 3.171 12.330 11.693 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.819 12.270 10.494 1.00 0.00 N ATOM 0 H HIS A 56 -0.105 14.583 7.310 1.00 0.00 H new ATOM 0 HA HIS A 56 0.286 12.257 8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.111 14.838 8.923 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.229 14.576 10.414 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.322 12.976 8.529 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.530 11.929 12.629 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.728 11.837 10.331 1.00 0.00 H new ATOM 829 N GLN A 57 -2.252 13.803 10.039 1.00 0.00 N ATOM 830 CA GLN A 57 -3.440 13.588 10.848 1.00 0.00 C ATOM 831 C GLN A 57 -4.215 12.371 10.340 1.00 0.00 C ATOM 832 O GLN A 57 -4.610 11.510 11.125 1.00 0.00 O ATOM 833 CB GLN A 57 -4.326 14.835 10.863 1.00 0.00 C ATOM 834 CG GLN A 57 -3.508 16.085 11.194 1.00 0.00 C ATOM 835 CD GLN A 57 -4.413 17.221 11.676 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.168 17.088 12.626 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.296 18.342 10.971 1.00 0.00 N ATOM 0 H GLN A 57 -2.097 14.771 9.758 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.127 13.393 11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.805 14.956 9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.121 14.711 11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.773 15.850 11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.954 16.406 10.312 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.645 18.386 10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.858 19.158 11.214 1.00 0.00 H new ATOM 846 N ALA A 58 -4.410 12.338 9.030 1.00 0.00 N ATOM 847 CA ALA A 58 -5.131 11.240 8.408 1.00 0.00 C ATOM 848 C ALA A 58 -4.409 9.925 8.710 1.00 0.00 C ATOM 849 O ALA A 58 -5.047 8.887 8.876 1.00 0.00 O ATOM 850 CB ALA A 58 -5.262 11.501 6.906 1.00 0.00 C ATOM 0 H ALA A 58 -4.081 13.054 8.382 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.139 11.164 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.803 10.678 6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.807 12.431 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.269 11.581 6.463 1.00 0.00 H new ATOM 856 N GLY A 59 -3.088 10.013 8.772 1.00 0.00 N ATOM 857 CA GLY A 59 -2.273 8.843 9.051 1.00 0.00 C ATOM 858 C GLY A 59 -1.706 8.249 7.760 1.00 0.00 C ATOM 859 O GLY A 59 -1.686 7.031 7.589 1.00 0.00 O ATOM 0 H GLY A 59 -2.562 10.876 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.456 9.115 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.872 8.093 9.568 1.00 0.00 H new ATOM 863 N LEU A 60 -1.259 9.137 6.884 1.00 0.00 N ATOM 864 CA LEU A 60 -0.694 8.716 5.614 1.00 0.00 C ATOM 865 C LEU A 60 0.753 8.268 5.828 1.00 0.00 C ATOM 866 O LEU A 60 1.396 8.674 6.795 1.00 0.00 O ATOM 867 CB LEU A 60 -0.847 9.821 4.566 1.00 0.00 C ATOM 868 CG LEU A 60 -2.210 9.909 3.878 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.335 11.203 3.072 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.471 8.670 3.018 1.00 0.00 C ATOM 0 H LEU A 60 -1.277 10.146 7.029 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.239 7.858 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.641 10.779 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.085 9.676 3.801 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.981 9.934 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.313 11.240 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.224 12.059 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.557 11.233 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.447 8.758 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.698 8.588 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.454 7.780 3.647 1.00 0.00 H new ATOM 882 N GLU A 61 1.224 7.436 4.910 1.00 0.00 N ATOM 883 CA GLU A 61 2.583 6.929 4.986 1.00 0.00 C ATOM 884 C GLU A 61 3.162 6.749 3.582 1.00 0.00 C ATOM 885 O GLU A 61 2.425 6.754 2.597 1.00 0.00 O ATOM 886 CB GLU A 61 2.635 5.618 5.773 1.00 0.00 C ATOM 887 CG GLU A 61 1.832 4.523 5.068 1.00 0.00 C ATOM 888 CD GLU A 61 2.494 3.155 5.248 1.00 0.00 C ATOM 889 OE1 GLU A 61 3.449 2.883 4.489 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.029 2.413 6.139 1.00 0.00 O ATOM 0 H GLU A 61 0.688 7.101 4.110 1.00 0.00 H new ATOM 0 HA GLU A 61 3.193 7.659 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.671 5.298 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.239 5.776 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.818 4.496 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.750 4.754 4.006 1.00 0.00 H new ATOM 897 N TYR A 62 4.477 6.593 3.534 1.00 0.00 N ATOM 898 CA TYR A 62 5.164 6.412 2.266 1.00 0.00 C ATOM 899 C TYR A 62 4.999 4.980 1.753 1.00 0.00 C ATOM 900 O TYR A 62 4.832 4.050 2.541 1.00 0.00 O ATOM 901 CB TYR A 62 6.645 6.673 2.547 1.00 0.00 C ATOM 902 CG TYR A 62 7.546 6.528 1.320 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.765 5.282 0.768 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.140 7.643 0.764 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.614 5.145 -0.387 1.00 0.00 C ATOM 906 CE2 TYR A 62 8.989 7.506 -0.391 1.00 0.00 C ATOM 907 CZ TYR A 62 9.184 6.264 -0.910 1.00 0.00 C ATOM 908 OH TYR A 62 9.985 6.135 -2.001 1.00 0.00 O ATOM 0 H TYR A 62 5.085 6.588 4.353 1.00 0.00 H new ATOM 0 HA TYR A 62 4.758 7.084 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.756 7.680 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.985 5.982 3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.300 4.410 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.968 8.618 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.794 4.176 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.460 8.370 -0.835 1.00 0.00 H new ATOM 0 HH TYR A 62 10.322 7.016 -2.266 1.00 0.00 H new ATOM 918 N GLY A 63 5.051 4.848 0.436 1.00 0.00 N ATOM 919 CA GLY A 63 4.910 3.545 -0.191 1.00 0.00 C ATOM 920 C GLY A 63 3.435 3.192 -0.397 1.00 0.00 C ATOM 921 O GLY A 63 3.113 2.255 -1.126 1.00 0.00 O ATOM 0 H GLY A 63 5.189 5.622 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.426 3.542 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.386 2.786 0.429 1.00 0.00 H new ATOM 925 N ASP A 64 2.579 3.963 0.257 1.00 0.00 N ATOM 926 CA ASP A 64 1.146 3.744 0.155 1.00 0.00 C ATOM 927 C ASP A 64 0.666 4.177 -1.232 1.00 0.00 C ATOM 928 O ASP A 64 0.357 5.348 -1.448 1.00 0.00 O ATOM 929 CB ASP A 64 0.387 4.568 1.197 1.00 0.00 C ATOM 930 CG ASP A 64 -0.509 3.757 2.136 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.231 2.547 2.280 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.450 4.366 2.688 1.00 0.00 O ATOM 0 H ASP A 64 2.850 4.740 0.860 1.00 0.00 H new ATOM 0 HA ASP A 64 0.954 2.684 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.109 5.122 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.228 5.304 0.679 1.00 0.00 H new ATOM 937 N GLN A 65 0.619 3.209 -2.135 1.00 0.00 N ATOM 938 CA GLN A 65 0.182 3.476 -3.495 1.00 0.00 C ATOM 939 C GLN A 65 -1.259 3.992 -3.498 1.00 0.00 C ATOM 940 O GLN A 65 -2.177 3.284 -3.087 1.00 0.00 O ATOM 941 CB GLN A 65 0.318 2.228 -4.369 1.00 0.00 C ATOM 942 CG GLN A 65 0.530 2.607 -5.837 1.00 0.00 C ATOM 943 CD GLN A 65 0.026 1.501 -6.767 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.412 0.348 -6.669 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.857 1.916 -7.671 1.00 0.00 N ATOM 0 H GLN A 65 0.876 2.239 -1.952 1.00 0.00 H new ATOM 0 HA GLN A 65 0.825 4.248 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.157 1.625 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.577 1.614 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.006 3.538 -6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.589 2.787 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.137 2.896 -7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.254 1.254 -8.337 1.00 0.00 H new ATOM 954 N LEU A 66 -1.411 5.222 -3.966 1.00 0.00 N ATOM 955 CA LEU A 66 -2.724 5.842 -4.028 1.00 0.00 C ATOM 956 C LEU A 66 -3.518 5.230 -5.183 1.00 0.00 C ATOM 957 O LEU A 66 -3.226 5.491 -6.349 1.00 0.00 O ATOM 958 CB LEU A 66 -2.595 7.364 -4.109 1.00 0.00 C ATOM 959 CG LEU A 66 -1.762 8.026 -3.009 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.560 9.515 -3.297 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.384 7.788 -1.632 1.00 0.00 C ATOM 0 H LEU A 66 -0.647 5.806 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.283 5.641 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.157 7.621 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.596 7.795 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.776 7.562 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.965 9.962 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.041 9.635 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.529 10.011 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.772 8.269 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.389 8.208 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.434 6.717 -1.435 1.00 0.00 H new ATOM 973 N LEU A 67 -4.507 4.426 -4.819 1.00 0.00 N ATOM 974 CA LEU A 67 -5.345 3.774 -5.811 1.00 0.00 C ATOM 975 C LEU A 67 -6.341 4.789 -6.377 1.00 0.00 C ATOM 976 O LEU A 67 -6.366 5.034 -7.583 1.00 0.00 O ATOM 977 CB LEU A 67 -6.007 2.529 -5.219 1.00 0.00 C ATOM 978 CG LEU A 67 -5.081 1.341 -4.951 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.854 0.168 -4.344 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.328 0.935 -6.219 1.00 0.00 C ATOM 0 H LEU A 67 -4.746 4.212 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.741 3.419 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.488 2.808 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.796 2.204 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.335 1.649 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.172 -0.663 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.305 0.478 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.636 -0.148 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.677 0.089 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.043 0.653 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.727 1.774 -6.569 1.00 0.00 H new ATOM 992 N GLU A 68 -7.137 5.352 -5.481 1.00 0.00 N ATOM 993 CA GLU A 68 -8.132 6.335 -5.876 1.00 0.00 C ATOM 994 C GLU A 68 -8.312 7.381 -4.773 1.00 0.00 C ATOM 995 O GLU A 68 -8.651 7.042 -3.641 1.00 0.00 O ATOM 996 CB GLU A 68 -9.463 5.661 -6.215 1.00 0.00 C ATOM 997 CG GLU A 68 -9.422 5.039 -7.612 1.00 0.00 C ATOM 998 CD GLU A 68 -10.628 4.125 -7.841 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.711 4.475 -7.324 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.439 3.098 -8.527 1.00 0.00 O ATOM 0 H GLU A 68 -7.114 5.147 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.779 6.841 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.683 4.890 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.269 6.393 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.410 5.827 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.501 4.469 -7.733 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.076 8.631 -5.144 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.208 9.728 -4.201 1.00 0.00 C ATOM 1009 C PHE A 69 -9.598 10.362 -4.288 1.00 0.00 C ATOM 1010 O PHE A 69 -9.952 10.952 -5.308 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.159 10.774 -4.582 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.377 12.141 -3.931 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.231 13.036 -4.498 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.719 12.462 -2.785 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.434 14.305 -3.894 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.922 13.731 -2.181 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.775 14.625 -2.748 1.00 0.00 C ATOM 0 H PHE A 69 -7.794 8.908 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.068 9.363 -3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.173 10.403 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.158 10.895 -5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.755 12.781 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.042 11.752 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.111 15.016 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.399 13.986 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.929 15.590 -2.288 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.348 10.219 -3.205 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.691 10.771 -3.146 1.00 0.00 C ATOM 1029 C ASN A 70 -12.548 10.132 -4.241 1.00 0.00 C ATOM 1030 O ASN A 70 -13.627 10.629 -4.558 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.676 12.283 -3.379 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.515 13.008 -2.325 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.302 12.415 -1.605 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.304 14.320 -2.274 1.00 0.00 N ATOM 0 H ASN A 70 -10.051 9.729 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.098 10.563 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.650 12.649 -3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.063 12.505 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.816 14.893 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.631 14.753 -2.906 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.034 9.041 -4.789 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.739 8.329 -5.842 1.00 0.00 C ATOM 1043 C GLY A 71 -12.281 8.801 -7.223 1.00 0.00 C ATOM 1044 O GLY A 71 -13.087 8.902 -8.147 1.00 0.00 O ATOM 0 H GLY A 71 -11.138 8.632 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.563 7.258 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.812 8.487 -5.737 1.00 0.00 H new ATOM 1048 N ILE A 72 -10.989 9.076 -7.321 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.414 9.534 -8.575 1.00 0.00 C ATOM 1050 C ILE A 72 -9.406 8.499 -9.077 1.00 0.00 C ATOM 1051 O ILE A 72 -8.476 8.133 -8.359 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.826 10.937 -8.413 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.915 12.005 -8.534 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.682 11.169 -9.403 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.640 13.178 -7.591 1.00 0.00 C ATOM 0 H ILE A 72 -10.324 8.991 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.187 9.623 -9.339 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.406 11.018 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.965 12.364 -9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.886 11.567 -8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.281 12.174 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.894 10.437 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.055 11.062 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.429 13.923 -7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.615 12.819 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.680 13.629 -7.841 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.623 8.056 -10.306 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.745 7.070 -10.913 1.00 0.00 C ATOM 1069 C ASN A 73 -7.310 7.602 -10.912 1.00 0.00 C ATOM 1070 O ASN A 73 -6.927 8.365 -11.797 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.145 6.793 -12.363 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.658 5.414 -12.813 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -7.963 4.710 -12.100 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.061 5.070 -14.033 1.00 0.00 N ATOM 0 H ASN A 73 -10.395 8.362 -10.899 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.823 6.149 -10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.229 6.850 -12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.725 7.561 -13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.789 4.168 -14.425 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.642 5.708 -14.577 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.556 7.178 -9.909 1.00 0.00 N ATOM 1082 CA LEU A 74 -5.172 7.602 -9.781 1.00 0.00 C ATOM 1083 C LEU A 74 -4.261 6.557 -10.429 1.00 0.00 C ATOM 1084 O LEU A 74 -3.163 6.880 -10.878 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.833 7.891 -8.317 1.00 0.00 C ATOM 1086 CG LEU A 74 -5.118 9.313 -7.831 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -5.036 9.397 -6.305 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -4.190 10.321 -8.512 1.00 0.00 C ATOM 0 H LEU A 74 -6.877 6.545 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.010 8.540 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.392 7.195 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.775 7.680 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.138 9.573 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.243 10.418 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.770 8.723 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.037 9.110 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.413 11.324 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.153 10.074 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.341 10.284 -9.591 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.752 5.326 -10.456 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.995 4.233 -11.041 1.00 0.00 C ATOM 1102 C ARG A 75 -3.457 4.635 -12.416 1.00 0.00 C ATOM 1103 O ARG A 75 -2.470 4.073 -12.889 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.862 2.980 -11.188 1.00 0.00 C ATOM 1105 CG ARG A 75 -5.170 2.364 -9.821 1.00 0.00 C ATOM 1106 CD ARG A 75 -6.208 1.247 -9.945 1.00 0.00 C ATOM 1107 NE ARG A 75 -7.071 1.222 -8.743 1.00 0.00 N ATOM 1108 CZ ARG A 75 -8.219 0.536 -8.657 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -8.648 -0.186 -9.701 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -8.937 0.571 -7.526 1.00 0.00 N ATOM 0 H ARG A 75 -5.664 5.062 -10.082 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.163 4.011 -10.372 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.793 3.235 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.349 2.249 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.254 1.968 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.539 3.135 -9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.816 1.402 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.708 0.286 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.774 1.760 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.101 -0.214 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.522 -0.708 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.610 1.120 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.811 0.049 -7.460 1.00 0.00 H new ATOM 1124 N SER A 76 -4.129 5.605 -13.019 1.00 0.00 N ATOM 1125 CA SER A 76 -3.730 6.089 -14.329 1.00 0.00 C ATOM 1126 C SER A 76 -3.581 7.611 -14.301 1.00 0.00 C ATOM 1127 O SER A 76 -4.176 8.312 -15.119 1.00 0.00 O ATOM 1128 CB SER A 76 -4.741 5.674 -15.400 1.00 0.00 C ATOM 1129 OG SER A 76 -4.678 4.279 -15.683 1.00 0.00 O ATOM 0 H SER A 76 -4.947 6.069 -12.624 1.00 0.00 H new ATOM 0 HA SER A 76 -2.769 5.641 -14.582 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.747 5.931 -15.068 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.553 6.238 -16.314 1.00 0.00 H new ATOM 0 HG SER A 76 -5.340 4.054 -16.370 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.783 8.079 -13.353 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.548 9.505 -13.208 1.00 0.00 C ATOM 1137 C ALA A 77 -1.041 9.766 -13.146 1.00 0.00 C ATOM 1138 O ALA A 77 -0.263 8.860 -12.850 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.280 10.020 -11.967 1.00 0.00 C ATOM 0 H ALA A 77 -2.291 7.495 -12.677 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.942 10.048 -14.067 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.103 11.090 -11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.349 9.838 -12.073 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.909 9.500 -11.084 1.00 0.00 H new ATOM 1145 N THR A 78 -0.676 11.007 -13.431 1.00 0.00 N ATOM 1146 CA THR A 78 0.724 11.398 -13.411 1.00 0.00 C ATOM 1147 C THR A 78 1.073 12.065 -12.079 1.00 0.00 C ATOM 1148 O THR A 78 0.232 12.152 -11.185 1.00 0.00 O ATOM 1149 CB THR A 78 0.981 12.293 -14.625 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.113 13.405 -14.427 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.490 11.665 -15.931 1.00 0.00 C ATOM 0 H THR A 78 -1.325 11.755 -13.677 1.00 0.00 H new ATOM 0 HA THR A 78 1.379 10.530 -13.484 1.00 0.00 H new ATOM 0 HB THR A 78 2.048 12.502 -14.702 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.262 14.066 -15.135 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.697 12.341 -16.760 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.006 10.719 -16.097 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.583 11.486 -15.868 1.00 0.00 H new ATOM 1159 N GLU A 79 2.314 12.519 -11.989 1.00 0.00 N ATOM 1160 CA GLU A 79 2.784 13.176 -10.781 1.00 0.00 C ATOM 1161 C GLU A 79 2.224 14.597 -10.696 1.00 0.00 C ATOM 1162 O GLU A 79 1.884 15.070 -9.613 1.00 0.00 O ATOM 1163 CB GLU A 79 4.313 13.185 -10.722 1.00 0.00 C ATOM 1164 CG GLU A 79 4.913 13.480 -12.098 1.00 0.00 C ATOM 1165 CD GLU A 79 6.297 14.119 -11.968 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.368 15.193 -11.332 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.252 13.520 -12.507 1.00 0.00 O ATOM 0 H GLU A 79 3.008 12.445 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 79 2.423 12.613 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.648 13.936 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.672 12.220 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.988 12.556 -12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.252 14.146 -12.652 1.00 0.00 H new ATOM 1174 N GLN A 80 2.144 15.237 -11.854 1.00 0.00 N ATOM 1175 CA GLN A 80 1.631 16.594 -11.924 1.00 0.00 C ATOM 1176 C GLN A 80 0.141 16.617 -11.577 1.00 0.00 C ATOM 1177 O GLN A 80 -0.324 17.515 -10.878 1.00 0.00 O ATOM 1178 CB GLN A 80 1.881 17.204 -13.305 1.00 0.00 C ATOM 1179 CG GLN A 80 1.145 16.420 -14.393 1.00 0.00 C ATOM 1180 CD GLN A 80 1.895 16.494 -15.724 1.00 0.00 C ATOM 1181 OE1 GLN A 80 3.088 16.253 -15.809 1.00 0.00 O ATOM 1182 NE2 GLN A 80 1.131 16.841 -16.757 1.00 0.00 N ATOM 0 H GLN A 80 2.426 14.841 -12.751 1.00 0.00 H new ATOM 0 HA GLN A 80 2.164 17.201 -11.192 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.550 18.242 -13.313 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.950 17.209 -13.516 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.040 15.379 -14.088 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.138 16.819 -14.516 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.138 17.029 -16.617 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.538 16.919 -17.689 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.567 15.617 -12.082 1.00 0.00 N ATOM 1192 CA GLN A 81 -1.995 15.510 -11.835 1.00 0.00 C ATOM 1193 C GLN A 81 -2.257 15.233 -10.353 1.00 0.00 C ATOM 1194 O GLN A 81 -3.104 15.878 -9.738 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.625 14.429 -12.715 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.303 15.046 -13.940 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.416 14.917 -15.181 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -2.035 15.893 -15.807 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.110 13.663 -15.499 1.00 0.00 N ATOM 0 H GLN A 81 -0.178 14.873 -12.661 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.461 16.460 -12.095 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.858 13.724 -13.036 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.356 13.864 -12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.258 14.552 -14.119 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.518 16.098 -13.750 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.463 12.892 -14.931 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.522 13.472 -16.310 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.515 14.272 -9.823 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.657 13.901 -8.426 1.00 0.00 C ATOM 1210 C ALA A 82 -1.589 15.160 -7.559 1.00 0.00 C ATOM 1211 O ALA A 82 -2.562 15.514 -6.895 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.578 12.880 -8.056 1.00 0.00 C ATOM 0 H ALA A 82 -0.813 13.739 -10.336 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.625 13.431 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.685 12.602 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.687 11.993 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.407 13.317 -8.217 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.431 15.802 -7.593 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.224 17.014 -6.819 1.00 0.00 C ATOM 1220 C ARG A 83 -1.473 17.895 -6.869 1.00 0.00 C ATOM 1221 O ARG A 83 -1.764 18.621 -5.919 1.00 0.00 O ATOM 1222 CB ARG A 83 0.973 17.808 -7.348 1.00 0.00 C ATOM 1223 CG ARG A 83 2.292 17.166 -6.912 1.00 0.00 C ATOM 1224 CD ARG A 83 3.396 18.218 -6.780 1.00 0.00 C ATOM 1225 NE ARG A 83 3.887 18.263 -5.385 1.00 0.00 N ATOM 1226 CZ ARG A 83 4.665 17.323 -4.832 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.044 16.258 -5.552 1.00 0.00 N ATOM 1228 NH2 ARG A 83 5.063 17.447 -3.558 1.00 0.00 N ATOM 0 H ARG A 83 0.374 15.506 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.024 16.719 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.930 17.856 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.925 18.833 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.155 16.656 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.590 16.410 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.218 17.982 -7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.014 19.196 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 83 3.616 19.060 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.740 16.163 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.636 15.542 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.773 18.257 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.655 16.731 -3.137 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.179 17.804 -7.986 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.391 18.584 -8.172 1.00 0.00 C ATOM 1244 C LEU A 84 -4.569 17.848 -7.531 1.00 0.00 C ATOM 1245 O LEU A 84 -5.299 18.421 -6.723 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.599 18.906 -9.653 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.681 19.979 -10.241 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.394 19.705 -11.719 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -3.261 21.378 -10.020 1.00 0.00 C ATOM 0 H LEU A 84 -1.935 17.202 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.305 19.547 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.466 17.988 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.632 19.223 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.727 19.939 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.739 20.482 -12.113 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.908 18.735 -11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.330 19.702 -12.277 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.589 22.122 -10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.235 21.449 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.372 21.561 -8.951 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.719 16.589 -7.915 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.796 15.768 -7.388 1.00 0.00 C ATOM 1263 C ILE A 85 -5.738 15.778 -5.860 1.00 0.00 C ATOM 1264 O ILE A 85 -6.720 16.111 -5.199 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.749 14.366 -7.997 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.926 14.421 -9.516 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.775 13.445 -7.334 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.956 13.014 -10.116 1.00 0.00 C ATOM 0 H ILE A 85 -4.112 16.117 -8.585 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.764 16.181 -7.673 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.763 13.943 -7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.851 14.944 -9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.111 14.992 -9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.720 12.455 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.561 13.370 -6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.776 13.854 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.083 13.082 -11.196 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.020 12.503 -9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.787 12.453 -9.688 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.576 15.407 -5.342 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.376 15.369 -3.903 1.00 0.00 C ATOM 1282 C ILE A 86 -4.427 16.793 -3.347 1.00 0.00 C ATOM 1283 O ILE A 86 -4.935 17.017 -2.249 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.085 14.621 -3.561 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.857 15.480 -3.867 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.031 13.268 -4.273 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.587 14.627 -3.904 1.00 0.00 C ATOM 0 H ILE A 86 -3.764 15.130 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.178 14.810 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.079 14.421 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.990 15.983 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.755 16.258 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.104 12.757 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.880 12.659 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.070 13.422 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.271 15.262 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.444 14.145 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.683 13.866 -4.678 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.895 17.719 -4.130 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.873 19.116 -3.730 1.00 0.00 C ATOM 1301 C GLY A 87 -5.170 19.822 -4.132 1.00 0.00 C ATOM 1302 O GLY A 87 -5.142 20.957 -4.606 1.00 0.00 O ATOM 0 H GLY A 87 -3.475 17.530 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.736 19.187 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.023 19.617 -4.193 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.275 19.120 -3.929 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.580 19.665 -4.265 1.00 0.00 C ATOM 1308 C GLN A 88 -8.217 20.314 -3.035 1.00 0.00 C ATOM 1309 O GLN A 88 -7.582 20.422 -1.987 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.492 18.585 -4.849 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.286 18.452 -6.360 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.619 18.227 -7.077 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.688 18.312 -6.495 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.496 17.935 -8.369 1.00 0.00 N ATOM 0 H GLN A 88 -6.294 18.179 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.446 20.432 -5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.287 17.630 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.533 18.831 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.809 19.353 -6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.613 17.620 -6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.570 17.880 -8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.328 17.766 -8.935 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.464 20.729 -3.203 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.194 21.364 -2.119 1.00 0.00 C ATOM 1325 C GLN A 89 -11.357 20.477 -1.671 1.00 0.00 C ATOM 1326 O GLN A 89 -11.988 19.813 -2.492 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.689 22.752 -2.530 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.052 22.786 -4.016 1.00 0.00 C ATOM 1329 CD GLN A 89 -9.802 22.945 -4.883 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -8.951 23.785 -4.642 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.739 22.094 -5.903 1.00 0.00 N ATOM 0 H GLN A 89 -9.987 20.638 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.515 21.492 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.560 23.023 -1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.917 23.493 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.573 21.868 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.739 23.611 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.486 21.415 -6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.943 22.120 -6.541 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.606 20.494 -0.370 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.683 19.700 0.197 1.00 0.00 C ATOM 1342 C CYS A 90 -12.438 19.562 1.701 1.00 0.00 C ATOM 1343 O CYS A 90 -11.399 19.054 2.120 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.802 18.337 -0.490 1.00 0.00 C ATOM 1345 SG CYS A 90 -14.222 18.340 -1.644 1.00 0.00 S ATOM 0 H CYS A 90 -11.080 21.045 0.308 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.636 20.202 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.883 18.112 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.932 17.554 0.257 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.930 19.054 -2.690 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.412 20.023 2.471 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.316 19.957 3.919 1.00 0.00 C ATOM 1353 C ASP A 91 -12.915 18.540 4.336 1.00 0.00 C ATOM 1354 O ASP A 91 -11.981 18.359 5.115 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.659 20.281 4.576 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.928 21.771 4.796 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.010 22.564 4.495 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.046 22.083 5.261 1.00 0.00 O ATOM 0 H ASP A 91 -14.272 20.444 2.119 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.572 20.686 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.457 19.870 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.708 19.772 5.539 1.00 0.00 H new ATOM 1363 N THR A 92 -13.642 17.572 3.798 1.00 0.00 N ATOM 1364 CA THR A 92 -13.375 16.177 4.104 1.00 0.00 C ATOM 1365 C THR A 92 -13.254 15.362 2.815 1.00 0.00 C ATOM 1366 O THR A 92 -14.175 15.342 1.999 1.00 0.00 O ATOM 1367 CB THR A 92 -14.480 15.677 5.037 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.406 16.550 6.161 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.175 14.295 5.618 1.00 0.00 C ATOM 0 H THR A 92 -14.416 17.726 3.152 1.00 0.00 H new ATOM 0 HA THR A 92 -12.420 16.061 4.616 1.00 0.00 H new ATOM 0 HB THR A 92 -15.425 15.642 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.090 16.298 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.990 13.987 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.069 13.575 4.807 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.247 14.337 6.189 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.110 14.709 2.670 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.856 13.895 1.494 1.00 0.00 C ATOM 1379 C ILE A 93 -11.310 12.534 1.930 1.00 0.00 C ATOM 1380 O ILE A 93 -10.560 12.444 2.901 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.946 14.638 0.514 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.171 13.655 -0.366 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -10.016 15.602 1.253 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.830 13.286 0.272 1.00 0.00 C ATOM 0 H ILE A 93 -11.348 14.727 3.348 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.783 13.708 0.952 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.572 15.238 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.764 12.754 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -10.001 14.097 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.380 16.117 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.611 16.333 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.394 15.043 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.300 12.586 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.229 14.186 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.004 12.822 1.243 1.00 0.00 H new ATOM 1396 N THR A 94 -11.707 11.508 1.191 1.00 0.00 N ATOM 1397 CA THR A 94 -11.266 10.156 1.489 1.00 0.00 C ATOM 1398 C THR A 94 -10.184 9.718 0.500 1.00 0.00 C ATOM 1399 O THR A 94 -10.102 10.243 -0.609 1.00 0.00 O ATOM 1400 CB THR A 94 -12.497 9.247 1.486 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.367 9.837 2.448 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.200 7.858 2.054 1.00 0.00 C ATOM 0 H THR A 94 -12.329 11.586 0.387 1.00 0.00 H new ATOM 0 HA THR A 94 -10.803 10.098 2.474 1.00 0.00 H new ATOM 0 HB THR A 94 -12.874 9.150 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.192 9.311 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.107 7.253 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.427 7.378 1.455 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.855 7.952 3.084 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.381 8.759 0.937 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.308 8.244 0.104 1.00 0.00 C ATOM 1412 C ILE A 95 -8.340 6.714 0.127 1.00 0.00 C ATOM 1413 O ILE A 95 -8.595 6.110 1.168 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.965 8.837 0.534 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.892 10.329 0.201 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.800 8.056 -0.077 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.701 10.989 0.898 1.00 0.00 C ATOM 0 H ILE A 95 -9.452 8.325 1.857 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.449 8.551 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.882 8.744 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.805 10.461 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.815 10.819 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.857 8.498 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.845 7.018 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.867 8.094 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.673 12.049 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.803 10.877 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.777 10.512 0.570 1.00 0.00 H new ATOM 1429 N LEU A 96 -8.077 6.132 -1.034 1.00 0.00 N ATOM 1430 CA LEU A 96 -8.073 4.684 -1.160 1.00 0.00 C ATOM 1431 C LEU A 96 -6.636 4.199 -1.365 1.00 0.00 C ATOM 1432 O LEU A 96 -6.165 4.103 -2.497 1.00 0.00 O ATOM 1433 CB LEU A 96 -9.035 4.240 -2.264 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.130 2.732 -2.504 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.726 2.019 -1.289 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.908 2.429 -3.786 1.00 0.00 C ATOM 0 H LEU A 96 -7.865 6.636 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.439 4.220 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.030 4.613 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.733 4.718 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.121 2.344 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.782 0.949 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.094 2.195 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.727 2.405 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.961 1.350 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.917 2.834 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.402 2.887 -4.636 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.981 3.905 -0.252 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.608 3.432 -0.295 1.00 0.00 C ATOM 1450 C ALA A 97 -4.597 1.903 -0.227 1.00 0.00 C ATOM 1451 O ALA A 97 -5.584 1.289 0.175 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.811 4.071 0.845 1.00 0.00 C ATOM 0 H ALA A 97 -6.376 3.985 0.685 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.131 3.724 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.781 3.716 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.825 5.155 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.259 3.797 1.800 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.470 1.333 -0.626 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.318 -0.112 -0.616 1.00 0.00 C ATOM 1460 C GLN A 98 -1.835 -0.490 -0.617 1.00 0.00 C ATOM 1461 O GLN A 98 -1.298 -0.910 -1.640 1.00 0.00 O ATOM 1462 CB GLN A 98 -4.046 -0.748 -1.802 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.273 -2.243 -1.568 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.522 -2.974 -2.889 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.103 -2.547 -3.952 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.226 -4.095 -2.763 1.00 0.00 N ATOM 0 H GLN A 98 -2.653 1.846 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.771 -0.499 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.004 -0.251 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.463 -0.603 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.404 -2.672 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.125 -2.385 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.546 -4.395 -1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.446 -4.655 -3.587 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.215 -0.326 0.543 1.00 0.00 N ATOM 1476 CA TYR A 99 0.195 -0.645 0.689 1.00 0.00 C ATOM 1477 C TYR A 99 0.560 -1.896 -0.113 1.00 0.00 C ATOM 1478 O TYR A 99 -0.270 -2.784 -0.298 1.00 0.00 O ATOM 1479 CB TYR A 99 0.411 -0.927 2.177 1.00 0.00 C ATOM 1480 CG TYR A 99 1.863 -1.236 2.547 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.404 -2.470 2.246 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.632 -0.282 3.182 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.771 -2.761 2.594 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.998 -0.574 3.530 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.500 -1.798 3.219 1.00 0.00 C ATOM 1486 OH TYR A 99 5.791 -2.074 3.548 1.00 0.00 O ATOM 0 H TYR A 99 -1.663 0.023 1.390 1.00 0.00 H new ATOM 0 HA TYR A 99 0.814 0.175 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.076 -0.064 2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.215 -1.769 2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.802 -3.217 1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.209 0.683 3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.207 -3.722 2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.610 0.164 4.027 1.00 0.00 H new ATOM 0 HH TYR A 99 6.190 -1.295 3.988 1.00 0.00 H new ATOM 1496 N ASN A 100 1.804 -1.925 -0.568 1.00 0.00 N ATOM 1497 CA ASN A 100 2.290 -3.052 -1.346 1.00 0.00 C ATOM 1498 C ASN A 100 3.769 -3.284 -1.031 1.00 0.00 C ATOM 1499 O ASN A 100 4.604 -2.414 -1.275 1.00 0.00 O ATOM 1500 CB ASN A 100 2.163 -2.781 -2.846 1.00 0.00 C ATOM 1501 CG ASN A 100 0.768 -3.148 -3.354 1.00 0.00 C ATOM 1502 OD1 ASN A 100 -0.055 -3.698 -2.641 1.00 0.00 O ATOM 1503 ND2 ASN A 100 0.548 -2.814 -4.623 1.00 0.00 N ATOM 0 H ASN A 100 2.490 -1.186 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 100 1.692 -3.925 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.362 -1.728 -3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.914 -3.356 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.354 -3.017 -5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.281 -2.355 -5.164 1.00 0.00 H new ATOM 1510 N PRO A 101 4.056 -4.493 -0.479 1.00 0.00 N ATOM 1511 CA PRO A 101 5.420 -4.850 -0.127 1.00 0.00 C ATOM 1512 C PRO A 101 6.237 -5.188 -1.376 1.00 0.00 C ATOM 1513 O PRO A 101 6.829 -6.263 -1.463 1.00 0.00 O ATOM 1514 CB PRO A 101 5.285 -6.024 0.829 1.00 0.00 C ATOM 1515 CG PRO A 101 3.885 -6.576 0.617 1.00 0.00 C ATOM 1516 CD PRO A 101 3.094 -5.548 -0.175 1.00 0.00 C ATOM 0 HA PRO A 101 5.962 -4.030 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.039 -6.783 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.427 -5.705 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.926 -7.523 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.403 -6.773 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.681 -5.982 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.254 -5.163 0.404 1.00 0.00 H new