USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 663 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 81 ASN :FLIP amide:sc= -0.0988 F(o=-0.44,f=0.18) USER MOD Set 1.2: A 106 TYR OH : rot 24:sc= 0.281 USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -1.64 (180deg=-2.49!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -129:sc=-0.00379 (180deg=-0.582) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 50:sc= -2.55! USER MOD Single : A 53 SER OG : rot 180:sc= -1.47! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 59 GLN : amide:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.819 F(o=-1.4,f=-0.82) USER MOD Single : A 82 ASN : amide:sc= -0.329 K(o=-0.33,f=-3.4!) USER MOD Single : A 87 THR OG1 : rot -93:sc= 0.147 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 91 MET CE :methyl -174:sc= -4.68! (180deg=-5.44!) USER MOD Single : A 93 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.1!) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 96 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -8.45! C(o=-10!,f=-8.5!) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -4.26! C(o=-7.3!,f=-4.3!) USER MOD Single : A 109 TYR OH : rot 49:sc= -1.94! USER MOD Single : A 110 SER OG : rot -170:sc= -0.987 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.162 14.998 1.121 1.00 0.00 N ATOM 178 CA ARG A 28 3.442 13.533 1.115 1.00 0.00 C ATOM 179 C ARG A 28 2.172 12.754 0.764 1.00 0.00 C ATOM 180 O ARG A 28 1.225 13.298 0.231 1.00 0.00 O ATOM 181 CB ARG A 28 3.893 13.208 2.539 1.00 0.00 C ATOM 182 CG ARG A 28 5.422 13.167 2.594 1.00 0.00 C ATOM 183 CD ARG A 28 5.987 14.499 2.097 1.00 0.00 C ATOM 184 NE ARG A 28 7.444 14.435 2.399 1.00 0.00 N ATOM 185 CZ ARG A 28 8.316 14.749 1.479 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.518 16.001 1.171 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.987 13.811 0.869 1.00 0.00 N ATOM 0 HA ARG A 28 4.197 13.261 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.514 13.959 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.481 12.248 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.755 12.977 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.797 12.349 1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.810 14.629 1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.515 15.341 2.603 1.00 0.00 H new ATOM 0 HE ARG A 28 7.761 14.146 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.995 16.735 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.199 16.246 0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.830 12.832 1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.668 14.056 0.150 1.00 0.00 H new ATOM 199 N VAL A 29 2.144 11.484 1.062 1.00 0.00 N ATOM 200 CA VAL A 29 0.936 10.670 0.750 1.00 0.00 C ATOM 201 C VAL A 29 0.745 9.577 1.808 1.00 0.00 C ATOM 202 O VAL A 29 1.439 8.574 1.802 1.00 0.00 O ATOM 203 CB VAL A 29 1.206 10.053 -0.625 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.270 8.863 -0.851 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.957 11.102 -1.711 1.00 0.00 C ATOM 0 H VAL A 29 2.907 10.975 1.509 1.00 0.00 H new ATOM 0 HA VAL A 29 0.026 11.271 0.748 1.00 0.00 H new ATOM 0 HB VAL A 29 2.241 9.714 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.466 8.427 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.442 8.113 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.765 9.200 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.149 10.664 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.078 11.439 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.623 11.951 -1.556 1.00 0.00 H new ATOM 215 N PRO A 30 -0.200 9.814 2.676 1.00 0.00 N ATOM 216 CA PRO A 30 -0.516 8.844 3.752 1.00 0.00 C ATOM 217 C PRO A 30 -1.271 7.647 3.167 1.00 0.00 C ATOM 218 O PRO A 30 -2.430 7.744 2.813 1.00 0.00 O ATOM 219 CB PRO A 30 -1.414 9.637 4.696 1.00 0.00 C ATOM 220 CG PRO A 30 -2.031 10.698 3.842 1.00 0.00 C ATOM 221 CD PRO A 30 -1.052 11.005 2.739 1.00 0.00 C ATOM 0 HA PRO A 30 0.368 8.445 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.175 8.999 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.840 10.073 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.981 10.357 3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.241 11.591 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.561 11.181 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.470 11.900 2.960 1.00 0.00 H new ATOM 229 N VAL A 31 -0.624 6.521 3.053 1.00 0.00 N ATOM 230 CA VAL A 31 -1.311 5.329 2.480 1.00 0.00 C ATOM 231 C VAL A 31 -1.659 4.324 3.580 1.00 0.00 C ATOM 232 O VAL A 31 -0.844 3.996 4.420 1.00 0.00 O ATOM 233 CB VAL A 31 -0.299 4.723 1.506 1.00 0.00 C ATOM 234 CG1 VAL A 31 -0.949 3.562 0.751 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.149 5.793 0.507 1.00 0.00 C ATOM 0 H VAL A 31 0.347 6.374 3.330 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.248 5.594 1.991 1.00 0.00 H new ATOM 0 HB VAL A 31 0.565 4.357 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.228 3.130 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.270 2.800 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.813 3.927 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.870 5.363 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.716 6.158 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.612 6.621 1.044 1.00 0.00 H new ATOM 245 N ILE A 32 -2.864 3.823 3.571 1.00 0.00 N ATOM 246 CA ILE A 32 -3.270 2.826 4.600 1.00 0.00 C ATOM 247 C ILE A 32 -2.992 1.421 4.069 1.00 0.00 C ATOM 248 O ILE A 32 -2.942 1.203 2.875 1.00 0.00 O ATOM 249 CB ILE A 32 -4.770 3.043 4.801 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.019 4.478 5.273 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.291 2.065 5.855 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.206 4.748 6.541 1.00 0.00 C ATOM 0 H ILE A 32 -3.587 4.063 2.892 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.726 2.938 5.538 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.290 2.873 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.737 5.183 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.080 4.628 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.360 2.220 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.114 1.042 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.771 2.235 6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.384 5.770 6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.509 4.052 7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.145 4.615 6.328 1.00 0.00 H new ATOM 264 N VAL A 33 -2.791 0.467 4.933 1.00 0.00 N ATOM 265 CA VAL A 33 -2.494 -0.904 4.442 1.00 0.00 C ATOM 266 C VAL A 33 -3.354 -1.955 5.155 1.00 0.00 C ATOM 267 O VAL A 33 -3.650 -1.852 6.329 1.00 0.00 O ATOM 268 CB VAL A 33 -1.004 -1.093 4.745 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.675 -2.578 4.910 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.190 -0.519 3.584 1.00 0.00 C ATOM 0 H VAL A 33 -2.819 0.576 5.947 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.720 -1.025 3.383 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.758 -0.577 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.387 -2.694 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.259 -2.991 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.919 -3.109 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.873 -0.647 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.450 -1.043 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.413 0.542 3.473 1.00 0.00 H new ATOM 280 N GLU A 34 -3.741 -2.968 4.434 1.00 0.00 N ATOM 281 CA GLU A 34 -4.573 -4.058 5.018 1.00 0.00 C ATOM 282 C GLU A 34 -4.396 -5.333 4.183 1.00 0.00 C ATOM 283 O GLU A 34 -3.662 -5.352 3.213 1.00 0.00 O ATOM 284 CB GLU A 34 -6.012 -3.547 4.935 1.00 0.00 C ATOM 285 CG GLU A 34 -6.344 -2.757 6.203 1.00 0.00 C ATOM 286 CD GLU A 34 -6.255 -1.258 5.908 1.00 0.00 C ATOM 287 OE1 GLU A 34 -5.891 -0.914 4.796 1.00 0.00 O ATOM 288 OE2 GLU A 34 -6.551 -0.481 6.801 1.00 0.00 O ATOM 0 H GLU A 34 -3.513 -3.090 3.447 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.296 -4.301 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.135 -2.914 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.701 -4.384 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.345 -3.011 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.652 -3.023 7.002 1.00 0.00 H new ATOM 295 N LYS A 35 -5.057 -6.400 4.540 1.00 0.00 N ATOM 296 CA LYS A 35 -4.907 -7.654 3.747 1.00 0.00 C ATOM 297 C LYS A 35 -6.197 -7.969 2.991 1.00 0.00 C ATOM 298 O LYS A 35 -7.261 -7.487 3.324 1.00 0.00 O ATOM 299 CB LYS A 35 -4.617 -8.751 4.769 1.00 0.00 C ATOM 300 CG LYS A 35 -3.400 -9.557 4.315 1.00 0.00 C ATOM 301 CD LYS A 35 -2.163 -8.657 4.327 1.00 0.00 C ATOM 302 CE LYS A 35 -1.901 -8.160 5.754 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.127 -9.343 6.632 1.00 0.00 N ATOM 0 H LYS A 35 -5.689 -6.459 5.339 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.114 -7.566 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.431 -8.311 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.483 -9.405 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.249 -10.411 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.565 -9.954 3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.297 -9.207 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.311 -7.810 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.884 -7.782 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.573 -7.343 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.641 -9.199 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.147 -9.461 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.752 -10.195 6.169 1.00 0.00 H new ATOM 317 N ALA A 36 -6.108 -8.787 1.981 1.00 0.00 N ATOM 318 CA ALA A 36 -7.328 -9.150 1.203 1.00 0.00 C ATOM 319 C ALA A 36 -8.291 -9.928 2.105 1.00 0.00 C ATOM 320 O ALA A 36 -8.039 -10.084 3.282 1.00 0.00 O ATOM 321 CB ALA A 36 -6.821 -10.032 0.060 1.00 0.00 C ATOM 0 H ALA A 36 -5.243 -9.221 1.659 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.866 -8.280 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.662 -10.342 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.110 -9.470 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.329 -10.914 0.471 1.00 0.00 H new ATOM 327 N PRO A 37 -9.365 -10.399 1.528 1.00 0.00 N ATOM 328 CA PRO A 37 -10.355 -11.171 2.313 1.00 0.00 C ATOM 329 C PRO A 37 -9.778 -12.544 2.667 1.00 0.00 C ATOM 330 O PRO A 37 -9.667 -13.417 1.829 1.00 0.00 O ATOM 331 CB PRO A 37 -11.549 -11.294 1.370 1.00 0.00 C ATOM 332 CG PRO A 37 -10.974 -11.152 -0.002 1.00 0.00 C ATOM 333 CD PRO A 37 -9.758 -10.268 0.118 1.00 0.00 C ATOM 0 HA PRO A 37 -10.627 -10.701 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.050 -12.255 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.291 -10.520 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.704 -12.126 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.704 -10.713 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.961 -10.592 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.989 -9.234 -0.138 1.00 0.00 H new ATOM 341 N LYS A 38 -9.404 -12.737 3.902 1.00 0.00 N ATOM 342 CA LYS A 38 -8.824 -14.046 4.310 1.00 0.00 C ATOM 343 C LYS A 38 -7.534 -14.315 3.533 1.00 0.00 C ATOM 344 O LYS A 38 -7.274 -15.421 3.103 1.00 0.00 O ATOM 345 CB LYS A 38 -9.896 -15.073 3.953 1.00 0.00 C ATOM 346 CG LYS A 38 -10.553 -15.589 5.234 1.00 0.00 C ATOM 347 CD LYS A 38 -12.055 -15.300 5.188 1.00 0.00 C ATOM 348 CE LYS A 38 -12.832 -16.596 5.431 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.268 -16.523 6.855 1.00 0.00 N ATOM 0 H LYS A 38 -9.475 -12.043 4.646 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.565 -14.078 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.646 -14.621 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.452 -15.901 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.381 -16.660 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.106 -15.108 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.317 -14.559 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.325 -14.877 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.687 -16.675 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.206 -17.471 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.808 -17.378 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.433 -16.455 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.868 -15.685 6.992 1.00 0.00 H new ATOM 363 N ALA A 39 -6.721 -13.308 3.350 1.00 0.00 N ATOM 364 CA ALA A 39 -5.446 -13.503 2.600 1.00 0.00 C ATOM 365 C ALA A 39 -4.562 -14.525 3.317 1.00 0.00 C ATOM 366 O ALA A 39 -4.930 -15.071 4.338 1.00 0.00 O ATOM 367 CB ALA A 39 -4.778 -12.127 2.591 1.00 0.00 C ATOM 0 H ALA A 39 -6.885 -12.359 3.687 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.613 -13.881 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.830 -12.186 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.431 -11.409 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.596 -11.804 3.616 1.00 0.00 H new ATOM 373 N ARG A 40 -3.397 -14.791 2.791 1.00 0.00 N ATOM 374 CA ARG A 40 -2.494 -15.780 3.444 1.00 0.00 C ATOM 375 C ARG A 40 -1.028 -15.433 3.168 1.00 0.00 C ATOM 376 O ARG A 40 -0.190 -16.304 3.044 1.00 0.00 O ATOM 377 CB ARG A 40 -2.851 -17.121 2.805 1.00 0.00 C ATOM 378 CG ARG A 40 -2.396 -17.122 1.346 1.00 0.00 C ATOM 379 CD ARG A 40 -3.368 -17.955 0.506 1.00 0.00 C ATOM 380 NE ARG A 40 -3.036 -19.370 0.830 1.00 0.00 N ATOM 381 CZ ARG A 40 -3.766 -20.339 0.351 1.00 0.00 C ATOM 382 NH1 ARG A 40 -4.940 -20.080 -0.156 1.00 0.00 N ATOM 383 NH2 ARG A 40 -3.322 -21.566 0.377 1.00 0.00 N ATOM 0 H ARG A 40 -3.032 -14.366 1.938 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.617 -15.793 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.371 -17.935 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.926 -17.290 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.354 -16.101 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.389 -17.532 1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.404 -17.725 0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.244 -17.753 -0.558 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.237 -19.582 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.286 -19.121 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.512 -20.837 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.404 -21.768 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.893 -22.323 0.002 1.00 0.00 H new ATOM 395 N ILE A 41 -0.707 -14.171 3.070 1.00 0.00 N ATOM 396 CA ILE A 41 0.713 -13.795 2.799 1.00 0.00 C ATOM 397 C ILE A 41 1.512 -13.723 4.107 1.00 0.00 C ATOM 398 O ILE A 41 1.017 -14.046 5.168 1.00 0.00 O ATOM 399 CB ILE A 41 0.691 -12.430 2.083 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.328 -11.462 2.710 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.324 -12.644 0.615 1.00 0.00 C ATOM 402 CD1 ILE A 41 -0.268 -11.526 4.235 1.00 0.00 C ATOM 0 H ILE A 41 -1.357 -13.391 3.164 1.00 0.00 H new ATOM 0 HA ILE A 41 1.201 -14.543 2.174 1.00 0.00 H new ATOM 0 HB ILE A 41 1.682 -11.987 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.124 -10.445 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.333 -11.714 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.306 -11.683 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.064 -13.293 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.660 -13.109 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.997 -10.834 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.496 -12.539 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.731 -11.251 4.572 1.00 0.00 H new ATOM 414 N GLY A 42 2.751 -13.319 4.031 1.00 0.00 N ATOM 415 CA GLY A 42 3.596 -13.243 5.260 1.00 0.00 C ATOM 416 C GLY A 42 2.919 -12.370 6.318 1.00 0.00 C ATOM 417 O GLY A 42 1.847 -11.844 6.113 1.00 0.00 O ATOM 0 H GLY A 42 3.217 -13.037 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.762 -14.244 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.575 -12.832 5.012 1.00 0.00 H new ATOM 421 N ASP A 43 3.542 -12.216 7.453 1.00 0.00 N ATOM 422 CA ASP A 43 2.940 -11.378 8.529 1.00 0.00 C ATOM 423 C ASP A 43 2.994 -9.899 8.135 1.00 0.00 C ATOM 424 O ASP A 43 3.351 -9.557 7.025 1.00 0.00 O ATOM 425 CB ASP A 43 3.804 -11.637 9.764 1.00 0.00 C ATOM 426 CG ASP A 43 2.934 -11.570 11.020 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.791 -11.987 10.948 1.00 0.00 O ATOM 428 OD2 ASP A 43 3.427 -11.101 12.033 1.00 0.00 O ATOM 0 H ASP A 43 4.443 -12.635 7.683 1.00 0.00 H new ATOM 0 HA ASP A 43 1.893 -11.622 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.279 -12.615 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.603 -10.898 9.823 1.00 0.00 H new ATOM 433 N LEU A 44 2.635 -9.020 9.031 1.00 0.00 N ATOM 434 CA LEU A 44 2.659 -7.568 8.699 1.00 0.00 C ATOM 435 C LEU A 44 3.291 -6.763 9.841 1.00 0.00 C ATOM 436 O LEU A 44 2.982 -6.956 11.000 1.00 0.00 O ATOM 437 CB LEU A 44 1.185 -7.201 8.508 1.00 0.00 C ATOM 438 CG LEU A 44 0.530 -6.895 9.859 1.00 0.00 C ATOM 439 CD1 LEU A 44 0.709 -5.412 10.189 1.00 0.00 C ATOM 440 CD2 LEU A 44 -0.963 -7.223 9.785 1.00 0.00 C ATOM 0 H LEU A 44 2.327 -9.245 9.977 1.00 0.00 H new ATOM 0 HA LEU A 44 3.255 -7.347 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.102 -6.334 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.660 -8.022 8.020 1.00 0.00 H new ATOM 0 HG LEU A 44 0.999 -7.499 10.636 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.243 -5.194 11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.772 -5.176 10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.240 -4.807 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.431 -7.006 10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.430 -6.618 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.092 -8.279 9.549 1.00 0.00 H new ATOM 452 N ASP A 45 4.176 -5.859 9.518 1.00 0.00 N ATOM 453 CA ASP A 45 4.829 -5.039 10.579 1.00 0.00 C ATOM 454 C ASP A 45 3.972 -3.812 10.899 1.00 0.00 C ATOM 455 O ASP A 45 3.828 -3.423 12.042 1.00 0.00 O ATOM 456 CB ASP A 45 6.170 -4.612 9.982 1.00 0.00 C ATOM 457 CG ASP A 45 7.277 -4.809 11.020 1.00 0.00 C ATOM 458 OD1 ASP A 45 7.046 -4.482 12.172 1.00 0.00 O ATOM 459 OD2 ASP A 45 8.336 -5.282 10.644 1.00 0.00 O ATOM 0 H ASP A 45 4.475 -5.653 8.565 1.00 0.00 H new ATOM 0 HA ASP A 45 4.955 -5.593 11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.386 -5.199 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.127 -3.567 9.674 1.00 0.00 H new ATOM 464 N LYS A 46 3.404 -3.197 9.898 1.00 0.00 N ATOM 465 CA LYS A 46 2.559 -1.994 10.142 1.00 0.00 C ATOM 466 C LYS A 46 1.509 -1.851 9.040 1.00 0.00 C ATOM 467 O LYS A 46 1.602 -2.467 7.995 1.00 0.00 O ATOM 468 CB LYS A 46 3.530 -0.814 10.111 1.00 0.00 C ATOM 469 CG LYS A 46 3.978 -0.558 8.671 1.00 0.00 C ATOM 470 CD LYS A 46 5.505 -0.610 8.593 1.00 0.00 C ATOM 471 CE LYS A 46 6.074 0.796 8.789 1.00 0.00 C ATOM 472 NZ LYS A 46 7.531 0.592 9.022 1.00 0.00 N ATOM 0 H LYS A 46 3.489 -3.476 8.921 1.00 0.00 H new ATOM 0 HA LYS A 46 2.020 -2.055 11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.050 0.076 10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.395 -1.025 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.544 -1.305 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.619 0.415 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.896 -1.282 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.817 -1.009 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.898 1.419 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.605 1.297 9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.820 1.101 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.725 -0.423 9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.067 0.955 8.208 1.00 0.00 H new ATOM 486 N LYS A 47 0.512 -1.042 9.262 1.00 0.00 N ATOM 487 CA LYS A 47 -0.544 -0.857 8.225 1.00 0.00 C ATOM 488 C LYS A 47 -0.688 0.626 7.880 1.00 0.00 C ATOM 489 O LYS A 47 -1.776 1.122 7.664 1.00 0.00 O ATOM 490 CB LYS A 47 -1.830 -1.407 8.857 1.00 0.00 C ATOM 491 CG LYS A 47 -2.360 -0.451 9.935 1.00 0.00 C ATOM 492 CD LYS A 47 -1.865 -0.900 11.311 1.00 0.00 C ATOM 493 CE LYS A 47 -2.703 -0.226 12.401 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.809 -1.184 12.684 1.00 0.00 N ATOM 0 H LYS A 47 0.381 -0.500 10.116 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.307 -1.372 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.587 -1.549 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.635 -2.385 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.023 0.565 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.450 -0.436 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.938 -1.984 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.813 -0.640 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.108 -0.034 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.090 0.735 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.427 -0.792 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.362 -1.342 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.411 -2.088 13.010 1.00 0.00 H new ATOM 508 N LYS A 48 0.404 1.336 7.829 1.00 0.00 N ATOM 509 CA LYS A 48 0.336 2.789 7.500 1.00 0.00 C ATOM 510 C LYS A 48 1.694 3.272 6.985 1.00 0.00 C ATOM 511 O LYS A 48 2.630 3.442 7.740 1.00 0.00 O ATOM 512 CB LYS A 48 -0.011 3.477 8.821 1.00 0.00 C ATOM 513 CG LYS A 48 0.999 3.062 9.893 1.00 0.00 C ATOM 514 CD LYS A 48 0.255 2.526 11.118 1.00 0.00 C ATOM 515 CE LYS A 48 0.832 3.162 12.385 1.00 0.00 C ATOM 516 NZ LYS A 48 2.044 2.356 12.701 1.00 0.00 N ATOM 0 H LYS A 48 1.342 0.974 8.001 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.397 3.006 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.002 4.559 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.020 3.204 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.670 2.298 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.617 3.915 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.809 2.751 11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.349 1.441 11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.086 4.209 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.113 3.133 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.496 2.731 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.771 1.365 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.713 2.408 11.906 1.00 0.00 H new ATOM 530 N TYR A 49 1.810 3.488 5.703 1.00 0.00 N ATOM 531 CA TYR A 49 3.112 3.952 5.146 1.00 0.00 C ATOM 532 C TYR A 49 3.056 5.443 4.816 1.00 0.00 C ATOM 533 O TYR A 49 2.040 5.965 4.407 1.00 0.00 O ATOM 534 CB TYR A 49 3.314 3.143 3.866 1.00 0.00 C ATOM 535 CG TYR A 49 3.559 1.697 4.214 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.498 0.891 4.637 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.850 1.165 4.121 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.724 -0.451 4.969 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.079 -0.176 4.450 1.00 0.00 C ATOM 540 CZ TYR A 49 4.016 -0.984 4.875 1.00 0.00 C ATOM 541 OH TYR A 49 4.242 -2.306 5.201 1.00 0.00 O ATOM 0 H TYR A 49 1.063 3.364 5.020 1.00 0.00 H new ATOM 0 HA TYR A 49 3.926 3.811 5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.435 3.230 3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.158 3.540 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.502 1.304 4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.669 1.789 3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.904 -1.073 5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.075 -0.588 4.376 1.00 0.00 H new ATOM 0 HH TYR A 49 3.593 -2.873 4.735 1.00 0.00 H new ATOM 551 N LEU A 50 4.154 6.121 4.973 1.00 0.00 N ATOM 552 CA LEU A 50 4.195 7.573 4.647 1.00 0.00 C ATOM 553 C LEU A 50 5.144 7.779 3.470 1.00 0.00 C ATOM 554 O LEU A 50 6.344 7.871 3.637 1.00 0.00 O ATOM 555 CB LEU A 50 4.736 8.253 5.905 1.00 0.00 C ATOM 556 CG LEU A 50 3.886 9.482 6.228 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.851 9.121 7.295 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.789 10.602 6.751 1.00 0.00 C ATOM 0 H LEU A 50 5.032 5.731 5.315 1.00 0.00 H new ATOM 0 HA LEU A 50 3.222 7.979 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.720 7.556 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.775 8.546 5.754 1.00 0.00 H new ATOM 0 HG LEU A 50 3.375 9.818 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.245 9.997 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.208 8.323 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.361 8.785 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.184 11.479 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.300 10.266 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.527 10.860 5.991 1.00 0.00 H new ATOM 570 N VAL A 51 4.624 7.828 2.276 1.00 0.00 N ATOM 571 CA VAL A 51 5.514 8.001 1.094 1.00 0.00 C ATOM 572 C VAL A 51 5.161 9.279 0.334 1.00 0.00 C ATOM 573 O VAL A 51 4.037 9.731 0.368 1.00 0.00 O ATOM 574 CB VAL A 51 5.255 6.767 0.230 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.443 5.500 1.074 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.822 6.812 -0.304 1.00 0.00 C ATOM 0 H VAL A 51 3.628 7.756 2.067 1.00 0.00 H new ATOM 0 HA VAL A 51 6.563 8.093 1.377 1.00 0.00 H new ATOM 0 HB VAL A 51 5.957 6.755 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.258 4.621 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.463 5.466 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.742 5.511 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.636 5.933 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.122 6.824 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.686 7.711 -0.904 1.00 0.00 H new ATOM 586 N PRO A 52 6.147 9.819 -0.329 1.00 0.00 N ATOM 587 CA PRO A 52 5.947 11.062 -1.110 1.00 0.00 C ATOM 588 C PRO A 52 5.100 10.771 -2.355 1.00 0.00 C ATOM 589 O PRO A 52 5.119 9.682 -2.892 1.00 0.00 O ATOM 590 CB PRO A 52 7.371 11.486 -1.474 1.00 0.00 C ATOM 591 CG PRO A 52 8.172 10.225 -1.434 1.00 0.00 C ATOM 592 CD PRO A 52 7.526 9.325 -0.414 1.00 0.00 C ATOM 0 HA PRO A 52 5.414 11.842 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.406 11.945 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.757 12.221 -0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.189 9.748 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.207 10.434 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.558 8.281 -0.726 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.032 9.386 0.550 1.00 0.00 H new ATOM 600 N SER A 53 4.337 11.734 -2.799 1.00 0.00 N ATOM 601 CA SER A 53 3.462 11.520 -3.990 1.00 0.00 C ATOM 602 C SER A 53 4.291 11.242 -5.251 1.00 0.00 C ATOM 603 O SER A 53 3.774 10.808 -6.261 1.00 0.00 O ATOM 604 CB SER A 53 2.685 12.831 -4.140 1.00 0.00 C ATOM 605 OG SER A 53 2.489 13.413 -2.859 1.00 0.00 O ATOM 0 H SER A 53 4.282 12.665 -2.386 1.00 0.00 H new ATOM 0 HA SER A 53 2.809 10.657 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.232 13.519 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.723 12.644 -4.618 1.00 0.00 H new ATOM 0 HG SER A 53 1.993 14.253 -2.954 1.00 0.00 H new ATOM 611 N ASP A 54 5.568 11.496 -5.209 1.00 0.00 N ATOM 612 CA ASP A 54 6.415 11.253 -6.414 1.00 0.00 C ATOM 613 C ASP A 54 6.910 9.801 -6.458 1.00 0.00 C ATOM 614 O ASP A 54 7.460 9.360 -7.448 1.00 0.00 O ATOM 615 CB ASP A 54 7.595 12.216 -6.264 1.00 0.00 C ATOM 616 CG ASP A 54 7.942 12.812 -7.629 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.712 12.194 -8.346 1.00 0.00 O ATOM 618 OD2 ASP A 54 7.433 13.878 -7.934 1.00 0.00 O ATOM 0 H ASP A 54 6.063 11.861 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 54 5.860 11.415 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.343 13.010 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.458 11.690 -5.855 1.00 0.00 H new ATOM 623 N LEU A 55 6.737 9.056 -5.400 1.00 0.00 N ATOM 624 CA LEU A 55 7.222 7.643 -5.407 1.00 0.00 C ATOM 625 C LEU A 55 6.515 6.819 -6.478 1.00 0.00 C ATOM 626 O LEU A 55 5.329 6.950 -6.706 1.00 0.00 O ATOM 627 CB LEU A 55 6.875 7.066 -4.032 1.00 0.00 C ATOM 628 CG LEU A 55 8.132 6.965 -3.168 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.846 6.049 -1.976 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.289 6.372 -3.977 1.00 0.00 C ATOM 0 H LEU A 55 6.285 9.360 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 55 8.291 7.613 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.137 7.699 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.424 6.080 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 55 8.407 7.963 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.738 5.972 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.028 6.463 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.568 5.059 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.177 6.307 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.017 5.376 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.498 7.011 -4.835 1.00 0.00 H new ATOM 642 N THR A 56 7.240 5.945 -7.114 1.00 0.00 N ATOM 643 CA THR A 56 6.628 5.075 -8.154 1.00 0.00 C ATOM 644 C THR A 56 6.146 3.770 -7.509 1.00 0.00 C ATOM 645 O THR A 56 6.545 3.423 -6.411 1.00 0.00 O ATOM 646 CB THR A 56 7.749 4.799 -9.157 1.00 0.00 C ATOM 647 OG1 THR A 56 8.974 4.626 -8.457 1.00 0.00 O ATOM 648 CG2 THR A 56 7.872 5.980 -10.121 1.00 0.00 C ATOM 0 H THR A 56 8.237 5.795 -6.957 1.00 0.00 H new ATOM 0 HA THR A 56 5.767 5.538 -8.635 1.00 0.00 H new ATOM 0 HB THR A 56 7.521 3.894 -9.721 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.694 4.447 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.671 5.784 -10.836 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.931 6.113 -10.655 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.102 6.886 -9.560 1.00 0.00 H new ATOM 656 N VAL A 57 5.298 3.040 -8.177 1.00 0.00 N ATOM 657 CA VAL A 57 4.806 1.760 -7.596 1.00 0.00 C ATOM 658 C VAL A 57 5.984 0.822 -7.319 1.00 0.00 C ATOM 659 O VAL A 57 5.899 -0.074 -6.506 1.00 0.00 O ATOM 660 CB VAL A 57 3.886 1.169 -8.662 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.468 -0.244 -8.250 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.640 2.048 -8.804 1.00 0.00 C ATOM 0 H VAL A 57 4.925 3.273 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 57 4.287 1.906 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 57 4.414 1.128 -9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.811 -0.666 -9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.354 -0.870 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.940 -0.204 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.983 1.627 -9.565 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.113 2.089 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.937 3.055 -9.098 1.00 0.00 H new ATOM 672 N GLY A 58 7.085 1.024 -7.994 1.00 0.00 N ATOM 673 CA GLY A 58 8.270 0.146 -7.773 1.00 0.00 C ATOM 674 C GLY A 58 8.882 0.433 -6.399 1.00 0.00 C ATOM 675 O GLY A 58 9.295 -0.468 -5.697 1.00 0.00 O ATOM 0 H GLY A 58 7.214 1.759 -8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.975 -0.901 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.011 0.317 -8.554 1.00 0.00 H new ATOM 679 N GLN A 59 8.946 1.678 -6.008 1.00 0.00 N ATOM 680 CA GLN A 59 9.535 2.011 -4.674 1.00 0.00 C ATOM 681 C GLN A 59 8.629 1.487 -3.560 1.00 0.00 C ATOM 682 O GLN A 59 9.076 0.851 -2.617 1.00 0.00 O ATOM 683 CB GLN A 59 9.599 3.536 -4.635 1.00 0.00 C ATOM 684 CG GLN A 59 10.465 4.040 -5.789 1.00 0.00 C ATOM 685 CD GLN A 59 11.841 4.445 -5.257 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.671 3.601 -4.982 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.120 5.710 -5.099 1.00 0.00 N ATOM 0 H GLN A 59 8.618 2.477 -6.551 1.00 0.00 H new ATOM 0 HA GLN A 59 10.517 1.560 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.595 3.955 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.013 3.869 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.570 3.262 -6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.986 4.891 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.424 6.419 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.035 5.990 -4.745 1.00 0.00 H new ATOM 696 N PHE A 60 7.356 1.746 -3.655 1.00 0.00 N ATOM 697 CA PHE A 60 6.431 1.257 -2.597 1.00 0.00 C ATOM 698 C PHE A 60 6.492 -0.272 -2.526 1.00 0.00 C ATOM 699 O PHE A 60 6.605 -0.844 -1.464 1.00 0.00 O ATOM 700 CB PHE A 60 5.033 1.719 -3.017 1.00 0.00 C ATOM 701 CG PHE A 60 4.074 1.467 -1.876 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.382 1.933 -0.594 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.886 0.758 -2.096 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.506 1.694 0.471 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.011 0.515 -1.030 1.00 0.00 C ATOM 706 CZ PHE A 60 2.323 0.983 0.254 1.00 0.00 C ATOM 0 H PHE A 60 6.919 2.271 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 60 6.695 1.643 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.046 2.779 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.709 1.181 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.298 2.479 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.645 0.399 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.744 2.059 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.096 -0.033 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.649 0.794 1.076 1.00 0.00 H new ATOM 716 N TYR A 61 6.437 -0.938 -3.645 1.00 0.00 N ATOM 717 CA TYR A 61 6.502 -2.423 -3.625 1.00 0.00 C ATOM 718 C TYR A 61 7.693 -2.883 -2.787 1.00 0.00 C ATOM 719 O TYR A 61 7.724 -3.990 -2.284 1.00 0.00 O ATOM 720 CB TYR A 61 6.684 -2.816 -5.088 1.00 0.00 C ATOM 721 CG TYR A 61 5.648 -3.843 -5.465 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.630 -5.089 -4.827 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.701 -3.549 -6.452 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.664 -6.041 -5.177 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.736 -4.500 -6.804 1.00 0.00 C ATOM 726 CZ TYR A 61 3.717 -5.747 -6.165 1.00 0.00 C ATOM 727 OH TYR A 61 2.765 -6.683 -6.511 1.00 0.00 O ATOM 0 H TYR A 61 6.350 -0.518 -4.570 1.00 0.00 H new ATOM 0 HA TYR A 61 5.615 -2.879 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.589 -1.937 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.685 -3.218 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.361 -5.316 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.715 -2.587 -6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.650 -7.002 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.007 -4.273 -7.567 1.00 0.00 H new ATOM 0 HH TYR A 61 2.186 -6.317 -7.212 1.00 0.00 H new ATOM 737 N PHE A 62 8.669 -2.038 -2.626 1.00 0.00 N ATOM 738 CA PHE A 62 9.856 -2.421 -1.816 1.00 0.00 C ATOM 739 C PHE A 62 9.563 -2.258 -0.322 1.00 0.00 C ATOM 740 O PHE A 62 9.746 -3.173 0.455 1.00 0.00 O ATOM 741 CB PHE A 62 10.961 -1.459 -2.254 1.00 0.00 C ATOM 742 CG PHE A 62 12.293 -2.170 -2.205 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.420 -3.456 -2.742 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.401 -1.540 -1.624 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.654 -4.114 -2.696 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.635 -2.199 -1.578 1.00 0.00 C ATOM 747 CZ PHE A 62 14.762 -3.486 -2.114 1.00 0.00 C ATOM 0 H PHE A 62 8.697 -1.098 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 62 10.136 -3.463 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.766 -1.099 -3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.978 -0.586 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.566 -3.940 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.303 -0.547 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.752 -5.107 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.489 -1.714 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.714 -3.994 -2.079 1.00 0.00 H new ATOM 757 N LEU A 63 9.136 -1.095 0.098 1.00 0.00 N ATOM 758 CA LEU A 63 8.873 -0.900 1.561 1.00 0.00 C ATOM 759 C LEU A 63 7.803 -1.871 2.097 1.00 0.00 C ATOM 760 O LEU A 63 7.743 -2.117 3.285 1.00 0.00 O ATOM 761 CB LEU A 63 8.460 0.567 1.763 1.00 0.00 C ATOM 762 CG LEU A 63 7.318 0.982 0.830 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.975 0.554 1.423 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.345 2.508 0.690 1.00 0.00 C ATOM 0 H LEU A 63 8.960 -0.283 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 63 9.776 -1.122 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.153 0.717 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.321 1.212 1.589 1.00 0.00 H new ATOM 0 HG LEU A 63 7.442 0.504 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.169 0.853 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.961 -0.529 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.837 1.032 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.539 2.827 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.213 2.966 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.302 2.818 0.271 1.00 0.00 H new ATOM 776 N ILE A 64 6.983 -2.462 1.260 1.00 0.00 N ATOM 777 CA ILE A 64 5.979 -3.438 1.805 1.00 0.00 C ATOM 778 C ILE A 64 6.584 -4.835 1.775 1.00 0.00 C ATOM 779 O ILE A 64 6.443 -5.604 2.702 1.00 0.00 O ATOM 780 CB ILE A 64 4.753 -3.416 0.892 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.460 -1.999 0.421 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.543 -3.959 1.660 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.069 -1.950 -0.215 1.00 0.00 C ATOM 0 H ILE A 64 6.962 -2.319 0.250 1.00 0.00 H new ATOM 0 HA ILE A 64 5.704 -3.174 2.826 1.00 0.00 H new ATOM 0 HB ILE A 64 4.952 -4.038 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.512 -1.307 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.213 -1.681 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.666 -3.945 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.743 -4.982 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.358 -3.336 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.859 -0.935 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.034 -2.630 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.322 -2.250 0.520 1.00 0.00 H new ATOM 795 N ARG A 65 7.245 -5.165 0.699 1.00 0.00 N ATOM 796 CA ARG A 65 7.867 -6.519 0.573 1.00 0.00 C ATOM 797 C ARG A 65 8.425 -6.986 1.921 1.00 0.00 C ATOM 798 O ARG A 65 8.039 -8.014 2.438 1.00 0.00 O ATOM 799 CB ARG A 65 8.997 -6.339 -0.442 1.00 0.00 C ATOM 800 CG ARG A 65 8.840 -7.361 -1.570 1.00 0.00 C ATOM 801 CD ARG A 65 9.736 -6.966 -2.746 1.00 0.00 C ATOM 802 NE ARG A 65 9.063 -7.534 -3.947 1.00 0.00 N ATOM 803 CZ ARG A 65 9.552 -8.596 -4.529 1.00 0.00 C ATOM 804 NH1 ARG A 65 9.966 -9.603 -3.810 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.625 -8.650 -5.831 1.00 0.00 N ATOM 0 H ARG A 65 7.383 -4.552 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 65 7.146 -7.273 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.977 -5.328 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.963 -6.467 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.107 -8.356 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.799 -7.407 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.833 -5.883 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.742 -7.369 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 65 8.220 -7.093 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.908 -9.561 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.348 -10.432 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.300 -7.863 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.007 -9.479 -6.286 1.00 0.00 H new ATOM 817 N LYS A 66 9.327 -6.238 2.496 1.00 0.00 N ATOM 818 CA LYS A 66 9.898 -6.647 3.812 1.00 0.00 C ATOM 819 C LYS A 66 8.832 -6.533 4.905 1.00 0.00 C ATOM 820 O LYS A 66 8.823 -7.286 5.859 1.00 0.00 O ATOM 821 CB LYS A 66 11.041 -5.664 4.071 1.00 0.00 C ATOM 822 CG LYS A 66 12.332 -6.205 3.452 1.00 0.00 C ATOM 823 CD LYS A 66 12.973 -5.122 2.580 1.00 0.00 C ATOM 824 CE LYS A 66 13.539 -4.016 3.473 1.00 0.00 C ATOM 825 NZ LYS A 66 15.018 -4.121 3.323 1.00 0.00 N ATOM 0 H LYS A 66 9.692 -5.365 2.114 1.00 0.00 H new ATOM 0 HA LYS A 66 10.244 -7.681 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.801 -4.690 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.173 -5.518 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.024 -6.512 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.118 -7.090 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.767 -5.554 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.234 -4.708 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.179 -3.035 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.237 -4.153 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.479 -3.394 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.332 -5.063 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.277 -3.980 2.326 1.00 0.00 H new ATOM 839 N ARG A 67 7.934 -5.596 4.772 1.00 0.00 N ATOM 840 CA ARG A 67 6.867 -5.427 5.801 1.00 0.00 C ATOM 841 C ARG A 67 5.813 -6.533 5.670 1.00 0.00 C ATOM 842 O ARG A 67 4.934 -6.664 6.499 1.00 0.00 O ATOM 843 CB ARG A 67 6.249 -4.061 5.507 1.00 0.00 C ATOM 844 CG ARG A 67 7.310 -2.973 5.684 1.00 0.00 C ATOM 845 CD ARG A 67 7.717 -2.891 7.157 1.00 0.00 C ATOM 846 NE ARG A 67 9.175 -3.194 7.169 1.00 0.00 N ATOM 847 CZ ARG A 67 10.017 -2.380 6.594 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.820 -1.091 6.652 1.00 0.00 N ATOM 849 NH2 ARG A 67 11.054 -2.853 5.960 1.00 0.00 N ATOM 0 H ARG A 67 7.892 -4.938 3.994 1.00 0.00 H new ATOM 0 HA ARG A 67 7.262 -5.489 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.856 -4.039 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.409 -3.878 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.181 -3.196 5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.920 -2.012 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.516 -1.902 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.160 -3.607 7.761 1.00 0.00 H new ATOM 0 HE ARG A 67 9.516 -4.039 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.008 -0.721 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.478 -0.454 6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.207 -3.860 5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.712 -2.216 5.511 1.00 0.00 H new ATOM 861 N ILE A 68 5.895 -7.335 4.642 1.00 0.00 N ATOM 862 CA ILE A 68 4.899 -8.431 4.471 1.00 0.00 C ATOM 863 C ILE A 68 5.497 -9.748 4.968 1.00 0.00 C ATOM 864 O ILE A 68 4.819 -10.749 5.074 1.00 0.00 O ATOM 865 CB ILE A 68 4.633 -8.497 2.959 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.683 -7.369 2.492 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.997 -9.842 2.610 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.262 -6.453 3.650 1.00 0.00 C ATOM 0 H ILE A 68 6.608 -7.278 3.915 1.00 0.00 H new ATOM 0 HA ILE A 68 3.982 -8.256 5.034 1.00 0.00 H new ATOM 0 HB ILE A 68 5.590 -8.376 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.176 -6.776 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.795 -7.808 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.809 -9.888 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.672 -10.649 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.056 -9.950 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.596 -5.676 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.745 -7.040 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.147 -5.992 4.089 1.00 0.00 H new ATOM 880 N HIS A 69 6.765 -9.749 5.272 1.00 0.00 N ATOM 881 CA HIS A 69 7.416 -10.995 5.759 1.00 0.00 C ATOM 882 C HIS A 69 7.472 -12.030 4.638 1.00 0.00 C ATOM 883 O HIS A 69 7.461 -13.221 4.875 1.00 0.00 O ATOM 884 CB HIS A 69 6.539 -11.486 6.910 1.00 0.00 C ATOM 885 CG HIS A 69 7.413 -11.941 8.048 1.00 0.00 C ATOM 886 ND1 HIS A 69 7.147 -12.164 9.376 1.00 0.00 N flip ATOM 887 CD2 HIS A 69 8.758 -12.229 7.878 1.00 0.00 C flip ATOM 888 CE1 HIS A 69 8.306 -12.583 10.022 1.00 0.00 C flip ATOM 889 NE2 HIS A 69 9.247 -12.605 9.075 1.00 0.00 N flip ATOM 0 H HIS A 69 7.379 -8.938 5.204 1.00 0.00 H new ATOM 0 HA HIS A 69 8.442 -10.825 6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.877 -10.687 7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.905 -12.306 6.574 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.313 -12.164 6.954 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.420 -12.836 11.066 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.217 -12.874 9.238 1.00 0.00 H new ATOM 897 N LEU A 70 7.544 -11.581 3.418 1.00 0.00 N ATOM 898 CA LEU A 70 7.614 -12.545 2.279 1.00 0.00 C ATOM 899 C LEU A 70 9.075 -12.904 1.988 1.00 0.00 C ATOM 900 O LEU A 70 9.984 -12.207 2.391 1.00 0.00 O ATOM 901 CB LEU A 70 6.953 -11.854 1.071 1.00 0.00 C ATOM 902 CG LEU A 70 7.423 -10.397 0.915 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.952 -10.323 0.924 1.00 0.00 C ATOM 904 CD2 LEU A 70 6.906 -9.856 -0.420 1.00 0.00 C ATOM 0 H LEU A 70 7.558 -10.595 3.157 1.00 0.00 H new ATOM 0 HA LEU A 70 7.096 -13.477 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.186 -12.410 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.870 -11.875 1.189 1.00 0.00 H new ATOM 0 HG LEU A 70 7.037 -9.806 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.267 -9.285 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.330 -10.718 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.350 -10.913 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.232 -8.823 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.301 -10.462 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.817 -9.897 -0.432 1.00 0.00 H new ATOM 916 N ARG A 71 9.313 -13.992 1.306 1.00 0.00 N ATOM 917 CA ARG A 71 10.723 -14.385 1.015 1.00 0.00 C ATOM 918 C ARG A 71 10.773 -15.452 -0.087 1.00 0.00 C ATOM 919 O ARG A 71 9.802 -15.701 -0.772 1.00 0.00 O ATOM 920 CB ARG A 71 11.244 -14.951 2.340 1.00 0.00 C ATOM 921 CG ARG A 71 10.734 -16.385 2.532 1.00 0.00 C ATOM 922 CD ARG A 71 10.107 -16.524 3.921 1.00 0.00 C ATOM 923 NE ARG A 71 9.111 -17.623 3.784 1.00 0.00 N ATOM 924 CZ ARG A 71 8.912 -18.449 4.774 1.00 0.00 C ATOM 925 NH1 ARG A 71 9.927 -18.982 5.395 1.00 0.00 N ATOM 926 NH2 ARG A 71 7.694 -18.744 5.143 1.00 0.00 N ATOM 0 H ARG A 71 8.599 -14.622 0.940 1.00 0.00 H new ATOM 0 HA ARG A 71 11.321 -13.547 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.334 -14.939 2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.913 -14.324 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.999 -16.626 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.556 -17.092 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.860 -16.764 4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.630 -15.595 4.234 1.00 0.00 H new ATOM 0 HE ARG A 71 8.585 -17.730 2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.878 -18.753 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.770 -19.628 6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.899 -18.329 4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.538 -19.390 5.917 1.00 0.00 H new ATOM 938 N ALA A 72 11.905 -16.083 -0.255 1.00 0.00 N ATOM 939 CA ALA A 72 12.033 -17.137 -1.300 1.00 0.00 C ATOM 940 C ALA A 72 11.357 -16.690 -2.601 1.00 0.00 C ATOM 941 O ALA A 72 11.943 -15.988 -3.401 1.00 0.00 O ATOM 942 CB ALA A 72 11.336 -18.365 -0.709 1.00 0.00 C ATOM 0 H ALA A 72 12.750 -15.912 0.290 1.00 0.00 H new ATOM 0 HA ALA A 72 13.073 -17.345 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.386 -19.189 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 72 11.832 -18.654 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.292 -18.127 -0.503 1.00 0.00 H new ATOM 948 N GLU A 73 10.137 -17.094 -2.830 1.00 0.00 N ATOM 949 CA GLU A 73 9.449 -16.693 -4.088 1.00 0.00 C ATOM 950 C GLU A 73 7.932 -16.623 -3.878 1.00 0.00 C ATOM 951 O GLU A 73 7.161 -16.825 -4.795 1.00 0.00 O ATOM 952 CB GLU A 73 9.819 -17.790 -5.088 1.00 0.00 C ATOM 953 CG GLU A 73 8.904 -19.005 -4.903 1.00 0.00 C ATOM 954 CD GLU A 73 9.634 -20.268 -5.367 1.00 0.00 C ATOM 955 OE1 GLU A 73 9.528 -20.593 -6.538 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.287 -20.888 -4.544 1.00 0.00 O ATOM 0 H GLU A 73 9.589 -17.682 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 73 9.749 -15.704 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.730 -17.410 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.859 -18.084 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.617 -19.102 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.985 -18.872 -5.474 1.00 0.00 H new ATOM 963 N ASP A 74 7.498 -16.341 -2.681 1.00 0.00 N ATOM 964 CA ASP A 74 6.032 -16.260 -2.426 1.00 0.00 C ATOM 965 C ASP A 74 5.363 -15.409 -3.496 1.00 0.00 C ATOM 966 O ASP A 74 5.997 -14.848 -4.367 1.00 0.00 O ATOM 967 CB ASP A 74 5.899 -15.625 -1.031 1.00 0.00 C ATOM 968 CG ASP A 74 4.670 -14.713 -0.940 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.692 -13.658 -1.552 1.00 0.00 O ATOM 970 OD2 ASP A 74 3.729 -15.088 -0.259 1.00 0.00 O ATOM 0 H ASP A 74 8.092 -16.164 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 74 5.546 -17.235 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.826 -16.410 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.797 -15.050 -0.805 1.00 0.00 H new ATOM 975 N ALA A 75 4.078 -15.320 -3.419 1.00 0.00 N ATOM 976 CA ALA A 75 3.315 -14.514 -4.414 1.00 0.00 C ATOM 977 C ALA A 75 2.644 -13.322 -3.726 1.00 0.00 C ATOM 978 O ALA A 75 2.164 -13.425 -2.614 1.00 0.00 O ATOM 979 CB ALA A 75 2.263 -15.468 -4.978 1.00 0.00 C ATOM 0 H ALA A 75 3.509 -15.773 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 75 3.958 -14.110 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.659 -14.946 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.757 -16.319 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.621 -15.820 -4.171 1.00 0.00 H new ATOM 985 N LEU A 76 2.606 -12.193 -4.379 1.00 0.00 N ATOM 986 CA LEU A 76 1.963 -10.999 -3.759 1.00 0.00 C ATOM 987 C LEU A 76 1.348 -10.105 -4.834 1.00 0.00 C ATOM 988 O LEU A 76 1.802 -10.061 -5.960 1.00 0.00 O ATOM 989 CB LEU A 76 3.090 -10.262 -3.042 1.00 0.00 C ATOM 990 CG LEU A 76 2.585 -8.904 -2.548 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.784 -9.095 -1.259 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.779 -7.987 -2.271 1.00 0.00 C ATOM 0 H LEU A 76 2.991 -12.045 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 76 1.159 -11.279 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.449 -10.856 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.934 -10.123 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 76 1.948 -8.455 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.425 -8.128 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.934 -9.750 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.422 -9.544 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.421 -7.020 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.415 -8.438 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.353 -7.850 -3.188 1.00 0.00 H new ATOM 1004 N PHE A 77 0.320 -9.390 -4.481 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.346 -8.486 -5.458 1.00 0.00 C ATOM 1006 C PHE A 77 -1.125 -7.400 -4.714 1.00 0.00 C ATOM 1007 O PHE A 77 -1.977 -7.690 -3.895 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.304 -9.388 -6.233 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.528 -10.494 -6.904 1.00 0.00 C ATOM 1010 CD1 PHE A 77 0.165 -10.241 -8.095 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.496 -11.772 -6.333 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.889 -11.266 -8.714 1.00 0.00 C ATOM 1013 CE2 PHE A 77 0.229 -12.797 -6.954 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.921 -12.544 -8.144 1.00 0.00 C ATOM 0 H PHE A 77 -0.092 -9.393 -3.548 1.00 0.00 H new ATOM 0 HA PHE A 77 0.365 -7.983 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.048 -9.810 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.845 -8.805 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.140 -9.255 -8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.030 -11.967 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.423 -11.071 -9.632 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.254 -13.783 -6.514 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.480 -13.335 -8.622 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.833 -6.151 -4.974 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.552 -5.060 -4.266 1.00 0.00 C ATOM 1026 C PHE A 78 -2.870 -4.708 -4.956 1.00 0.00 C ATOM 1027 O PHE A 78 -2.898 -4.289 -6.096 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.604 -3.875 -4.344 1.00 0.00 C ATOM 1029 CG PHE A 78 0.653 -4.164 -3.563 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.737 -5.280 -2.721 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.729 -3.295 -3.675 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.905 -5.517 -1.988 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.899 -3.528 -2.948 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.988 -4.638 -2.100 1.00 0.00 C ATOM 0 H PHE A 78 -0.129 -5.844 -5.645 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.808 -5.347 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.355 -3.667 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.091 -2.984 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.100 -5.958 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.662 -2.436 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.971 -6.376 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.735 -2.851 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.890 -4.816 -1.534 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.958 -4.844 -4.254 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.276 -4.486 -4.836 1.00 0.00 C ATOM 1046 C PHE A 79 -5.765 -3.187 -4.201 1.00 0.00 C ATOM 1047 O PHE A 79 -5.909 -3.085 -2.997 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.209 -5.628 -4.462 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.608 -6.943 -4.897 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.823 -7.412 -6.199 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -4.840 -7.696 -3.999 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.269 -8.632 -6.604 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.287 -8.916 -4.405 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.501 -9.384 -5.707 1.00 0.00 C ATOM 0 H PHE A 79 -3.989 -5.190 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.229 -4.342 -5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.378 -5.634 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.180 -5.487 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.416 -6.832 -6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.675 -7.335 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.434 -8.993 -7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.695 -9.497 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.074 -10.325 -6.019 1.00 0.00 H new ATOM 1064 N VAL A 80 -6.014 -2.195 -4.998 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.494 -0.897 -4.444 1.00 0.00 C ATOM 1066 C VAL A 80 -7.852 -0.540 -5.053 1.00 0.00 C ATOM 1067 O VAL A 80 -8.011 -0.505 -6.257 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.434 0.137 -4.838 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.521 1.331 -3.886 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -4.036 -0.481 -4.738 1.00 0.00 C ATOM 0 H VAL A 80 -5.907 -2.222 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.627 -0.936 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.612 0.460 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.769 2.071 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.512 1.779 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.343 0.995 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.289 0.261 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.855 -0.807 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.968 -1.337 -5.409 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.832 -0.277 -4.236 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.177 0.073 -4.777 1.00 0.00 C ATOM 1082 C ASN A 81 -10.622 -0.979 -5.799 1.00 0.00 C ATOM 1083 O ASN A 81 -11.286 -0.673 -6.770 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.994 1.433 -5.452 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.362 2.013 -5.814 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -12.291 2.080 -4.899 1.00 0.00 O flip ATOM 1087 ND2 ASN A 81 -11.590 2.406 -6.940 1.00 0.00 N flip ATOM 0 H ASN A 81 -8.762 -0.289 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.940 0.106 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.464 2.113 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.384 1.326 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.864 2.354 -7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.507 2.788 -7.171 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.261 -2.215 -5.586 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.661 -3.291 -6.542 1.00 0.00 C ATOM 1096 C ASN A 82 -9.921 -3.126 -7.873 1.00 0.00 C ATOM 1097 O ASN A 82 -10.452 -3.410 -8.927 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.167 -3.115 -6.740 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.879 -4.433 -6.426 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.245 -5.457 -6.270 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -14.180 -4.451 -6.327 1.00 0.00 N ATOM 0 H ASN A 82 -9.705 -2.528 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.415 -4.284 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.540 -2.324 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.377 -2.811 -7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.664 -5.325 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.713 -3.591 -6.458 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.696 -2.677 -7.831 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.921 -2.502 -9.095 1.00 0.00 C ATOM 1110 C VAL A 83 -6.506 -3.060 -8.920 1.00 0.00 C ATOM 1111 O VAL A 83 -6.068 -3.320 -7.818 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.868 -0.991 -9.345 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.576 -0.728 -10.823 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.210 -0.351 -8.977 1.00 0.00 C ATOM 0 H VAL A 83 -8.198 -2.424 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.381 -3.030 -9.930 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.080 -0.557 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.538 0.347 -11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.618 -1.174 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.364 -1.169 -11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.163 0.723 -9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.001 -0.787 -9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.423 -0.532 -7.923 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.788 -3.226 -10.000 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.397 -3.764 -9.917 1.00 0.00 C ATOM 1126 C ILE A 84 -3.591 -3.294 -11.131 1.00 0.00 C ATOM 1127 O ILE A 84 -3.268 -4.076 -12.002 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.527 -5.294 -9.977 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.744 -5.782 -9.183 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.265 -5.931 -9.395 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.015 -5.590 -10.014 1.00 0.00 C ATOM 0 H ILE A 84 -6.108 -3.010 -10.944 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.896 -3.428 -9.009 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.656 -5.584 -11.020 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.623 -6.834 -8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.824 -5.230 -8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.353 -7.017 -9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.398 -5.616 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.143 -5.616 -8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.877 -5.938 -9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.139 -4.533 -10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.935 -6.162 -10.939 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.294 -2.024 -11.143 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.517 -1.433 -12.261 1.00 0.00 C ATOM 1145 C PRO A 85 -1.048 -1.862 -12.182 1.00 0.00 C ATOM 1146 O PRO A 85 -0.599 -2.360 -11.168 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.658 0.071 -12.037 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.935 0.222 -10.576 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.650 -1.027 -10.127 1.00 0.00 C ATOM 0 HA PRO A 85 -2.871 -1.749 -13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.748 0.599 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.469 0.485 -12.637 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.007 0.355 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.547 1.104 -10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.327 -1.337 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.728 -0.874 -10.078 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.349 -1.650 -13.264 1.00 0.00 N ATOM 1158 CA PRO A 86 1.087 -2.017 -13.331 1.00 0.00 C ATOM 1159 C PRO A 86 1.924 -1.047 -12.496 1.00 0.00 C ATOM 1160 O PRO A 86 1.408 -0.141 -11.873 1.00 0.00 O ATOM 1161 CB PRO A 86 1.421 -1.887 -14.815 1.00 0.00 C ATOM 1162 CG PRO A 86 0.418 -0.917 -15.354 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.827 -1.054 -14.516 1.00 0.00 C ATOM 0 HA PRO A 86 1.295 -3.013 -12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.439 -1.524 -14.960 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.351 -2.850 -15.321 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.804 0.101 -15.307 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.202 -1.128 -16.401 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.300 -0.087 -14.343 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.568 -1.688 -15.003 1.00 0.00 H new ATOM 1171 N THR A 87 3.215 -1.234 -12.477 1.00 0.00 N ATOM 1172 CA THR A 87 4.086 -0.324 -11.676 1.00 0.00 C ATOM 1173 C THR A 87 4.463 0.918 -12.484 1.00 0.00 C ATOM 1174 O THR A 87 5.413 1.609 -12.179 1.00 0.00 O ATOM 1175 CB THR A 87 5.334 -1.137 -11.344 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.603 -2.051 -12.398 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.117 -1.904 -10.038 1.00 0.00 C ATOM 0 H THR A 87 3.705 -1.975 -12.979 1.00 0.00 H new ATOM 0 HA THR A 87 3.576 0.026 -10.778 1.00 0.00 H new ATOM 0 HB THR A 87 6.183 -0.463 -11.227 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.181 -2.913 -12.199 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.010 -2.484 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.920 -1.199 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.266 -2.577 -10.148 1.00 0.00 H new ATOM 1185 N SER A 88 3.717 1.205 -13.504 1.00 0.00 N ATOM 1186 CA SER A 88 4.009 2.406 -14.337 1.00 0.00 C ATOM 1187 C SER A 88 3.234 3.604 -13.788 1.00 0.00 C ATOM 1188 O SER A 88 2.690 4.402 -14.526 1.00 0.00 O ATOM 1189 CB SER A 88 3.525 2.046 -15.741 1.00 0.00 C ATOM 1190 OG SER A 88 3.831 0.684 -16.009 1.00 0.00 O ATOM 0 H SER A 88 2.910 0.658 -13.803 1.00 0.00 H new ATOM 0 HA SER A 88 5.066 2.673 -14.336 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.451 2.212 -15.821 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.003 2.690 -16.479 1.00 0.00 H new ATOM 0 HG SER A 88 3.520 0.450 -16.908 1.00 0.00 H new ATOM 1196 N ALA A 89 3.175 3.725 -12.491 1.00 0.00 N ATOM 1197 CA ALA A 89 2.431 4.861 -11.873 1.00 0.00 C ATOM 1198 C ALA A 89 3.124 5.311 -10.590 1.00 0.00 C ATOM 1199 O ALA A 89 4.205 4.866 -10.261 1.00 0.00 O ATOM 1200 CB ALA A 89 1.044 4.299 -11.561 1.00 0.00 C ATOM 0 H ALA A 89 3.612 3.084 -11.829 1.00 0.00 H new ATOM 0 HA ALA A 89 2.384 5.730 -12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.432 5.075 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.572 3.963 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.138 3.458 -10.874 1.00 0.00 H new ATOM 1206 N THR A 90 2.506 6.198 -9.873 1.00 0.00 N ATOM 1207 CA THR A 90 3.120 6.697 -8.608 1.00 0.00 C ATOM 1208 C THR A 90 2.052 6.840 -7.520 1.00 0.00 C ATOM 1209 O THR A 90 0.895 7.098 -7.796 1.00 0.00 O ATOM 1210 CB THR A 90 3.709 8.062 -8.966 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.663 8.938 -9.363 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.706 7.902 -10.116 1.00 0.00 C ATOM 0 H THR A 90 1.599 6.604 -10.104 1.00 0.00 H new ATOM 0 HA THR A 90 3.877 6.016 -8.220 1.00 0.00 H new ATOM 0 HB THR A 90 4.221 8.477 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.039 9.814 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.126 8.875 -10.371 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.508 7.229 -9.812 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.195 7.488 -10.985 1.00 0.00 H new ATOM 1220 N MET A 91 2.431 6.669 -6.282 1.00 0.00 N ATOM 1221 CA MET A 91 1.440 6.787 -5.177 1.00 0.00 C ATOM 1222 C MET A 91 0.809 8.179 -5.187 1.00 0.00 C ATOM 1223 O MET A 91 -0.378 8.336 -4.983 1.00 0.00 O ATOM 1224 CB MET A 91 2.241 6.566 -3.893 1.00 0.00 C ATOM 1225 CG MET A 91 2.852 5.164 -3.908 1.00 0.00 C ATOM 1226 SD MET A 91 2.171 4.194 -2.541 1.00 0.00 S ATOM 1227 CE MET A 91 1.499 2.838 -3.536 1.00 0.00 C ATOM 0 H MET A 91 3.384 6.453 -5.989 1.00 0.00 H new ATOM 0 HA MET A 91 0.627 6.067 -5.272 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.027 7.316 -3.809 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.594 6.683 -3.024 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.639 4.673 -4.858 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.936 5.227 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.931 2.163 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.844 3.243 -4.308 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.317 2.291 -4.005 1.00 0.00 H new ATOM 1237 N GLY A 92 1.593 9.190 -5.427 1.00 0.00 N ATOM 1238 CA GLY A 92 1.034 10.568 -5.453 1.00 0.00 C ATOM 1239 C GLY A 92 -0.178 10.607 -6.378 1.00 0.00 C ATOM 1240 O GLY A 92 -1.213 11.148 -6.043 1.00 0.00 O ATOM 0 H GLY A 92 2.595 9.122 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.747 10.875 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.791 11.273 -5.798 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.060 10.037 -7.544 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.210 10.044 -8.489 1.00 0.00 C ATOM 1246 C GLN A 93 -2.349 9.187 -7.924 1.00 0.00 C ATOM 1247 O GLN A 93 -3.509 9.433 -8.187 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.653 9.482 -9.813 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.988 7.991 -9.972 1.00 0.00 C ATOM 1250 CD GLN A 93 -2.455 7.838 -10.379 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -3.051 8.754 -10.908 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -3.067 6.707 -10.153 1.00 0.00 N ATOM 0 H GLN A 93 0.780 9.568 -7.883 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.629 11.038 -8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.068 10.042 -10.651 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.428 9.619 -9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.342 7.541 -10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.802 7.464 -9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.567 5.937 -9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.045 6.594 -10.421 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.029 8.191 -7.141 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.103 7.341 -6.559 1.00 0.00 C ATOM 1263 C LEU A 94 -3.901 8.143 -5.534 1.00 0.00 C ATOM 1264 O LEU A 94 -5.022 7.823 -5.217 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.372 6.166 -5.905 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.252 6.362 -4.390 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.547 5.915 -3.717 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.089 5.524 -3.862 1.00 0.00 C ATOM 0 H LEU A 94 -1.077 7.932 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.817 6.994 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.908 5.240 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.378 6.064 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.072 7.414 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.464 6.054 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.378 6.510 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.725 4.862 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.001 5.662 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.271 4.472 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.164 5.840 -4.345 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.329 9.176 -5.002 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.074 9.969 -3.994 1.00 0.00 C ATOM 1282 C TYR A 95 -5.475 10.289 -4.528 1.00 0.00 C ATOM 1283 O TYR A 95 -6.468 10.007 -3.895 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.251 11.244 -3.810 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.258 11.636 -2.355 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -3.012 10.671 -1.374 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.513 12.962 -1.988 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -3.020 11.030 -0.022 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.521 13.323 -0.635 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.275 12.358 0.348 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.283 12.713 1.681 1.00 0.00 O ATOM 0 H TYR A 95 -2.388 9.505 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.206 9.440 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.228 11.082 -4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.665 12.049 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.816 9.648 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.703 13.706 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.830 10.285 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.717 14.346 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.475 13.671 1.763 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.562 10.865 -5.693 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.901 11.191 -6.268 1.00 0.00 C ATOM 1303 C GLN A 96 -7.661 9.917 -6.684 1.00 0.00 C ATOM 1304 O GLN A 96 -8.857 9.943 -6.892 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.597 12.050 -7.495 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.715 13.079 -7.683 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.282 14.420 -7.086 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -7.445 15.453 -7.703 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -6.734 14.446 -5.902 1.00 0.00 N ATOM 0 H GLN A 96 -4.765 11.125 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.536 11.700 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.639 12.555 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.513 11.421 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.940 13.197 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.628 12.732 -7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.597 13.578 -5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.442 15.334 -5.494 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.970 8.820 -6.860 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.649 7.565 -7.325 1.00 0.00 C ATOM 1320 C GLU A 97 -8.207 6.681 -6.187 1.00 0.00 C ATOM 1321 O GLU A 97 -9.377 6.354 -6.176 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.567 6.802 -8.091 1.00 0.00 C ATOM 1323 CG GLU A 97 -7.073 6.477 -9.498 1.00 0.00 C ATOM 1324 CD GLU A 97 -6.438 5.172 -9.982 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -5.541 4.690 -9.310 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -6.859 4.678 -11.014 1.00 0.00 O ATOM 0 H GLU A 97 -5.966 8.735 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.524 7.822 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.657 7.399 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.312 5.883 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.159 6.385 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.825 7.289 -10.181 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.379 6.228 -5.280 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.864 5.300 -4.219 1.00 0.00 C ATOM 1335 C HIS A 98 -8.163 6.008 -2.891 1.00 0.00 C ATOM 1336 O HIS A 98 -7.893 5.484 -1.822 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.700 4.334 -4.057 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.318 3.784 -5.403 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -5.126 3.322 -5.894 1.00 0.00 N flip ATOM 1340 CD2 HIS A 98 -7.231 3.652 -6.438 1.00 0.00 C flip ATOM 1341 CE1 HIS A 98 -5.289 2.908 -7.214 1.00 0.00 C flip ATOM 1342 NE2 HIS A 98 -6.577 3.128 -7.491 1.00 0.00 N flip ATOM 0 H HIS A 98 -6.387 6.462 -5.230 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.807 4.827 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.849 4.844 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.978 3.522 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.277 3.921 -6.405 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.537 2.498 -7.871 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.012 2.924 -8.391 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.743 7.173 -2.945 1.00 0.00 N ATOM 1351 CA HIS A 99 -9.096 7.897 -1.687 1.00 0.00 C ATOM 1352 C HIS A 99 -10.614 7.827 -1.466 1.00 0.00 C ATOM 1353 O HIS A 99 -11.336 7.278 -2.274 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.636 9.335 -1.926 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.570 10.031 -2.868 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -9.349 10.569 -4.093 1.00 0.00 N flip ATOM 1357 CD2 HIS A 99 -10.908 10.261 -2.585 1.00 0.00 C flip ATOM 1358 CE1 HIS A 99 -10.522 11.129 -4.588 1.00 0.00 C flip ATOM 1359 NE2 HIS A 99 -11.433 10.916 -3.637 1.00 0.00 N flip ATOM 0 H HIS A 99 -8.990 7.659 -3.807 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.628 7.471 -0.800 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.596 9.873 -0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.626 9.337 -2.337 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -11.432 9.969 -1.687 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.664 11.627 -5.535 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.407 11.213 -3.699 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.283 10.127 3.486 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.753 8.743 3.640 1.00 0.00 C ATOM 1431 C PHE A 104 -6.318 7.831 2.541 1.00 0.00 C ATOM 1432 O PHE A 104 -7.501 7.849 2.261 1.00 0.00 O ATOM 1433 CB PHE A 104 -6.246 8.286 5.014 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.111 8.350 6.007 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.008 7.500 5.867 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -5.161 9.260 7.070 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -2.956 7.558 6.790 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -4.109 9.320 7.993 1.00 0.00 C ATOM 1439 CZ PHE A 104 -3.007 8.468 7.853 1.00 0.00 C ATOM 0 HA PHE A 104 -4.667 8.705 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.069 8.920 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.632 7.268 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.968 6.799 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.012 9.916 7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.106 6.901 6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.148 10.023 8.812 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.196 8.513 8.565 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.491 7.028 1.920 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.998 6.116 0.852 1.00 0.00 C ATOM 1451 C LEU A 105 -6.007 4.671 1.381 1.00 0.00 C ATOM 1452 O LEU A 105 -5.495 4.404 2.448 1.00 0.00 O ATOM 1453 CB LEU A 105 -5.018 6.313 -0.324 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.951 5.213 -0.337 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.405 4.087 -1.264 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.630 5.794 -0.848 1.00 0.00 C ATOM 0 H LEU A 105 -4.490 6.965 2.106 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.020 6.328 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.567 6.304 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.539 7.289 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.810 4.823 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.650 3.301 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.349 3.678 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.540 4.478 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.869 5.014 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.769 6.179 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.311 6.604 -0.192 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.600 3.741 0.677 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.634 2.340 1.199 1.00 0.00 C ATOM 1470 C TYR A 106 -5.982 1.346 0.223 1.00 0.00 C ATOM 1471 O TYR A 106 -6.316 1.296 -0.943 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.122 2.023 1.360 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.909 2.598 0.204 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -9.076 1.851 -0.969 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.470 3.876 0.306 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -9.805 2.383 -2.040 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.199 4.408 -0.765 1.00 0.00 C ATOM 1478 CZ TYR A 106 -10.367 3.662 -1.937 1.00 0.00 C ATOM 1479 OH TYR A 106 -11.086 4.185 -2.992 1.00 0.00 O ATOM 0 H TYR A 106 -7.056 3.886 -0.224 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.076 2.252 2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.268 0.944 1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.489 2.436 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.643 0.865 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.341 4.452 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.934 1.807 -2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.632 5.394 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.431 3.455 -3.546 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.065 0.538 0.706 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.405 -0.476 -0.178 1.00 0.00 C ATOM 1491 C ILE A 107 -4.197 -1.788 0.586 1.00 0.00 C ATOM 1492 O ILE A 107 -3.853 -1.787 1.751 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.047 0.118 -0.551 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.218 1.575 -0.976 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.445 -0.682 -1.708 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.925 2.073 -1.625 1.00 0.00 C ATOM 0 H ILE A 107 -4.746 0.538 1.675 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.012 -0.694 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.384 0.072 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.048 1.665 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.464 2.191 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.476 -0.261 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.317 -1.721 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.112 -0.635 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.047 3.113 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.106 1.998 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.699 1.464 -2.500 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.389 -2.910 -0.058 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.182 -4.212 0.646 1.00 0.00 C ATOM 1510 C ALA A 108 -3.416 -5.173 -0.260 1.00 0.00 C ATOM 1511 O ALA A 108 -3.283 -4.937 -1.439 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.589 -4.740 0.929 1.00 0.00 C ATOM 0 H ALA A 108 -4.678 -2.982 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.602 -4.104 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.521 -5.697 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.126 -4.027 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.124 -4.873 -0.011 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.912 -6.258 0.265 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.174 -7.206 -0.621 1.00 0.00 C ATOM 1520 C TYR A 109 -2.596 -8.650 -0.370 1.00 0.00 C ATOM 1521 O TYR A 109 -3.205 -8.977 0.629 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.682 -7.030 -0.326 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.422 -6.850 1.150 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.642 -5.606 1.748 1.00 0.00 C ATOM 1525 CD2 TYR A 109 0.079 -7.914 1.914 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.363 -5.425 3.106 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.351 -7.732 3.272 1.00 0.00 C ATOM 1528 CZ TYR A 109 0.133 -6.487 3.868 1.00 0.00 C ATOM 1529 OH TYR A 109 0.411 -6.303 5.208 1.00 0.00 O ATOM 0 H TYR A 109 -2.976 -6.526 1.247 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.398 -6.990 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.134 -7.900 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.303 -6.165 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.027 -4.785 1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.255 -8.874 1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.531 -4.463 3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.730 -8.554 3.862 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.352 -5.869 5.644 1.00 0.00 H new ATOM 1539 N SER A 110 -2.268 -9.511 -1.290 1.00 0.00 N ATOM 1540 CA SER A 110 -2.633 -10.949 -1.144 1.00 0.00 C ATOM 1541 C SER A 110 -1.721 -11.813 -2.020 1.00 0.00 C ATOM 1542 O SER A 110 -0.885 -11.312 -2.746 1.00 0.00 O ATOM 1543 CB SER A 110 -4.078 -11.042 -1.628 1.00 0.00 C ATOM 1544 OG SER A 110 -4.790 -11.959 -0.808 1.00 0.00 O ATOM 0 H SER A 110 -1.759 -9.280 -2.143 1.00 0.00 H new ATOM 0 HA SER A 110 -2.523 -11.302 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.550 -10.060 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.105 -11.369 -2.667 1.00 0.00 H new ATOM 0 HG SER A 110 -5.667 -12.142 -1.206 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.874 -13.108 -1.961 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.016 -13.999 -2.793 1.00 0.00 C ATOM 1552 C ASP A 111 -1.881 -15.017 -3.539 1.00 0.00 C ATOM 1553 O ASP A 111 -1.448 -16.112 -3.840 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.091 -14.704 -1.801 1.00 0.00 C ATOM 1555 CG ASP A 111 -0.930 -15.457 -0.768 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.071 -15.766 -1.072 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -0.418 -15.713 0.309 1.00 0.00 O ATOM 0 H ASP A 111 -2.556 -13.587 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.455 -13.445 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.564 -15.397 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.549 -13.976 -1.304 1.00 0.00 H new