USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 91 LYS NZ :NH3+ 138:sc= 0.942 (180deg=0) USER MOD Set 1.2: A 93 THR OG1 : rot 131:sc= 0.82 USER MOD Set 2.1: A 27 ASN : amide:sc= -0.209 X(o=-0.26,f=-0.051) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= -0.0509 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= -0.0238 (180deg=-0.0519) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 25 GLN : amide:sc=-0.00925 X(o=-0.0092,f=-0.21) USER MOD Single : A 31 SER OG : rot 73:sc= 0.747 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 148:sc= -2.32 (180deg=-3.98!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -4.58! C(o=-5.6!,f=-4.6!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -143:sc= -2.32! (180deg=-4.79!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -170:sc= 0.00576 USER MOD Single : A 80 MET CE :methyl -134:sc= -2.47 (180deg=-4.14!) USER MOD Single : A 86 SER OG : rot -79:sc= 0.335 USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 14 5.979 18.749 -12.029 1.00 0.00 N ATOM 163 CA SER A 14 5.862 19.404 -10.737 1.00 0.00 C ATOM 164 C SER A 14 4.748 18.751 -9.917 1.00 0.00 C ATOM 165 O SER A 14 5.017 18.057 -8.938 1.00 0.00 O ATOM 166 CB SER A 14 5.593 20.901 -10.900 1.00 0.00 C ATOM 167 OG SER A 14 5.926 21.635 -9.725 1.00 0.00 O ATOM 0 HA SER A 14 6.808 19.288 -10.209 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.170 21.283 -11.742 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.541 21.056 -11.138 1.00 0.00 H new ATOM 0 HG SER A 14 5.741 22.586 -9.870 1.00 0.00 H new ATOM 173 N LYS A 15 3.519 18.995 -10.349 1.00 0.00 N ATOM 174 CA LYS A 15 2.362 18.439 -9.667 1.00 0.00 C ATOM 175 C LYS A 15 2.222 16.961 -10.034 1.00 0.00 C ATOM 176 O LYS A 15 1.757 16.159 -9.225 1.00 0.00 O ATOM 177 CB LYS A 15 1.113 19.269 -9.969 1.00 0.00 C ATOM 178 CG LYS A 15 -0.143 18.588 -9.421 1.00 0.00 C ATOM 179 CD LYS A 15 -0.739 17.626 -10.451 1.00 0.00 C ATOM 180 CE LYS A 15 -2.022 18.198 -11.057 1.00 0.00 C ATOM 181 NZ LYS A 15 -2.635 17.223 -11.986 1.00 0.00 N ATOM 0 H LYS A 15 3.299 19.570 -11.162 1.00 0.00 H new ATOM 0 HA LYS A 15 2.496 18.488 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.215 20.260 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.016 19.408 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.103 18.044 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.882 19.343 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.012 17.437 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.952 16.667 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.727 18.446 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.800 19.124 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.505 17.627 -12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.967 17.006 -12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.865 16.350 -11.470 1.00 0.00 H new ATOM 195 N VAL A 16 2.633 16.644 -11.253 1.00 0.00 N ATOM 196 CA VAL A 16 2.559 15.276 -11.736 1.00 0.00 C ATOM 197 C VAL A 16 3.677 14.452 -11.095 1.00 0.00 C ATOM 198 O VAL A 16 3.427 13.379 -10.549 1.00 0.00 O ATOM 199 CB VAL A 16 2.605 15.258 -13.265 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.350 13.849 -13.805 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.610 16.260 -13.856 1.00 0.00 C ATOM 0 H VAL A 16 3.019 17.312 -11.921 1.00 0.00 H new ATOM 0 HA VAL A 16 1.612 14.820 -11.447 1.00 0.00 H new ATOM 0 HB VAL A 16 3.606 15.559 -13.573 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.388 13.864 -14.894 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.113 13.170 -13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.367 13.508 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.663 16.227 -14.944 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.601 16.004 -13.534 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.857 17.264 -13.511 1.00 0.00 H new ATOM 211 N GLU A 17 4.887 14.985 -11.183 1.00 0.00 N ATOM 212 CA GLU A 17 6.044 14.313 -10.618 1.00 0.00 C ATOM 213 C GLU A 17 5.749 13.860 -9.186 1.00 0.00 C ATOM 214 O GLU A 17 6.084 12.740 -8.804 1.00 0.00 O ATOM 215 CB GLU A 17 7.279 15.215 -10.663 1.00 0.00 C ATOM 216 CG GLU A 17 8.313 14.678 -11.656 1.00 0.00 C ATOM 217 CD GLU A 17 9.453 13.964 -10.927 1.00 0.00 C ATOM 218 OE1 GLU A 17 9.136 13.065 -10.119 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.617 14.334 -11.194 1.00 0.00 O ATOM 0 H GLU A 17 5.091 15.875 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 17 6.257 13.431 -11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.986 16.225 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.723 15.280 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.832 13.989 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.714 15.500 -12.249 1.00 0.00 H new ATOM 226 N LYS A 18 5.124 14.754 -8.434 1.00 0.00 N ATOM 227 CA LYS A 18 4.780 14.460 -7.053 1.00 0.00 C ATOM 228 C LYS A 18 3.762 13.318 -7.017 1.00 0.00 C ATOM 229 O LYS A 18 3.801 12.475 -6.123 1.00 0.00 O ATOM 230 CB LYS A 18 4.307 15.728 -6.338 1.00 0.00 C ATOM 231 CG LYS A 18 5.373 16.239 -5.366 1.00 0.00 C ATOM 232 CD LYS A 18 4.976 15.953 -3.917 1.00 0.00 C ATOM 233 CE LYS A 18 4.803 14.451 -3.681 1.00 0.00 C ATOM 234 NZ LYS A 18 5.751 13.976 -2.648 1.00 0.00 N ATOM 0 H LYS A 18 4.847 15.682 -8.755 1.00 0.00 H new ATOM 0 HA LYS A 18 5.659 14.121 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.079 16.500 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.384 15.521 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.329 15.763 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.512 17.311 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.738 16.345 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.046 16.471 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.780 14.241 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.969 13.909 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.575 12.970 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.726 14.096 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.619 14.527 -1.776 1.00 0.00 H new ATOM 248 N ALA A 19 2.875 13.328 -8.002 1.00 0.00 N ATOM 249 CA ALA A 19 1.849 12.303 -8.094 1.00 0.00 C ATOM 250 C ALA A 19 2.506 10.956 -8.399 1.00 0.00 C ATOM 251 O ALA A 19 2.244 9.965 -7.718 1.00 0.00 O ATOM 252 CB ALA A 19 0.821 12.704 -9.155 1.00 0.00 C ATOM 0 H ALA A 19 2.846 14.029 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 19 1.319 12.204 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.051 11.936 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.362 13.653 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.316 12.809 -10.120 1.00 0.00 H new ATOM 258 N ARG A 20 3.347 10.961 -9.423 1.00 0.00 N ATOM 259 CA ARG A 20 4.043 9.751 -9.826 1.00 0.00 C ATOM 260 C ARG A 20 4.762 9.128 -8.628 1.00 0.00 C ATOM 261 O ARG A 20 4.436 8.017 -8.214 1.00 0.00 O ATOM 262 CB ARG A 20 5.063 10.044 -10.928 1.00 0.00 C ATOM 263 CG ARG A 20 4.693 9.321 -12.225 1.00 0.00 C ATOM 264 CD ARG A 20 5.881 9.280 -13.188 1.00 0.00 C ATOM 265 NE ARG A 20 5.903 7.989 -13.910 1.00 0.00 N ATOM 266 CZ ARG A 20 6.829 7.650 -14.817 1.00 0.00 C ATOM 267 NH1 ARG A 20 7.815 8.506 -15.119 1.00 0.00 N ATOM 268 NH2 ARG A 20 6.770 6.456 -15.422 1.00 0.00 N ATOM 0 H ARG A 20 3.562 11.784 -9.986 1.00 0.00 H new ATOM 0 HA ARG A 20 3.299 9.053 -10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.111 11.118 -11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.055 9.730 -10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.368 8.305 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.852 9.827 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.811 10.103 -13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.812 9.413 -12.636 1.00 0.00 H new ATOM 0 HE ARG A 20 5.166 7.314 -13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.860 9.415 -14.658 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.520 8.248 -15.809 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.020 5.804 -15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.475 6.199 -16.112 1.00 0.00 H new ATOM 282 N GLN A 21 5.726 9.872 -8.105 1.00 0.00 N ATOM 283 CA GLN A 21 6.493 9.406 -6.962 1.00 0.00 C ATOM 284 C GLN A 21 5.561 8.821 -5.899 1.00 0.00 C ATOM 285 O GLN A 21 5.706 7.662 -5.512 1.00 0.00 O ATOM 286 CB GLN A 21 7.349 10.533 -6.380 1.00 0.00 C ATOM 287 CG GLN A 21 8.465 10.929 -7.348 1.00 0.00 C ATOM 288 CD GLN A 21 9.607 11.632 -6.610 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.477 12.058 -5.474 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.730 11.728 -7.316 1.00 0.00 N ATOM 0 H GLN A 21 5.993 10.793 -8.451 1.00 0.00 H new ATOM 0 HA GLN A 21 7.167 8.618 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.722 11.399 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.781 10.214 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.846 10.041 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.066 11.588 -8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.771 11.350 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.550 12.180 -6.911 1.00 0.00 H new ATOM 299 N LEU A 22 4.625 9.648 -5.459 1.00 0.00 N ATOM 300 CA LEU A 22 3.669 9.227 -4.449 1.00 0.00 C ATOM 301 C LEU A 22 3.085 7.868 -4.840 1.00 0.00 C ATOM 302 O LEU A 22 3.135 6.919 -4.060 1.00 0.00 O ATOM 303 CB LEU A 22 2.611 10.310 -4.227 1.00 0.00 C ATOM 304 CG LEU A 22 3.066 11.540 -3.438 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.942 12.573 -3.338 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.603 11.141 -2.062 1.00 0.00 C ATOM 0 H LEU A 22 4.508 10.608 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 22 4.165 9.097 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.248 10.641 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.764 9.862 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 22 3.887 12.009 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.291 13.437 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.648 12.889 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.085 12.130 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.919 12.033 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.819 10.635 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.453 10.470 -2.184 1.00 0.00 H new ATOM 318 N ARG A 23 2.543 7.819 -6.049 1.00 0.00 N ATOM 319 CA ARG A 23 1.950 6.592 -6.553 1.00 0.00 C ATOM 320 C ARG A 23 2.912 5.419 -6.360 1.00 0.00 C ATOM 321 O ARG A 23 2.485 4.302 -6.071 1.00 0.00 O ATOM 322 CB ARG A 23 1.603 6.719 -8.038 1.00 0.00 C ATOM 323 CG ARG A 23 0.336 7.555 -8.235 1.00 0.00 C ATOM 324 CD ARG A 23 -0.121 7.521 -9.695 1.00 0.00 C ATOM 325 NE ARG A 23 -0.841 8.770 -10.029 1.00 0.00 N ATOM 326 CZ ARG A 23 -1.432 9.005 -11.209 1.00 0.00 C ATOM 327 NH1 ARG A 23 -1.390 8.077 -12.175 1.00 0.00 N ATOM 328 NH2 ARG A 23 -2.063 10.167 -11.423 1.00 0.00 N ATOM 0 H ARG A 23 2.502 8.609 -6.693 1.00 0.00 H new ATOM 0 HA ARG A 23 1.034 6.411 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.434 7.180 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.460 5.728 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.458 7.175 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.525 8.585 -7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.741 7.402 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.770 6.661 -9.862 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.891 9.498 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.909 7.193 -12.012 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.839 8.255 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.094 10.873 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.513 10.345 -12.321 1.00 0.00 H new ATOM 342 N GLU A 24 4.194 5.711 -6.528 1.00 0.00 N ATOM 343 CA GLU A 24 5.220 4.694 -6.376 1.00 0.00 C ATOM 344 C GLU A 24 5.371 4.309 -4.903 1.00 0.00 C ATOM 345 O GLU A 24 5.443 3.127 -4.571 1.00 0.00 O ATOM 346 CB GLU A 24 6.553 5.169 -6.958 1.00 0.00 C ATOM 347 CG GLU A 24 6.379 5.664 -8.395 1.00 0.00 C ATOM 348 CD GLU A 24 7.504 5.147 -9.293 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.632 5.666 -9.146 1.00 0.00 O ATOM 350 OE2 GLU A 24 7.212 4.244 -10.107 1.00 0.00 O ATOM 0 H GLU A 24 4.545 6.638 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 24 4.913 3.809 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.959 5.970 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.275 4.353 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.417 5.331 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.369 6.754 -8.409 1.00 0.00 H new ATOM 357 N GLN A 25 5.414 5.329 -4.058 1.00 0.00 N ATOM 358 CA GLN A 25 5.555 5.112 -2.629 1.00 0.00 C ATOM 359 C GLN A 25 4.365 4.314 -2.093 1.00 0.00 C ATOM 360 O GLN A 25 4.545 3.307 -1.410 1.00 0.00 O ATOM 361 CB GLN A 25 5.704 6.441 -1.885 1.00 0.00 C ATOM 362 CG GLN A 25 7.165 6.698 -1.508 1.00 0.00 C ATOM 363 CD GLN A 25 7.277 7.228 -0.077 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.040 6.526 0.893 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.650 8.502 0.001 1.00 0.00 N ATOM 0 H GLN A 25 5.354 6.308 -4.336 1.00 0.00 H new ATOM 0 HA GLN A 25 6.462 4.533 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.338 7.255 -2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.089 6.429 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.737 5.775 -1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.602 7.417 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.833 9.033 -0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.753 8.948 0.912 1.00 0.00 H new ATOM 374 N VAL A 26 3.175 4.794 -2.423 1.00 0.00 N ATOM 375 CA VAL A 26 1.955 4.138 -1.984 1.00 0.00 C ATOM 376 C VAL A 26 1.982 2.673 -2.424 1.00 0.00 C ATOM 377 O VAL A 26 1.783 1.772 -1.611 1.00 0.00 O ATOM 378 CB VAL A 26 0.735 4.897 -2.507 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.553 4.112 -2.247 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.657 6.298 -1.896 1.00 0.00 C ATOM 0 H VAL A 26 3.030 5.630 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 26 1.886 4.149 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 26 0.847 5.008 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.405 4.674 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.499 3.147 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.673 3.955 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.220 6.816 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.580 6.218 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.555 6.859 -2.156 1.00 0.00 H new ATOM 390 N ASN A 27 2.231 2.480 -3.711 1.00 0.00 N ATOM 391 CA ASN A 27 2.286 1.140 -4.270 1.00 0.00 C ATOM 392 C ASN A 27 3.209 0.272 -3.412 1.00 0.00 C ATOM 393 O ASN A 27 2.748 -0.636 -2.721 1.00 0.00 O ATOM 394 CB ASN A 27 2.846 1.159 -5.694 1.00 0.00 C ATOM 395 CG ASN A 27 3.063 -0.262 -6.217 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.140 -0.951 -6.620 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.332 -0.661 -6.189 1.00 0.00 N ATOM 0 H ASN A 27 2.397 3.229 -4.383 1.00 0.00 H new ATOM 0 HA ASN A 27 1.272 0.740 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.159 1.691 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.790 1.704 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.581 -1.594 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.056 -0.034 -5.839 1.00 0.00 H new ATOM 404 N ASP A 28 4.495 0.581 -3.483 1.00 0.00 N ATOM 405 CA ASP A 28 5.486 -0.159 -2.721 1.00 0.00 C ATOM 406 C ASP A 28 5.016 -0.288 -1.270 1.00 0.00 C ATOM 407 O ASP A 28 5.000 -1.385 -0.715 1.00 0.00 O ATOM 408 CB ASP A 28 6.833 0.567 -2.718 1.00 0.00 C ATOM 409 CG ASP A 28 8.060 -0.347 -2.755 1.00 0.00 C ATOM 410 OD1 ASP A 28 7.853 -1.578 -2.688 1.00 0.00 O ATOM 411 OD2 ASP A 28 9.177 0.206 -2.851 1.00 0.00 O ATOM 0 H ASP A 28 4.874 1.334 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 28 5.605 -1.139 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.870 1.235 -3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.890 1.191 -1.826 1.00 0.00 H new ATOM 416 N LEU A 29 4.644 0.848 -0.699 1.00 0.00 N ATOM 417 CA LEU A 29 4.174 0.875 0.676 1.00 0.00 C ATOM 418 C LEU A 29 3.267 -0.332 0.925 1.00 0.00 C ATOM 419 O LEU A 29 3.634 -1.247 1.661 1.00 0.00 O ATOM 420 CB LEU A 29 3.511 2.218 0.989 1.00 0.00 C ATOM 421 CG LEU A 29 2.483 2.210 2.122 1.00 0.00 C ATOM 422 CD1 LEU A 29 3.155 1.943 3.470 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.670 3.506 2.134 1.00 0.00 C ATOM 0 H LEU A 29 4.658 1.756 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 29 5.013 0.791 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.292 2.937 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.022 2.579 0.084 1.00 0.00 H new ATOM 0 HG LEU A 29 1.784 1.393 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.402 1.943 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.652 0.974 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.890 2.722 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.947 3.474 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.340 4.354 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.144 3.614 1.186 1.00 0.00 H new ATOM 435 N PHE A 30 2.101 -0.294 0.297 1.00 0.00 N ATOM 436 CA PHE A 30 1.139 -1.374 0.441 1.00 0.00 C ATOM 437 C PHE A 30 1.805 -2.734 0.228 1.00 0.00 C ATOM 438 O PHE A 30 1.598 -3.660 1.010 1.00 0.00 O ATOM 439 CB PHE A 30 0.071 -1.167 -0.635 1.00 0.00 C ATOM 440 CG PHE A 30 -0.911 -0.035 -0.328 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.415 0.107 0.927 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.279 0.831 -1.311 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.327 1.158 1.211 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.190 1.882 -1.026 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.694 2.024 0.229 1.00 0.00 C ATOM 0 H PHE A 30 1.801 0.467 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 30 0.713 -1.362 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.563 -0.960 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.488 -2.094 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.122 -0.579 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.878 0.719 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.729 1.269 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.483 2.569 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.386 2.825 0.446 1.00 0.00 H new ATOM 455 N SER A 31 2.591 -2.812 -0.836 1.00 0.00 N ATOM 456 CA SER A 31 3.289 -4.044 -1.162 1.00 0.00 C ATOM 457 C SER A 31 4.122 -4.506 0.035 1.00 0.00 C ATOM 458 O SER A 31 3.972 -5.634 0.502 1.00 0.00 O ATOM 459 CB SER A 31 4.182 -3.862 -2.391 1.00 0.00 C ATOM 460 OG SER A 31 3.597 -2.987 -3.352 1.00 0.00 O ATOM 0 H SER A 31 2.760 -2.042 -1.483 1.00 0.00 H new ATOM 0 HA SER A 31 2.546 -4.807 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.149 -3.465 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.368 -4.833 -2.851 1.00 0.00 H new ATOM 0 HG SER A 31 3.641 -2.065 -3.024 1.00 0.00 H new ATOM 466 N ARG A 32 4.983 -3.611 0.498 1.00 0.00 N ATOM 467 CA ARG A 32 5.840 -3.914 1.632 1.00 0.00 C ATOM 468 C ARG A 32 5.000 -4.381 2.822 1.00 0.00 C ATOM 469 O ARG A 32 5.185 -5.490 3.320 1.00 0.00 O ATOM 470 CB ARG A 32 6.660 -2.690 2.044 1.00 0.00 C ATOM 471 CG ARG A 32 8.136 -3.053 2.221 1.00 0.00 C ATOM 472 CD ARG A 32 8.837 -2.061 3.151 1.00 0.00 C ATOM 473 NE ARG A 32 10.015 -2.700 3.777 1.00 0.00 N ATOM 474 CZ ARG A 32 11.188 -2.885 3.156 1.00 0.00 C ATOM 475 NH1 ARG A 32 11.346 -2.481 1.888 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.203 -3.475 3.803 1.00 0.00 N ATOM 0 H ARG A 32 5.105 -2.676 0.109 1.00 0.00 H new ATOM 0 HA ARG A 32 6.522 -4.709 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.562 -1.911 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.268 -2.282 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.220 -4.061 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.632 -3.059 1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.147 -1.180 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.145 -1.721 3.922 1.00 0.00 H new ATOM 0 HE ARG A 32 9.929 -3.020 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.573 -2.033 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.239 -2.622 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.082 -3.783 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.096 -3.616 3.330 1.00 0.00 H new ATOM 490 N LYS A 33 4.094 -3.510 3.244 1.00 0.00 N ATOM 491 CA LYS A 33 3.226 -3.819 4.367 1.00 0.00 C ATOM 492 C LYS A 33 2.537 -5.163 4.119 1.00 0.00 C ATOM 493 O LYS A 33 2.657 -6.084 4.924 1.00 0.00 O ATOM 494 CB LYS A 33 2.252 -2.667 4.625 1.00 0.00 C ATOM 495 CG LYS A 33 2.978 -1.460 5.222 1.00 0.00 C ATOM 496 CD LYS A 33 3.317 -1.697 6.694 1.00 0.00 C ATOM 497 CE LYS A 33 4.538 -0.877 7.115 1.00 0.00 C ATOM 498 NZ LYS A 33 5.299 -1.582 8.170 1.00 0.00 N ATOM 0 H LYS A 33 3.943 -2.591 2.828 1.00 0.00 H new ATOM 0 HA LYS A 33 3.810 -3.923 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.767 -2.380 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.466 -2.996 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.893 -1.267 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.353 -0.572 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.463 -1.429 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.511 -2.757 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.180 -0.701 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.219 0.099 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.124 -1.011 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.689 -1.728 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.620 -2.503 7.810 1.00 0.00 H new ATOM 512 N PHE A 34 1.830 -5.231 3.000 1.00 0.00 N ATOM 513 CA PHE A 34 1.121 -6.446 2.635 1.00 0.00 C ATOM 514 C PHE A 34 1.994 -7.681 2.871 1.00 0.00 C ATOM 515 O PHE A 34 1.509 -8.705 3.348 1.00 0.00 O ATOM 516 CB PHE A 34 0.796 -6.343 1.144 1.00 0.00 C ATOM 517 CG PHE A 34 0.223 -7.628 0.542 1.00 0.00 C ATOM 518 CD1 PHE A 34 -1.001 -8.075 0.932 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.938 -8.323 -0.382 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.532 -9.267 0.374 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.406 -9.516 -0.941 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.818 -9.963 -0.551 1.00 0.00 C ATOM 0 H PHE A 34 1.733 -4.464 2.334 1.00 0.00 H new ATOM 0 HA PHE A 34 0.221 -6.549 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.082 -5.533 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.703 -6.073 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.569 -7.523 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.910 -7.968 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.504 -9.622 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.974 -10.068 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.223 -10.870 -0.976 1.00 0.00 H new ATOM 532 N GLY A 35 3.265 -7.542 2.525 1.00 0.00 N ATOM 533 CA GLY A 35 4.209 -8.634 2.693 1.00 0.00 C ATOM 534 C GLY A 35 4.100 -9.243 4.093 1.00 0.00 C ATOM 535 O GLY A 35 4.398 -10.421 4.286 1.00 0.00 O ATOM 0 H GLY A 35 3.663 -6.690 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.020 -9.402 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.224 -8.271 2.528 1.00 0.00 H new ATOM 539 N GLU A 36 3.672 -8.413 5.033 1.00 0.00 N ATOM 540 CA GLU A 36 3.519 -8.855 6.408 1.00 0.00 C ATOM 541 C GLU A 36 2.341 -9.823 6.527 1.00 0.00 C ATOM 542 O GLU A 36 2.449 -10.863 7.176 1.00 0.00 O ATOM 543 CB GLU A 36 3.347 -7.663 7.352 1.00 0.00 C ATOM 544 CG GLU A 36 4.438 -6.616 7.117 1.00 0.00 C ATOM 545 CD GLU A 36 5.753 -7.037 7.777 1.00 0.00 C ATOM 546 OE1 GLU A 36 6.385 -7.970 7.236 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.095 -6.416 8.806 1.00 0.00 O ATOM 0 H GLU A 36 3.426 -7.437 4.869 1.00 0.00 H new ATOM 0 HA GLU A 36 4.427 -9.381 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.366 -7.212 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.383 -8.005 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.592 -6.479 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.117 -5.655 7.518 1.00 0.00 H new ATOM 554 N ALA A 37 1.241 -9.448 5.890 1.00 0.00 N ATOM 555 CA ALA A 37 0.043 -10.270 5.916 1.00 0.00 C ATOM 556 C ALA A 37 0.378 -11.668 5.393 1.00 0.00 C ATOM 557 O ALA A 37 -0.376 -12.614 5.613 1.00 0.00 O ATOM 558 CB ALA A 37 -1.060 -9.591 5.102 1.00 0.00 C ATOM 0 H ALA A 37 1.154 -8.585 5.353 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.326 -10.379 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.959 -10.208 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.281 -8.614 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.728 -9.467 4.071 1.00 0.00 H new ATOM 564 N ILE A 38 1.510 -11.754 4.709 1.00 0.00 N ATOM 565 CA ILE A 38 1.953 -13.020 4.152 1.00 0.00 C ATOM 566 C ILE A 38 3.275 -13.425 4.806 1.00 0.00 C ATOM 567 O ILE A 38 3.971 -14.311 4.312 1.00 0.00 O ATOM 568 CB ILE A 38 2.022 -12.939 2.625 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.537 -11.572 2.171 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.670 -13.280 1.996 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.458 -11.434 0.650 1.00 0.00 C ATOM 0 H ILE A 38 2.133 -10.967 4.528 1.00 0.00 H new ATOM 0 HA ILE A 38 1.232 -13.807 4.374 1.00 0.00 H new ATOM 0 HB ILE A 38 2.737 -13.684 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.950 -10.784 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.568 -11.441 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.747 -13.215 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.382 -14.292 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.084 -12.576 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.830 -10.453 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.065 -12.209 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.422 -11.541 0.328 1.00 0.00 H new ATOM 583 N GLY A 39 3.582 -12.757 5.909 1.00 0.00 N ATOM 584 CA GLY A 39 4.808 -13.036 6.636 1.00 0.00 C ATOM 585 C GLY A 39 6.014 -13.049 5.694 1.00 0.00 C ATOM 586 O GLY A 39 7.052 -13.625 6.017 1.00 0.00 O ATOM 0 H GLY A 39 3.002 -12.023 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.955 -12.283 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.725 -13.999 7.140 1.00 0.00 H new ATOM 590 N MET A 40 5.836 -12.409 4.548 1.00 0.00 N ATOM 591 CA MET A 40 6.896 -12.339 3.557 1.00 0.00 C ATOM 592 C MET A 40 7.988 -11.359 3.990 1.00 0.00 C ATOM 593 O MET A 40 7.752 -10.491 4.829 1.00 0.00 O ATOM 594 CB MET A 40 6.313 -11.893 2.215 1.00 0.00 C ATOM 595 CG MET A 40 5.318 -12.925 1.680 1.00 0.00 C ATOM 596 SD MET A 40 6.196 -14.316 0.986 1.00 0.00 S ATOM 597 CE MET A 40 5.506 -14.328 -0.661 1.00 0.00 C ATOM 0 H MET A 40 4.973 -11.934 4.283 1.00 0.00 H new ATOM 0 HA MET A 40 7.341 -13.329 3.459 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.816 -10.930 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.118 -11.751 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.663 -13.262 2.484 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.682 -12.470 0.921 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.256 -14.685 -1.367 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.639 -14.988 -0.688 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.201 -13.318 -0.935 1.00 0.00 H new ATOM 607 N GLY A 41 9.161 -11.530 3.398 1.00 0.00 N ATOM 608 CA GLY A 41 10.291 -10.672 3.712 1.00 0.00 C ATOM 609 C GLY A 41 10.548 -9.670 2.585 1.00 0.00 C ATOM 610 O GLY A 41 11.665 -9.180 2.428 1.00 0.00 O ATOM 0 H GLY A 41 9.353 -12.251 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.099 -10.137 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.181 -11.281 3.872 1.00 0.00 H new ATOM 614 N PHE A 42 9.495 -9.395 1.829 1.00 0.00 N ATOM 615 CA PHE A 42 9.593 -8.460 0.721 1.00 0.00 C ATOM 616 C PHE A 42 8.212 -7.932 0.326 1.00 0.00 C ATOM 617 O PHE A 42 7.192 -8.508 0.701 1.00 0.00 O ATOM 618 CB PHE A 42 10.188 -9.228 -0.461 1.00 0.00 C ATOM 619 CG PHE A 42 9.645 -10.650 -0.616 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.314 -10.852 -0.809 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.493 -11.712 -0.562 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.810 -12.172 -0.953 1.00 0.00 C ATOM 623 CE2 PHE A 42 9.989 -13.031 -0.706 1.00 0.00 C ATOM 624 CZ PHE A 42 8.658 -13.234 -0.899 1.00 0.00 C ATOM 0 H PHE A 42 8.570 -9.803 1.962 1.00 0.00 H new ATOM 0 HA PHE A 42 10.211 -7.609 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.991 -8.673 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.271 -9.274 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.640 -10.009 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.550 -11.552 -0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.753 -12.333 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.663 -13.874 -0.662 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.275 -14.238 -1.009 1.00 0.00 H new ATOM 634 N PRO A 43 8.225 -6.812 -0.445 1.00 0.00 N ATOM 635 CA PRO A 43 6.986 -6.199 -0.895 1.00 0.00 C ATOM 636 C PRO A 43 6.351 -7.012 -2.024 1.00 0.00 C ATOM 637 O PRO A 43 6.927 -7.139 -3.103 1.00 0.00 O ATOM 638 CB PRO A 43 7.375 -4.793 -1.321 1.00 0.00 C ATOM 639 CG PRO A 43 8.880 -4.823 -1.533 1.00 0.00 C ATOM 640 CD PRO A 43 9.413 -6.102 -0.908 1.00 0.00 C ATOM 0 HA PRO A 43 6.224 -6.168 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.857 -4.505 -2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.103 -4.064 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.116 -4.790 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.347 -3.951 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.971 -6.694 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.092 -5.886 -0.083 1.00 0.00 H new ATOM 648 N VAL A 44 5.170 -7.541 -1.737 1.00 0.00 N ATOM 649 CA VAL A 44 4.450 -8.338 -2.715 1.00 0.00 C ATOM 650 C VAL A 44 3.323 -7.499 -3.321 1.00 0.00 C ATOM 651 O VAL A 44 2.922 -6.487 -2.748 1.00 0.00 O ATOM 652 CB VAL A 44 3.951 -9.633 -2.070 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.379 -10.585 -3.123 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.063 -10.309 -1.266 1.00 0.00 C ATOM 0 H VAL A 44 4.694 -7.433 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 44 5.112 -8.631 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 44 3.148 -9.376 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.032 -11.497 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.544 -10.104 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.154 -10.832 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.682 -11.227 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.897 -10.547 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.404 -9.636 -0.479 1.00 0.00 H new ATOM 664 N LYS A 45 2.844 -7.951 -4.471 1.00 0.00 N ATOM 665 CA LYS A 45 1.771 -7.254 -5.160 1.00 0.00 C ATOM 666 C LYS A 45 0.599 -7.052 -4.197 1.00 0.00 C ATOM 667 O LYS A 45 0.426 -7.822 -3.254 1.00 0.00 O ATOM 668 CB LYS A 45 1.391 -7.993 -6.445 1.00 0.00 C ATOM 669 CG LYS A 45 0.597 -9.263 -6.133 1.00 0.00 C ATOM 670 CD LYS A 45 -0.187 -9.734 -7.359 1.00 0.00 C ATOM 671 CE LYS A 45 -0.259 -11.262 -7.410 1.00 0.00 C ATOM 672 NZ LYS A 45 -1.436 -11.699 -8.193 1.00 0.00 N ATOM 0 H LYS A 45 3.179 -8.791 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 45 2.100 -6.264 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.799 -7.338 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.293 -8.251 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.277 -10.050 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.090 -9.073 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.195 -9.320 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.288 -9.358 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.651 -11.660 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.318 -11.663 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.470 -12.738 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.303 -11.335 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.363 -11.332 -9.163 1.00 0.00 H new ATOM 686 N VAL A 46 -0.175 -6.012 -4.468 1.00 0.00 N ATOM 687 CA VAL A 46 -1.326 -5.699 -3.638 1.00 0.00 C ATOM 688 C VAL A 46 -2.578 -5.628 -4.515 1.00 0.00 C ATOM 689 O VAL A 46 -2.756 -4.676 -5.273 1.00 0.00 O ATOM 690 CB VAL A 46 -1.071 -4.410 -2.855 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.322 -3.977 -2.088 1.00 0.00 C ATOM 692 CG2 VAL A 46 0.123 -4.569 -1.911 1.00 0.00 C ATOM 0 H VAL A 46 -0.028 -5.375 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.490 -6.485 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.830 -3.625 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.113 -3.058 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.137 -3.803 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.608 -4.761 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.283 -3.638 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.077 -5.374 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.015 -4.808 -2.490 1.00 0.00 H new ATOM 702 N PRO A 47 -3.436 -6.674 -4.378 1.00 0.00 N ATOM 703 CA PRO A 47 -4.666 -6.739 -5.148 1.00 0.00 C ATOM 704 C PRO A 47 -5.710 -5.766 -4.597 1.00 0.00 C ATOM 705 O PRO A 47 -6.627 -6.172 -3.884 1.00 0.00 O ATOM 706 CB PRO A 47 -5.105 -8.192 -5.066 1.00 0.00 C ATOM 707 CG PRO A 47 -4.366 -8.784 -3.877 1.00 0.00 C ATOM 708 CD PRO A 47 -3.258 -7.819 -3.489 1.00 0.00 C ATOM 0 HA PRO A 47 -4.529 -6.437 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.184 -8.267 -4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.860 -8.726 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.049 -8.937 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.951 -9.759 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.338 -7.524 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.275 -8.272 -3.618 1.00 0.00 H new ATOM 716 N TYR A 48 -5.536 -4.501 -4.948 1.00 0.00 N ATOM 717 CA TYR A 48 -6.452 -3.467 -4.498 1.00 0.00 C ATOM 718 C TYR A 48 -7.893 -3.801 -4.890 1.00 0.00 C ATOM 719 O TYR A 48 -8.788 -3.790 -4.047 1.00 0.00 O ATOM 720 CB TYR A 48 -6.026 -2.184 -5.214 1.00 0.00 C ATOM 721 CG TYR A 48 -4.540 -1.852 -5.064 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.019 -1.565 -3.818 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.720 -1.839 -6.174 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.621 -1.253 -3.677 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.321 -1.527 -6.032 1.00 0.00 C ATOM 726 CZ TYR A 48 -1.841 -1.249 -4.791 1.00 0.00 C ATOM 727 OH TYR A 48 -0.520 -0.954 -4.657 1.00 0.00 O ATOM 0 H TYR A 48 -4.774 -4.168 -5.539 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.418 -3.371 -3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.262 -2.276 -6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.615 -1.352 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.660 -1.575 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.127 -2.063 -7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.201 -1.027 -2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.668 -1.514 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.086 -0.990 -5.535 1.00 0.00 H new ATOM 737 N ARG A 49 -8.071 -4.090 -6.171 1.00 0.00 N ATOM 738 CA ARG A 49 -9.388 -4.427 -6.685 1.00 0.00 C ATOM 739 C ARG A 49 -10.005 -5.560 -5.863 1.00 0.00 C ATOM 740 O ARG A 49 -10.943 -5.337 -5.098 1.00 0.00 O ATOM 741 CB ARG A 49 -9.313 -4.854 -8.153 1.00 0.00 C ATOM 742 CG ARG A 49 -7.994 -5.572 -8.448 1.00 0.00 C ATOM 743 CD ARG A 49 -7.073 -4.697 -9.300 1.00 0.00 C ATOM 744 NE ARG A 49 -6.212 -5.547 -10.152 1.00 0.00 N ATOM 745 CZ ARG A 49 -5.232 -6.332 -9.684 1.00 0.00 C ATOM 746 NH1 ARG A 49 -4.982 -6.378 -8.369 1.00 0.00 N ATOM 747 NH2 ARG A 49 -4.501 -7.070 -10.531 1.00 0.00 N ATOM 0 H ARG A 49 -7.326 -4.098 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.012 -3.536 -6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.150 -5.512 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.406 -3.978 -8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.497 -5.826 -7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.194 -6.509 -8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.667 -4.028 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.456 -4.070 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.375 -5.535 -11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.537 -5.816 -7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.236 -6.975 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.690 -7.034 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.755 -7.667 -10.174 1.00 0.00 H new ATOM 761 N LYS A 50 -9.454 -6.751 -6.048 1.00 0.00 N ATOM 762 CA LYS A 50 -9.939 -7.919 -5.333 1.00 0.00 C ATOM 763 C LYS A 50 -10.307 -7.519 -3.902 1.00 0.00 C ATOM 764 O LYS A 50 -11.424 -7.770 -3.452 1.00 0.00 O ATOM 765 CB LYS A 50 -8.919 -9.057 -5.410 1.00 0.00 C ATOM 766 CG LYS A 50 -9.391 -10.152 -6.369 1.00 0.00 C ATOM 767 CD LYS A 50 -8.472 -11.373 -6.301 1.00 0.00 C ATOM 768 CE LYS A 50 -9.285 -12.667 -6.225 1.00 0.00 C ATOM 769 NZ LYS A 50 -8.904 -13.584 -7.323 1.00 0.00 N ATOM 0 H LYS A 50 -8.676 -6.932 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.846 -8.303 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.957 -8.666 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.765 -9.480 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.410 -10.445 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.412 -9.764 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.826 -11.396 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.822 -11.296 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.118 -13.152 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.349 -12.439 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.465 -14.457 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.086 -13.124 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.893 -13.816 -7.247 1.00 0.00 H new ATOM 783 N ILE A 51 -9.347 -6.904 -3.228 1.00 0.00 N ATOM 784 CA ILE A 51 -9.556 -6.467 -1.858 1.00 0.00 C ATOM 785 C ILE A 51 -10.804 -5.585 -1.794 1.00 0.00 C ATOM 786 O ILE A 51 -11.654 -5.767 -0.923 1.00 0.00 O ATOM 787 CB ILE A 51 -8.296 -5.792 -1.313 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.338 -6.822 -0.712 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.654 -4.690 -0.313 1.00 0.00 C ATOM 790 CD1 ILE A 51 -5.931 -6.665 -1.291 1.00 0.00 C ATOM 0 H ILE A 51 -8.422 -6.698 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.737 -7.323 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.776 -5.316 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.305 -6.704 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.707 -7.828 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.741 -4.226 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.269 -3.937 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.208 -5.121 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.270 -7.409 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.964 -6.807 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.555 -5.666 -1.068 1.00 0.00 H new ATOM 802 N THR A 52 -10.875 -4.646 -2.727 1.00 0.00 N ATOM 803 CA THR A 52 -12.005 -3.735 -2.787 1.00 0.00 C ATOM 804 C THR A 52 -13.281 -4.491 -3.163 1.00 0.00 C ATOM 805 O THR A 52 -14.189 -4.629 -2.346 1.00 0.00 O ATOM 806 CB THR A 52 -11.655 -2.611 -3.764 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.562 -1.452 -2.941 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.800 -2.293 -4.727 1.00 0.00 C ATOM 0 H THR A 52 -10.168 -4.497 -3.447 1.00 0.00 H new ATOM 0 HA THR A 52 -12.205 -3.288 -1.813 1.00 0.00 H new ATOM 0 HB THR A 52 -10.769 -2.890 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.336 -0.675 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.498 -1.489 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.042 -3.181 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.677 -1.982 -4.159 1.00 0.00 H new ATOM 816 N ILE A 53 -13.308 -4.962 -4.402 1.00 0.00 N ATOM 817 CA ILE A 53 -14.458 -5.700 -4.896 1.00 0.00 C ATOM 818 C ILE A 53 -14.884 -6.733 -3.851 1.00 0.00 C ATOM 819 O ILE A 53 -16.071 -6.880 -3.566 1.00 0.00 O ATOM 820 CB ILE A 53 -14.156 -6.304 -6.269 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.011 -7.316 -6.184 1.00 0.00 C ATOM 822 CG2 ILE A 53 -13.877 -5.209 -7.301 1.00 0.00 C ATOM 823 CD1 ILE A 53 -12.286 -7.438 -7.525 1.00 0.00 C ATOM 0 H ILE A 53 -12.552 -4.847 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.305 -5.030 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.040 -6.846 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.306 -7.008 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.403 -8.289 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.665 -5.666 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.749 -4.561 -7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.017 -4.619 -6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.477 -8.163 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.989 -7.769 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.875 -6.468 -7.806 1.00 0.00 H new ATOM 835 N ASN A 54 -13.891 -7.421 -3.307 1.00 0.00 N ATOM 836 CA ASN A 54 -14.148 -8.436 -2.299 1.00 0.00 C ATOM 837 C ASN A 54 -12.919 -8.576 -1.398 1.00 0.00 C ATOM 838 O ASN A 54 -11.989 -9.313 -1.722 1.00 0.00 O ATOM 839 CB ASN A 54 -14.420 -9.796 -2.943 1.00 0.00 C ATOM 840 CG ASN A 54 -13.480 -10.041 -4.125 1.00 0.00 C ATOM 841 OD1 ASN A 54 -14.103 -10.376 -5.252 1.00 0.00 O flip ATOM 842 ND2 ASN A 54 -12.269 -9.933 -4.022 1.00 0.00 N flip ATOM 0 H ASN A 54 -12.907 -7.296 -3.545 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.022 -8.128 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.292 -10.585 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -15.455 -9.842 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.854 -9.672 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.671 -10.103 -4.831 1.00 0.00 H new ATOM 849 N PRO A 55 -12.956 -7.839 -0.256 1.00 0.00 N ATOM 850 CA PRO A 55 -11.856 -7.875 0.694 1.00 0.00 C ATOM 851 C PRO A 55 -11.865 -9.179 1.494 1.00 0.00 C ATOM 852 O PRO A 55 -10.816 -9.654 1.924 1.00 0.00 O ATOM 853 CB PRO A 55 -12.048 -6.643 1.563 1.00 0.00 C ATOM 854 CG PRO A 55 -13.495 -6.218 1.372 1.00 0.00 C ATOM 855 CD PRO A 55 -14.041 -6.955 0.160 1.00 0.00 C ATOM 0 HA PRO A 55 -10.880 -7.856 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.842 -6.868 2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.365 -5.847 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.083 -6.454 2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.560 -5.140 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.938 -7.521 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.314 -6.261 -0.635 1.00 0.00 H new ATOM 863 N GLY A 56 -13.062 -9.720 1.670 1.00 0.00 N ATOM 864 CA GLY A 56 -13.222 -10.959 2.411 1.00 0.00 C ATOM 865 C GLY A 56 -11.879 -11.673 2.582 1.00 0.00 C ATOM 866 O GLY A 56 -11.406 -11.852 3.703 1.00 0.00 O ATOM 0 H GLY A 56 -13.930 -9.322 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.653 -10.749 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.921 -11.612 1.888 1.00 0.00 H new ATOM 870 N CYS A 57 -11.303 -12.059 1.453 1.00 0.00 N ATOM 871 CA CYS A 57 -10.024 -12.749 1.463 1.00 0.00 C ATOM 872 C CYS A 57 -9.025 -11.897 2.248 1.00 0.00 C ATOM 873 O CYS A 57 -8.851 -12.089 3.451 1.00 0.00 O ATOM 874 CB CYS A 57 -9.530 -13.047 0.046 1.00 0.00 C ATOM 875 SG CYS A 57 -10.557 -14.359 -0.712 1.00 0.00 S ATOM 0 H CYS A 57 -11.698 -11.907 0.525 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.135 -13.718 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.574 -12.143 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.487 -13.361 0.074 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.130 -14.603 -1.916 1.00 0.00 H new ATOM 881 N VAL A 58 -8.396 -10.974 1.537 1.00 0.00 N ATOM 882 CA VAL A 58 -7.419 -10.092 2.152 1.00 0.00 C ATOM 883 C VAL A 58 -8.104 -8.787 2.563 1.00 0.00 C ATOM 884 O VAL A 58 -8.892 -8.229 1.801 1.00 0.00 O ATOM 885 CB VAL A 58 -6.239 -9.874 1.202 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.376 -8.697 1.660 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.401 -11.148 1.068 1.00 0.00 C ATOM 0 H VAL A 58 -8.544 -10.817 0.540 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.012 -10.545 3.056 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.641 -9.632 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.545 -8.564 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.980 -7.790 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.988 -8.897 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.569 -10.966 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.014 -11.434 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.022 -11.953 0.675 1.00 0.00 H new ATOM 897 N VAL A 59 -7.778 -8.338 3.766 1.00 0.00 N ATOM 898 CA VAL A 59 -8.352 -7.110 4.287 1.00 0.00 C ATOM 899 C VAL A 59 -7.260 -6.043 4.386 1.00 0.00 C ATOM 900 O VAL A 59 -6.073 -6.354 4.289 1.00 0.00 O ATOM 901 CB VAL A 59 -9.045 -7.381 5.624 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.610 -6.091 6.221 1.00 0.00 C ATOM 903 CG2 VAL A 59 -10.139 -8.439 5.469 1.00 0.00 C ATOM 0 H VAL A 59 -7.123 -8.803 4.395 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.118 -6.730 3.610 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.298 -7.770 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.097 -6.312 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.800 -5.381 6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.337 -5.659 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.616 -8.613 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.884 -8.090 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.698 -9.369 5.109 1.00 0.00 H new ATOM 913 N VAL A 60 -7.698 -4.808 4.578 1.00 0.00 N ATOM 914 CA VAL A 60 -6.773 -3.694 4.691 1.00 0.00 C ATOM 915 C VAL A 60 -7.244 -2.756 5.805 1.00 0.00 C ATOM 916 O VAL A 60 -8.377 -2.279 5.781 1.00 0.00 O ATOM 917 CB VAL A 60 -6.630 -2.992 3.339 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.859 -1.678 3.482 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.964 -3.910 2.313 1.00 0.00 C ATOM 0 H VAL A 60 -8.683 -4.554 4.658 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.779 -4.050 4.964 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.630 -2.755 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.772 -1.199 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.392 -1.016 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.864 -1.881 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.874 -3.387 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.972 -4.192 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.570 -4.806 2.179 1.00 0.00 H new ATOM 929 N ASP A 61 -6.349 -2.519 6.753 1.00 0.00 N ATOM 930 CA ASP A 61 -6.659 -1.647 7.873 1.00 0.00 C ATOM 931 C ASP A 61 -5.571 -0.579 7.998 1.00 0.00 C ATOM 932 O ASP A 61 -4.590 -0.596 7.256 1.00 0.00 O ATOM 933 CB ASP A 61 -6.705 -2.431 9.186 1.00 0.00 C ATOM 934 CG ASP A 61 -8.077 -3.000 9.552 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.970 -2.933 8.680 1.00 0.00 O ATOM 936 OD2 ASP A 61 -8.202 -3.490 10.695 1.00 0.00 O ATOM 0 H ASP A 61 -5.409 -2.916 6.768 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.634 -1.195 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.992 -3.253 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.372 -1.778 9.993 1.00 0.00 H new ATOM 941 N GLY A 62 -5.781 0.326 8.943 1.00 0.00 N ATOM 942 CA GLY A 62 -4.830 1.400 9.175 1.00 0.00 C ATOM 943 C GLY A 62 -5.175 2.629 8.331 1.00 0.00 C ATOM 944 O GLY A 62 -4.894 3.759 8.729 1.00 0.00 O ATOM 0 H GLY A 62 -6.596 0.338 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.829 1.668 10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.824 1.058 8.932 1.00 0.00 H new ATOM 948 N MET A 63 -5.778 2.367 7.181 1.00 0.00 N ATOM 949 CA MET A 63 -6.164 3.438 6.278 1.00 0.00 C ATOM 950 C MET A 63 -6.783 4.607 7.046 1.00 0.00 C ATOM 951 O MET A 63 -7.344 4.419 8.124 1.00 0.00 O ATOM 952 CB MET A 63 -7.172 2.907 5.257 1.00 0.00 C ATOM 953 CG MET A 63 -6.546 1.818 4.383 1.00 0.00 C ATOM 954 SD MET A 63 -5.102 2.459 3.552 1.00 0.00 S ATOM 955 CE MET A 63 -5.880 3.293 2.179 1.00 0.00 C ATOM 0 H MET A 63 -6.009 1.429 6.854 1.00 0.00 H new ATOM 0 HA MET A 63 -5.270 3.796 5.767 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.043 2.506 5.775 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.524 3.725 4.629 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.272 0.960 4.997 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.272 1.466 3.650 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.265 3.177 1.287 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.864 2.860 2.000 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.987 4.353 2.410 1.00 0.00 H new ATOM 965 N PRO A 64 -6.657 5.821 6.445 1.00 0.00 N ATOM 966 CA PRO A 64 -7.197 7.021 7.061 1.00 0.00 C ATOM 967 C PRO A 64 -8.720 7.071 6.921 1.00 0.00 C ATOM 968 O PRO A 64 -9.300 6.318 6.141 1.00 0.00 O ATOM 969 CB PRO A 64 -6.498 8.173 6.359 1.00 0.00 C ATOM 970 CG PRO A 64 -5.942 7.598 5.066 1.00 0.00 C ATOM 971 CD PRO A 64 -5.999 6.082 5.169 1.00 0.00 C ATOM 0 HA PRO A 64 -7.017 7.059 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.194 8.987 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.700 8.582 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.524 7.945 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.916 7.932 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.558 5.650 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.001 5.646 5.142 1.00 0.00 H new ATOM 979 N PRO A 65 -9.340 7.990 7.709 1.00 0.00 N ATOM 980 CA PRO A 65 -10.784 8.149 7.680 1.00 0.00 C ATOM 981 C PRO A 65 -11.230 8.883 6.413 1.00 0.00 C ATOM 982 O PRO A 65 -10.542 9.787 5.941 1.00 0.00 O ATOM 983 CB PRO A 65 -11.122 8.904 8.954 1.00 0.00 C ATOM 984 CG PRO A 65 -9.824 9.545 9.416 1.00 0.00 C ATOM 985 CD PRO A 65 -8.685 8.900 8.645 1.00 0.00 C ATOM 0 HA PRO A 65 -11.312 7.196 7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.886 9.659 8.769 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.517 8.230 9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.845 10.620 9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.688 9.402 10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.089 9.647 8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.009 8.364 9.311 1.00 0.00 H new ATOM 993 N GLY A 66 -12.377 8.466 5.899 1.00 0.00 N ATOM 994 CA GLY A 66 -12.923 9.072 4.697 1.00 0.00 C ATOM 995 C GLY A 66 -12.007 8.828 3.496 1.00 0.00 C ATOM 996 O GLY A 66 -12.075 9.549 2.502 1.00 0.00 O ATOM 0 H GLY A 66 -12.944 7.715 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.912 8.660 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.049 10.144 4.851 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.172 7.808 3.627 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.244 7.459 2.565 1.00 0.00 C ATOM 1002 C VAL A 67 -10.367 5.966 2.255 1.00 0.00 C ATOM 1003 O VAL A 67 -10.006 5.126 3.078 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.823 7.874 2.954 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.824 7.501 1.857 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.757 9.369 3.271 1.00 0.00 C ATOM 0 H VAL A 67 -11.119 7.212 4.453 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.488 8.001 1.652 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.549 7.328 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.822 7.807 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.842 6.423 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.095 8.008 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.737 9.638 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.060 9.941 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.427 9.595 4.101 1.00 0.00 H new ATOM 1016 N SER A 68 -10.878 5.680 1.066 1.00 0.00 N ATOM 1017 CA SER A 68 -11.053 4.303 0.638 1.00 0.00 C ATOM 1018 C SER A 68 -9.731 3.750 0.101 1.00 0.00 C ATOM 1019 O SER A 68 -8.942 4.484 -0.491 1.00 0.00 O ATOM 1020 CB SER A 68 -12.147 4.192 -0.426 1.00 0.00 C ATOM 1021 OG SER A 68 -13.187 5.144 -0.223 1.00 0.00 O ATOM 0 H SER A 68 -11.176 6.379 0.386 1.00 0.00 H new ATOM 0 HA SER A 68 -11.362 3.713 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.709 4.339 -1.413 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.568 3.187 -0.410 1.00 0.00 H new ATOM 0 HG SER A 68 -13.865 5.042 -0.923 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.531 2.460 0.328 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.319 1.800 -0.126 1.00 0.00 C ATOM 1029 C PHE A 69 -8.461 1.328 -1.575 1.00 0.00 C ATOM 1030 O PHE A 69 -9.497 0.785 -1.956 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.107 0.583 0.776 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.026 -0.379 0.280 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.718 -0.009 0.318 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.373 -1.604 -0.199 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.714 -0.902 -0.143 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.369 -2.497 -0.659 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.061 -2.127 -0.621 1.00 0.00 C ATOM 0 H PHE A 69 -10.188 1.854 0.820 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.479 2.493 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.842 0.927 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.048 0.041 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.443 0.963 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.412 -1.897 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.675 -0.608 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.644 -3.470 -1.039 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.297 -2.806 -0.971 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.405 1.553 -2.343 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.399 1.157 -3.741 1.00 0.00 C ATOM 1049 C LYS A 70 -6.015 1.423 -4.336 1.00 0.00 C ATOM 1050 O LYS A 70 -5.077 1.754 -3.612 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.537 1.845 -4.498 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.357 3.365 -4.494 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.673 4.073 -4.822 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.697 3.873 -3.703 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.882 3.145 -4.210 1.00 0.00 N ATOM 0 H LYS A 70 -6.548 2.004 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.586 0.087 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.568 1.481 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.492 1.587 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.999 3.690 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.597 3.647 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.491 5.138 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.074 3.688 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.244 3.316 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.001 4.840 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.567 3.017 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.323 3.691 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.590 2.214 -4.571 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.931 1.270 -5.650 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.677 1.490 -6.350 1.00 0.00 C ATOM 1071 C ALA A 71 -4.302 2.971 -6.262 1.00 0.00 C ATOM 1072 O ALA A 71 -5.173 3.829 -6.130 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.808 1.006 -7.796 1.00 0.00 C ATOM 0 H ALA A 71 -6.711 0.996 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.873 0.918 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.867 1.171 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.046 -0.058 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.604 1.560 -8.294 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.970 3.232 -6.342 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.468 4.594 -6.273 1.00 0.00 C ATOM 1081 C PRO A 72 -2.728 5.340 -7.583 1.00 0.00 C ATOM 1082 O PRO A 72 -2.568 6.558 -7.649 1.00 0.00 O ATOM 1083 CB PRO A 72 -0.989 4.453 -5.952 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.619 3.023 -6.312 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.909 2.241 -6.499 1.00 0.00 C ATOM 0 HA PRO A 72 -2.971 5.190 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.395 5.166 -6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.797 4.652 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.023 3.001 -7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.012 2.576 -5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.948 1.771 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.999 1.444 -5.761 1.00 0.00 H new ATOM 1093 N SER A 73 -3.124 4.579 -8.592 1.00 0.00 N ATOM 1094 CA SER A 73 -3.407 5.154 -9.897 1.00 0.00 C ATOM 1095 C SER A 73 -4.731 5.919 -9.855 1.00 0.00 C ATOM 1096 O SER A 73 -4.911 6.895 -10.582 1.00 0.00 O ATOM 1097 CB SER A 73 -3.454 4.071 -10.977 1.00 0.00 C ATOM 1098 OG SER A 73 -2.166 3.515 -11.232 1.00 0.00 O ATOM 0 H SER A 73 -3.256 3.569 -8.533 1.00 0.00 H new ATOM 0 HA SER A 73 -2.603 5.845 -10.148 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.136 3.279 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.855 4.494 -11.898 1.00 0.00 H new ATOM 0 HG SER A 73 -2.238 2.827 -11.926 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.623 5.448 -8.997 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.925 6.077 -8.851 1.00 0.00 C ATOM 1106 C TYR A 74 -6.914 7.104 -7.717 1.00 0.00 C ATOM 1107 O TYR A 74 -7.640 8.096 -7.766 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.899 4.952 -8.494 1.00 0.00 C ATOM 1109 CG TYR A 74 -7.901 3.791 -9.491 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -7.658 4.030 -10.828 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.147 2.506 -9.053 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -7.661 2.938 -11.767 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.150 1.414 -9.992 1.00 0.00 C ATOM 1114 CZ TYR A 74 -7.906 1.684 -11.303 1.00 0.00 C ATOM 1115 OH TYR A 74 -7.909 0.653 -12.189 1.00 0.00 O ATOM 0 H TYR A 74 -5.470 4.638 -8.396 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.204 6.598 -9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.648 4.568 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.906 5.364 -8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.466 5.036 -11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.337 2.319 -8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.473 3.112 -12.816 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.342 0.403 -9.663 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.097 -0.184 -11.716 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.083 6.831 -6.722 1.00 0.00 N ATOM 1126 CA LEU A 75 -5.968 7.720 -5.578 1.00 0.00 C ATOM 1127 C LEU A 75 -5.303 9.026 -6.017 1.00 0.00 C ATOM 1128 O LEU A 75 -4.463 9.028 -6.916 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.245 7.019 -4.426 1.00 0.00 C ATOM 1130 CG LEU A 75 -5.984 5.841 -3.788 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.086 5.104 -2.792 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.296 6.299 -3.147 1.00 0.00 C ATOM 0 H LEU A 75 -5.483 6.007 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.955 7.978 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.282 6.663 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.039 7.756 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.240 5.132 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.636 4.271 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.204 4.724 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.777 5.790 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.801 5.442 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.085 7.039 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.938 6.743 -3.908 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.704 10.106 -5.362 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.157 11.416 -5.673 1.00 0.00 C ATOM 1146 C GLU A 76 -3.884 11.666 -4.863 1.00 0.00 C ATOM 1147 O GLU A 76 -3.572 10.913 -3.942 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.191 12.515 -5.423 1.00 0.00 C ATOM 1149 CG GLU A 76 -7.235 12.551 -6.541 1.00 0.00 C ATOM 1150 CD GLU A 76 -8.368 13.522 -6.203 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -9.250 13.113 -5.417 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -8.327 14.651 -6.737 1.00 0.00 O ATOM 0 H GLU A 76 -6.401 10.101 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.900 11.439 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.684 12.344 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.691 13.481 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.761 12.851 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.642 11.552 -6.696 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.182 12.726 -5.235 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.950 13.085 -4.554 1.00 0.00 C ATOM 1161 C ILE A 77 -2.212 13.176 -3.050 1.00 0.00 C ATOM 1162 O ILE A 77 -1.485 12.584 -2.253 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.359 14.363 -5.154 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -1.053 14.179 -6.642 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.128 14.819 -4.368 1.00 0.00 C ATOM 1166 CD1 ILE A 77 -0.047 15.225 -7.128 1.00 0.00 C ATOM 0 H ILE A 77 -3.443 13.348 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.195 12.313 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.104 15.155 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.655 13.179 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.974 14.259 -7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.273 15.729 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.409 15.016 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.631 14.037 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.153 15.072 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.458 16.223 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.881 15.126 -6.566 1.00 0.00 H new ATOM 1178 N SER A 78 -3.251 13.923 -2.706 1.00 0.00 N ATOM 1179 CA SER A 78 -3.617 14.099 -1.311 1.00 0.00 C ATOM 1180 C SER A 78 -3.874 12.738 -0.662 1.00 0.00 C ATOM 1181 O SER A 78 -3.381 12.465 0.431 1.00 0.00 O ATOM 1182 CB SER A 78 -4.851 14.994 -1.175 1.00 0.00 C ATOM 1183 OG SER A 78 -4.502 16.344 -0.885 1.00 0.00 O ATOM 0 H SER A 78 -3.851 14.413 -3.369 1.00 0.00 H new ATOM 0 HA SER A 78 -2.788 14.588 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.428 14.959 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.494 14.608 -0.384 1.00 0.00 H new ATOM 0 HG SER A 78 -5.317 16.883 -0.808 1.00 0.00 H new ATOM 1189 N SER A 79 -4.646 11.920 -1.362 1.00 0.00 N ATOM 1190 CA SER A 79 -4.975 10.594 -0.867 1.00 0.00 C ATOM 1191 C SER A 79 -3.693 9.828 -0.533 1.00 0.00 C ATOM 1192 O SER A 79 -3.553 9.296 0.568 1.00 0.00 O ATOM 1193 CB SER A 79 -5.807 9.816 -1.888 1.00 0.00 C ATOM 1194 OG SER A 79 -6.915 10.575 -2.363 1.00 0.00 O ATOM 0 H SER A 79 -5.053 12.150 -2.268 1.00 0.00 H new ATOM 0 HA SER A 79 -5.571 10.705 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.175 9.532 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.168 8.893 -1.434 1.00 0.00 H new ATOM 0 HG SER A 79 -7.507 9.996 -2.887 1.00 0.00 H new ATOM 1200 N MET A 80 -2.791 9.796 -1.502 1.00 0.00 N ATOM 1201 CA MET A 80 -1.526 9.104 -1.325 1.00 0.00 C ATOM 1202 C MET A 80 -0.745 9.683 -0.143 1.00 0.00 C ATOM 1203 O MET A 80 -0.242 8.940 0.697 1.00 0.00 O ATOM 1204 CB MET A 80 -0.690 9.231 -2.600 1.00 0.00 C ATOM 1205 CG MET A 80 -1.378 8.535 -3.777 1.00 0.00 C ATOM 1206 SD MET A 80 -0.308 8.551 -5.205 1.00 0.00 S ATOM 1207 CE MET A 80 -0.758 10.127 -5.912 1.00 0.00 C ATOM 0 H MET A 80 -2.911 10.238 -2.413 1.00 0.00 H new ATOM 0 HA MET A 80 -1.734 8.054 -1.120 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.536 10.284 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.295 8.793 -2.439 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.625 7.508 -3.509 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.316 9.038 -4.010 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.911 10.014 -6.985 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.678 10.484 -5.450 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.040 10.847 -5.733 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.668 11.006 -0.117 1.00 0.00 N ATOM 1218 CA ARG A 81 0.042 11.694 0.947 1.00 0.00 C ATOM 1219 C ARG A 81 -0.482 11.245 2.312 1.00 0.00 C ATOM 1220 O ARG A 81 0.297 11.020 3.237 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.113 13.211 0.822 1.00 0.00 C ATOM 1222 CG ARG A 81 1.004 13.807 -0.037 1.00 0.00 C ATOM 1223 CD ARG A 81 2.380 13.388 0.484 1.00 0.00 C ATOM 1224 NE ARG A 81 3.397 14.386 0.086 1.00 0.00 N ATOM 1225 CZ ARG A 81 3.414 15.655 0.518 1.00 0.00 C ATOM 1226 NH1 ARG A 81 2.468 16.087 1.363 1.00 0.00 N ATOM 1227 NH2 ARG A 81 4.376 16.491 0.104 1.00 0.00 N ATOM 0 H ARG A 81 -1.086 11.619 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 81 1.098 11.440 0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.081 13.446 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.096 13.665 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.887 13.479 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.927 14.894 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.354 13.296 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.645 12.408 0.087 1.00 0.00 H new ATOM 0 HE ARG A 81 4.131 14.090 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.736 15.450 1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.480 17.052 1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.095 16.162 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.389 17.456 0.433 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.799 11.128 2.395 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.437 10.710 3.632 1.00 0.00 C ATOM 1243 C ARG A 82 -1.990 9.296 4.009 1.00 0.00 C ATOM 1244 O ARG A 82 -1.325 9.102 5.025 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.962 10.737 3.502 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.474 12.172 3.361 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.981 12.192 3.097 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.674 12.935 4.173 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.006 13.012 4.296 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.797 12.391 3.410 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.547 13.709 5.304 1.00 0.00 N ATOM 0 H ARG A 82 -2.442 11.315 1.626 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.137 11.410 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.267 10.151 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.414 10.270 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.253 12.732 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.951 12.670 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.183 12.659 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.363 11.172 3.044 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.102 13.419 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.385 11.860 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.811 12.449 3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.945 14.181 5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.561 13.767 5.397 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.372 8.345 3.169 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.018 6.955 3.401 1.00 0.00 C ATOM 1267 C ILE A 83 -0.575 6.878 3.904 1.00 0.00 C ATOM 1268 O ILE A 83 -0.302 6.245 4.922 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.277 6.120 2.146 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.777 5.958 1.895 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.561 4.770 2.228 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.094 6.026 0.399 1.00 0.00 C ATOM 0 H ILE A 83 -2.923 8.510 2.327 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.650 6.525 4.178 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.863 6.653 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.116 5.004 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.324 6.740 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.762 4.196 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.487 4.933 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.923 4.218 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.167 5.908 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.776 6.991 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.565 5.228 -0.122 1.00 0.00 H new ATOM 1284 N LEU A 84 0.311 7.532 3.167 1.00 0.00 N ATOM 1285 CA LEU A 84 1.719 7.545 3.525 1.00 0.00 C ATOM 1286 C LEU A 84 1.863 7.949 4.994 1.00 0.00 C ATOM 1287 O LEU A 84 2.496 7.242 5.777 1.00 0.00 O ATOM 1288 CB LEU A 84 2.509 8.434 2.563 1.00 0.00 C ATOM 1289 CG LEU A 84 2.757 7.858 1.168 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.314 8.925 0.224 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.661 6.625 1.236 1.00 0.00 C ATOM 0 H LEU A 84 0.081 8.057 2.323 1.00 0.00 H new ATOM 0 HA LEU A 84 2.147 6.548 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.978 9.380 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.473 8.660 3.018 1.00 0.00 H new ATOM 0 HG LEU A 84 1.800 7.534 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.481 8.488 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.601 9.745 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.257 9.303 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.821 6.235 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.620 6.901 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.187 5.860 1.850 1.00 0.00 H new ATOM 1303 N ASP A 85 1.265 9.084 5.324 1.00 0.00 N ATOM 1304 CA ASP A 85 1.319 9.590 6.685 1.00 0.00 C ATOM 1305 C ASP A 85 0.912 8.479 7.654 1.00 0.00 C ATOM 1306 O ASP A 85 1.274 8.512 8.829 1.00 0.00 O ATOM 1307 CB ASP A 85 0.352 10.761 6.875 1.00 0.00 C ATOM 1308 CG ASP A 85 0.366 11.390 8.270 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.371 12.066 8.578 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.630 11.181 8.996 1.00 0.00 O ATOM 0 H ASP A 85 0.741 9.668 4.672 1.00 0.00 H new ATOM 0 HA ASP A 85 2.337 9.927 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.590 11.532 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.659 10.417 6.658 1.00 0.00 H new ATOM 1315 N SER A 86 0.164 7.521 7.126 1.00 0.00 N ATOM 1316 CA SER A 86 -0.296 6.402 7.930 1.00 0.00 C ATOM 1317 C SER A 86 0.304 5.097 7.402 1.00 0.00 C ATOM 1318 O SER A 86 -0.306 4.036 7.523 1.00 0.00 O ATOM 1319 CB SER A 86 -1.824 6.319 7.936 1.00 0.00 C ATOM 1320 OG SER A 86 -2.403 7.213 8.882 1.00 0.00 O ATOM 0 H SER A 86 -0.135 7.497 6.151 1.00 0.00 H new ATOM 0 HA SER A 86 0.036 6.559 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.204 6.549 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.131 5.299 8.166 1.00 0.00 H new ATOM 0 HG SER A 86 -2.333 6.828 9.781 1.00 0.00 H new ATOM 1326 N ALA A 87 1.492 5.219 6.829 1.00 0.00 N ATOM 1327 CA ALA A 87 2.182 4.062 6.283 1.00 0.00 C ATOM 1328 C ALA A 87 2.271 2.974 7.354 1.00 0.00 C ATOM 1329 O ALA A 87 1.796 1.857 7.151 1.00 0.00 O ATOM 1330 CB ALA A 87 3.558 4.485 5.766 1.00 0.00 C ATOM 0 H ALA A 87 1.995 6.101 6.731 1.00 0.00 H new ATOM 0 HA ALA A 87 1.629 3.649 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.075 3.617 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.438 5.237 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.142 4.902 6.586 1.00 0.00 H new ATOM 1336 N GLU A 88 2.881 3.337 8.473 1.00 0.00 N ATOM 1337 CA GLU A 88 3.038 2.405 9.576 1.00 0.00 C ATOM 1338 C GLU A 88 1.670 1.935 10.073 1.00 0.00 C ATOM 1339 O GLU A 88 1.534 0.815 10.563 1.00 0.00 O ATOM 1340 CB GLU A 88 3.848 3.033 10.713 1.00 0.00 C ATOM 1341 CG GLU A 88 3.115 4.237 11.308 1.00 0.00 C ATOM 1342 CD GLU A 88 3.976 4.936 12.362 1.00 0.00 C ATOM 1343 OE1 GLU A 88 4.582 4.206 13.176 1.00 0.00 O ATOM 1344 OE2 GLU A 88 4.008 6.186 12.331 1.00 0.00 O ATOM 0 H GLU A 88 3.272 4.264 8.639 1.00 0.00 H new ATOM 0 HA GLU A 88 3.590 1.537 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.026 2.290 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.824 3.345 10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.861 4.941 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.177 3.911 11.757 1.00 0.00 H new ATOM 1351 N PHE A 89 0.689 2.815 9.929 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.664 2.504 10.357 1.00 0.00 C ATOM 1353 C PHE A 89 -1.282 1.418 9.474 1.00 0.00 C ATOM 1354 O PHE A 89 -1.960 0.520 9.971 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.484 3.788 10.215 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.767 4.495 11.542 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.260 3.791 12.596 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.525 5.828 11.668 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.523 4.447 13.828 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.787 6.484 12.900 1.00 0.00 C ATOM 1361 CZ PHE A 89 -2.281 5.780 13.953 1.00 0.00 C ATOM 0 H PHE A 89 0.805 3.743 9.522 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.655 2.138 11.384 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.954 4.475 9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.432 3.550 9.732 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.452 2.733 12.496 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.134 6.387 10.831 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.915 3.888 14.665 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.594 7.542 13.000 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.481 6.279 14.889 1.00 0.00 H new ATOM 1371 N ILE A 90 -1.027 1.537 8.179 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.550 0.576 7.222 1.00 0.00 C ATOM 1373 C ILE A 90 -1.453 -0.831 7.814 1.00 0.00 C ATOM 1374 O ILE A 90 -0.648 -1.078 8.710 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.844 0.726 5.873 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.941 2.164 5.359 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.383 -0.283 4.857 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.284 2.792 5.738 1.00 0.00 C ATOM 0 H ILE A 90 -0.465 2.284 7.770 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.605 0.768 7.027 1.00 0.00 H new ATOM 0 HB ILE A 90 0.214 0.506 6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.127 2.758 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.823 2.176 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.864 -0.155 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.218 -1.295 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.451 -0.119 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.327 3.814 5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.095 2.209 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.388 2.801 6.823 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.287 -1.718 7.289 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.305 -3.094 7.754 1.00 0.00 C ATOM 1392 C LYS A 91 -3.025 -3.966 6.724 1.00 0.00 C ATOM 1393 O LYS A 91 -3.865 -3.477 5.970 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.908 -3.177 9.158 1.00 0.00 C ATOM 1395 CG LYS A 91 -2.490 -4.471 9.859 1.00 0.00 C ATOM 1396 CD LYS A 91 -3.672 -5.437 9.976 1.00 0.00 C ATOM 1397 CE LYS A 91 -4.068 -5.642 11.440 1.00 0.00 C ATOM 1398 NZ LYS A 91 -5.125 -6.672 11.551 1.00 0.00 N ATOM 0 H LYS A 91 -2.955 -1.510 6.546 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.289 -3.479 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.585 -2.319 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.995 -3.129 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.681 -4.945 9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.103 -4.242 10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.522 -5.047 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.409 -6.396 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.196 -5.943 12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.422 -4.702 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.921 -7.293 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.046 -6.210 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.152 -7.237 10.678 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.670 -5.243 6.725 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.272 -6.188 5.800 1.00 0.00 C ATOM 1414 C PHE A 92 -3.487 -7.548 6.467 1.00 0.00 C ATOM 1415 O PHE A 92 -2.530 -8.192 6.894 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.297 -6.354 4.633 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.392 -5.249 3.579 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.961 -3.992 3.870 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.909 -5.523 2.351 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.050 -2.967 2.893 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -2.998 -4.497 1.373 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.567 -3.241 1.665 1.00 0.00 C ATOM 0 H PHE A 92 -1.973 -5.645 7.352 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.243 -5.818 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.280 -6.382 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.481 -7.316 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.551 -3.774 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.252 -6.521 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.707 -1.969 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.408 -4.714 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.635 -2.461 0.922 1.00 0.00 H new ATOM 1432 N THR A 93 -4.749 -7.944 6.537 1.00 0.00 N ATOM 1433 CA THR A 93 -5.102 -9.215 7.145 1.00 0.00 C ATOM 1434 C THR A 93 -5.498 -10.229 6.070 1.00 0.00 C ATOM 1435 O THR A 93 -6.368 -9.956 5.244 1.00 0.00 O ATOM 1436 CB THR A 93 -6.205 -8.958 8.174 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.647 -7.976 9.043 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.452 -10.163 9.083 1.00 0.00 C ATOM 0 H THR A 93 -5.540 -7.407 6.182 1.00 0.00 H new ATOM 0 HA THR A 93 -4.250 -9.655 7.664 1.00 0.00 H new ATOM 0 HB THR A 93 -7.129 -8.699 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.288 -7.244 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.244 -9.926 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.751 -11.019 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.538 -10.403 9.625 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.841 -11.379 6.115 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.114 -12.435 5.155 1.00 0.00 C ATOM 1448 C VAL A 94 -6.058 -13.461 5.787 1.00 0.00 C ATOM 1449 O VAL A 94 -5.613 -14.493 6.286 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.801 -13.051 4.668 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -4.063 -14.289 3.807 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.962 -12.022 3.907 1.00 0.00 C ATOM 0 H VAL A 94 -4.120 -11.602 6.801 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.615 -12.032 4.275 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.233 -13.365 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.114 -14.708 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.602 -15.033 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.661 -14.009 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.034 -12.485 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.522 -11.664 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.732 -11.183 4.564 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.343 -13.140 5.744 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.353 -14.021 6.305 1.00 0.00 C ATOM 1464 C ILE A 95 -8.407 -15.314 5.488 1.00 0.00 C ATOM 1465 O ILE A 95 -8.322 -16.408 6.044 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.698 -13.299 6.405 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.653 -12.200 7.468 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.836 -14.291 6.654 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.737 -11.054 7.034 1.00 0.00 C ATOM 0 H ILE A 95 -7.708 -12.282 5.329 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.091 -14.300 7.326 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.897 -12.814 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.659 -11.819 7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.299 -12.616 8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.781 -13.752 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.883 -15.005 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.656 -14.825 7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.723 -10.286 7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.727 -11.434 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.108 -10.624 6.103 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.550 -15.144 4.182 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.617 -16.284 3.282 1.00 0.00 C ATOM 1483 C ARG A 96 -7.746 -16.038 2.048 1.00 0.00 C ATOM 1484 O ARG A 96 -7.824 -14.977 1.430 1.00 0.00 O ATOM 1485 CB ARG A 96 -10.056 -16.551 2.838 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.985 -16.693 4.045 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.791 -17.991 3.968 1.00 0.00 C ATOM 1488 NE ARG A 96 -11.111 -19.055 4.741 1.00 0.00 N ATOM 1489 CZ ARG A 96 -11.359 -20.364 4.596 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -12.271 -20.779 3.707 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -10.694 -21.258 5.341 1.00 0.00 N ATOM 0 H ARG A 96 -8.621 -14.235 3.725 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.248 -17.156 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.402 -15.735 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.092 -17.460 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.398 -16.679 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.664 -15.841 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.795 -17.829 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.901 -18.299 2.928 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.410 -18.774 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.777 -20.099 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.459 -21.775 3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.000 -20.942 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.882 -22.254 5.231 1.00 0.00 H new