USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0632) USER MOD Single : A 18 GLN : amide:sc= -2.23 K(o=-2.2,f=-0.26) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.81 K(o=-1.8,f=-8.5!) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0778) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0576 (180deg=-0.476) USER MOD Single : A 41 SER OG : rot 64:sc= 1.3 USER MOD Single : A 44 THR OG1 : rot -58:sc= -1.72! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 52 THR OG1 : rot 83:sc= 0.00975 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.857 1.529 5.994 1.00 0.00 N ATOM 178 CA PRO A 13 -9.014 2.728 6.002 1.00 0.00 C ATOM 179 C PRO A 13 -8.280 2.928 4.681 1.00 0.00 C ATOM 180 O PRO A 13 -8.557 2.245 3.695 1.00 0.00 O ATOM 181 CB PRO A 13 -8.019 2.455 7.132 1.00 0.00 C ATOM 182 CG PRO A 13 -7.942 0.969 7.218 1.00 0.00 C ATOM 183 CD PRO A 13 -9.213 0.392 6.673 1.00 0.00 C ATOM 0 HA PRO A 13 -9.599 3.637 6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.044 2.890 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.359 2.889 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.086 0.601 6.652 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.798 0.657 8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.015 -0.427 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.843 -0.008 7.468 1.00 0.00 H new ATOM 191 N TYR A 14 -7.341 3.868 4.668 1.00 0.00 N ATOM 192 CA TYR A 14 -6.567 4.159 3.467 1.00 0.00 C ATOM 193 C TYR A 14 -7.466 4.694 2.356 1.00 0.00 C ATOM 194 O TYR A 14 -8.281 3.961 1.795 1.00 0.00 O ATOM 195 CB TYR A 14 -5.838 2.903 2.988 1.00 0.00 C ATOM 196 CG TYR A 14 -5.080 2.188 4.084 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.986 2.782 4.700 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.458 0.919 4.503 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.290 2.132 5.701 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.769 0.262 5.504 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.686 0.873 6.099 1.00 0.00 C ATOM 202 OH TYR A 14 -2.996 0.223 7.097 1.00 0.00 O ATOM 0 H TYR A 14 -7.098 4.441 5.476 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.832 4.925 3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.563 2.216 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.142 3.177 2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.674 3.769 4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.306 0.437 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.441 2.607 6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.077 -0.724 5.818 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.403 -0.653 7.259 1.00 0.00 H new ATOM 212 N SER A 15 -7.311 5.976 2.044 1.00 0.00 N ATOM 213 CA SER A 15 -8.110 6.611 1.002 1.00 0.00 C ATOM 214 C SER A 15 -7.730 6.078 -0.376 1.00 0.00 C ATOM 215 O SER A 15 -6.690 5.441 -0.543 1.00 0.00 O ATOM 216 CB SER A 15 -7.925 8.129 1.042 1.00 0.00 C ATOM 217 OG SER A 15 -8.816 8.728 1.967 1.00 0.00 O ATOM 0 H SER A 15 -6.640 6.596 2.497 1.00 0.00 H new ATOM 0 HA SER A 15 -9.158 6.374 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.897 8.366 1.317 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.093 8.545 0.049 1.00 0.00 H new ATOM 0 HG SER A 15 -8.676 9.698 1.975 1.00 0.00 H new ATOM 223 N LYS A 16 -8.581 6.342 -1.361 1.00 0.00 N ATOM 224 CA LYS A 16 -8.337 5.891 -2.726 1.00 0.00 C ATOM 225 C LYS A 16 -6.943 6.297 -3.192 1.00 0.00 C ATOM 226 O LYS A 16 -6.272 5.549 -3.902 1.00 0.00 O ATOM 227 CB LYS A 16 -9.391 6.468 -3.672 1.00 0.00 C ATOM 228 CG LYS A 16 -10.670 5.650 -3.730 1.00 0.00 C ATOM 229 CD LYS A 16 -11.505 5.830 -2.473 1.00 0.00 C ATOM 230 CE LYS A 16 -12.985 5.615 -2.752 1.00 0.00 C ATOM 231 NZ LYS A 16 -13.247 4.282 -3.360 1.00 0.00 N ATOM 0 H LYS A 16 -9.447 6.867 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.403 4.803 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.633 7.483 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.968 6.537 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.254 5.947 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.423 4.596 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.172 5.127 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.351 6.832 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.547 5.707 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.346 6.396 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.272 4.104 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.874 4.264 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.778 3.545 -2.796 1.00 0.00 H new ATOM 245 N GLY A 17 -6.512 7.488 -2.786 1.00 0.00 N ATOM 246 CA GLY A 17 -5.199 7.973 -3.171 1.00 0.00 C ATOM 247 C GLY A 17 -4.078 7.210 -2.493 1.00 0.00 C ATOM 248 O GLY A 17 -3.070 6.888 -3.122 1.00 0.00 O ATOM 0 H GLY A 17 -7.049 8.125 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.088 7.892 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.118 9.031 -2.921 1.00 0.00 H new ATOM 252 N GLN A 18 -4.253 6.923 -1.207 1.00 0.00 N ATOM 253 CA GLN A 18 -3.246 6.196 -0.444 1.00 0.00 C ATOM 254 C GLN A 18 -3.119 4.759 -0.940 1.00 0.00 C ATOM 255 O GLN A 18 -2.012 4.247 -1.114 1.00 0.00 O ATOM 256 CB GLN A 18 -3.599 6.204 1.044 1.00 0.00 C ATOM 257 CG GLN A 18 -3.382 7.552 1.713 1.00 0.00 C ATOM 258 CD GLN A 18 -3.837 7.566 3.160 1.00 0.00 C ATOM 259 OE1 GLN A 18 -4.517 8.492 3.600 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.461 6.535 3.908 1.00 0.00 N ATOM 0 H GLN A 18 -5.082 7.183 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.288 6.696 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.642 5.912 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.998 5.453 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.324 7.810 1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.922 8.320 1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.897 5.789 3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.736 6.489 4.889 1.00 0.00 H new ATOM 269 N LEU A 19 -4.258 4.114 -1.166 1.00 0.00 N ATOM 270 CA LEU A 19 -4.274 2.735 -1.642 1.00 0.00 C ATOM 271 C LEU A 19 -3.751 2.647 -3.072 1.00 0.00 C ATOM 272 O LEU A 19 -3.262 1.601 -3.502 1.00 0.00 O ATOM 273 CB LEU A 19 -5.692 2.167 -1.570 1.00 0.00 C ATOM 274 CG LEU A 19 -6.297 2.046 -0.171 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.813 1.956 -0.250 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.726 0.835 0.553 1.00 0.00 C ATOM 0 H LEU A 19 -5.182 4.523 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.620 2.146 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.345 2.797 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.690 1.179 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.036 2.940 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.225 1.870 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.206 2.853 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.096 1.080 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.167 0.764 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.956 -0.068 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.645 0.941 0.643 1.00 0.00 H new ATOM 288 N ARG A 20 -3.854 3.751 -3.804 1.00 0.00 N ATOM 289 CA ARG A 20 -3.390 3.799 -5.185 1.00 0.00 C ATOM 290 C ARG A 20 -1.914 3.423 -5.276 1.00 0.00 C ATOM 291 O ARG A 20 -1.481 2.802 -6.247 1.00 0.00 O ATOM 292 CB ARG A 20 -3.609 5.195 -5.772 1.00 0.00 C ATOM 293 CG ARG A 20 -3.570 5.230 -7.291 1.00 0.00 C ATOM 294 CD ARG A 20 -3.737 6.646 -7.819 1.00 0.00 C ATOM 295 NE ARG A 20 -4.341 6.667 -9.149 1.00 0.00 N ATOM 296 CZ ARG A 20 -5.625 6.414 -9.376 1.00 0.00 C ATOM 297 NH1 ARG A 20 -6.436 6.123 -8.368 1.00 0.00 N ATOM 298 NH2 ARG A 20 -6.101 6.451 -10.615 1.00 0.00 N ATOM 0 H ARG A 20 -4.255 4.625 -3.463 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.968 3.076 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.573 5.575 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.845 5.868 -5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.623 4.819 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.361 4.595 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.358 7.219 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.764 7.137 -7.855 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.744 6.888 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.074 6.093 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.422 5.929 -8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.480 6.674 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.087 6.257 -10.788 1.00 0.00 H new ATOM 312 N GLU A 21 -1.148 3.805 -4.260 1.00 0.00 N ATOM 313 CA GLU A 21 0.280 3.508 -4.226 1.00 0.00 C ATOM 314 C GLU A 21 0.533 2.112 -3.665 1.00 0.00 C ATOM 315 O GLU A 21 1.439 1.406 -4.111 1.00 0.00 O ATOM 316 CB GLU A 21 1.020 4.550 -3.385 1.00 0.00 C ATOM 317 CG GLU A 21 0.827 5.976 -3.873 1.00 0.00 C ATOM 318 CD GLU A 21 1.010 6.109 -5.373 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.941 5.477 -5.914 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.223 6.844 -6.004 1.00 0.00 O ATOM 0 H GLU A 21 -1.491 4.321 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 21 0.656 3.543 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.679 4.479 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.085 4.316 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.172 6.317 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.536 6.629 -3.365 1.00 0.00 H new ATOM 327 N LEU A 22 -0.273 1.720 -2.685 1.00 0.00 N ATOM 328 CA LEU A 22 -0.137 0.409 -2.061 1.00 0.00 C ATOM 329 C LEU A 22 -0.471 -0.703 -3.051 1.00 0.00 C ATOM 330 O LEU A 22 0.338 -1.599 -3.288 1.00 0.00 O ATOM 331 CB LEU A 22 -1.049 0.307 -0.837 1.00 0.00 C ATOM 332 CG LEU A 22 -0.691 1.211 0.344 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.860 1.314 1.311 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.549 0.692 1.056 1.00 0.00 C ATOM 0 H LEU A 22 -1.028 2.291 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 22 0.900 0.291 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.068 0.536 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.046 -0.727 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.475 2.208 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.587 1.961 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.724 1.733 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.109 0.322 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.789 1.347 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.361 -0.316 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.387 0.672 0.359 1.00 0.00 H new ATOM 346 N GLU A 23 -1.667 -0.635 -3.628 1.00 0.00 N ATOM 347 CA GLU A 23 -2.106 -1.635 -4.594 1.00 0.00 C ATOM 348 C GLU A 23 -1.081 -1.797 -5.713 1.00 0.00 C ATOM 349 O GLU A 23 -0.718 -2.915 -6.078 1.00 0.00 O ATOM 350 CB GLU A 23 -3.463 -1.245 -5.183 1.00 0.00 C ATOM 351 CG GLU A 23 -4.614 -1.375 -4.199 1.00 0.00 C ATOM 352 CD GLU A 23 -5.936 -0.919 -4.785 1.00 0.00 C ATOM 353 OE1 GLU A 23 -6.462 -1.618 -5.677 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.445 0.136 -4.352 1.00 0.00 O ATOM 0 H GLU A 23 -2.348 0.101 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.204 -2.588 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.413 -0.215 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.666 -1.871 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.700 -2.414 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.394 -0.787 -3.308 1.00 0.00 H new ATOM 361 N ARG A 24 -0.620 -0.674 -6.253 1.00 0.00 N ATOM 362 CA ARG A 24 0.362 -0.691 -7.331 1.00 0.00 C ATOM 363 C ARG A 24 1.657 -1.357 -6.876 1.00 0.00 C ATOM 364 O ARG A 24 2.123 -2.315 -7.492 1.00 0.00 O ATOM 365 CB ARG A 24 0.648 0.733 -7.811 1.00 0.00 C ATOM 366 CG ARG A 24 -0.379 1.262 -8.798 1.00 0.00 C ATOM 367 CD ARG A 24 0.223 2.306 -9.724 1.00 0.00 C ATOM 368 NE ARG A 24 1.070 1.705 -10.750 1.00 0.00 N ATOM 369 CZ ARG A 24 1.636 2.396 -11.733 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.447 3.705 -11.823 1.00 0.00 N ATOM 371 NH2 ARG A 24 2.394 1.777 -12.630 1.00 0.00 N ATOM 0 H ARG A 24 -0.911 0.259 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.052 -1.269 -8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.685 1.397 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.633 0.759 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.776 0.436 -9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.217 1.697 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.577 2.872 -10.201 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.810 3.014 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 24 1.236 0.699 -10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.865 4.185 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.883 4.232 -12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.542 0.770 -12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.828 2.308 -13.385 1.00 0.00 H new ATOM 385 N GLU A 25 2.234 -0.841 -5.795 1.00 0.00 N ATOM 386 CA GLU A 25 3.476 -1.385 -5.260 1.00 0.00 C ATOM 387 C GLU A 25 3.336 -2.876 -4.968 1.00 0.00 C ATOM 388 O GLU A 25 4.270 -3.651 -5.179 1.00 0.00 O ATOM 389 CB GLU A 25 3.877 -0.641 -3.985 1.00 0.00 C ATOM 390 CG GLU A 25 4.755 0.573 -4.239 1.00 0.00 C ATOM 391 CD GLU A 25 4.283 1.397 -5.421 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.543 0.988 -6.572 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.653 2.452 -5.195 1.00 0.00 O ATOM 0 H GLU A 25 1.861 -0.048 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 25 4.254 -1.251 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.976 -0.324 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.405 -1.329 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.770 1.199 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.780 0.245 -4.415 1.00 0.00 H new ATOM 400 N TYR A 26 2.164 -3.271 -4.483 1.00 0.00 N ATOM 401 CA TYR A 26 1.902 -4.668 -4.159 1.00 0.00 C ATOM 402 C TYR A 26 1.892 -5.527 -5.420 1.00 0.00 C ATOM 403 O TYR A 26 2.528 -6.579 -5.473 1.00 0.00 O ATOM 404 CB TYR A 26 0.565 -4.802 -3.428 1.00 0.00 C ATOM 405 CG TYR A 26 0.120 -6.234 -3.237 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.886 -7.127 -2.498 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.065 -6.694 -3.796 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.484 -8.437 -2.321 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.476 -8.002 -3.623 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.698 -8.869 -2.886 1.00 0.00 C ATOM 411 OH TYR A 26 -1.103 -10.173 -2.712 1.00 0.00 O ATOM 0 H TYR A 26 1.380 -2.643 -4.306 1.00 0.00 H new ATOM 0 HA TYR A 26 2.702 -5.019 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.644 -4.322 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.201 -4.264 -3.987 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.812 -6.791 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.676 -6.018 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.091 -9.119 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.402 -8.343 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.956 -10.315 -3.173 1.00 0.00 H new ATOM 421 N ALA A 27 1.166 -5.068 -6.435 1.00 0.00 N ATOM 422 CA ALA A 27 1.075 -5.792 -7.697 1.00 0.00 C ATOM 423 C ALA A 27 2.432 -5.865 -8.387 1.00 0.00 C ATOM 424 O ALA A 27 2.718 -6.814 -9.116 1.00 0.00 O ATOM 425 CB ALA A 27 0.051 -5.133 -8.610 1.00 0.00 C ATOM 0 H ALA A 27 0.633 -4.199 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 27 0.752 -6.810 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.007 -5.684 -9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.925 -5.138 -8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.351 -4.104 -8.811 1.00 0.00 H new ATOM 431 N ALA A 28 3.265 -4.855 -8.153 1.00 0.00 N ATOM 432 CA ALA A 28 4.593 -4.806 -8.752 1.00 0.00 C ATOM 433 C ALA A 28 5.569 -5.703 -7.998 1.00 0.00 C ATOM 434 O ALA A 28 6.557 -6.173 -8.561 1.00 0.00 O ATOM 435 CB ALA A 28 5.105 -3.374 -8.783 1.00 0.00 C ATOM 0 H ALA A 28 3.043 -4.060 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 28 4.517 -5.175 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.098 -3.352 -9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.426 -2.758 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.159 -2.985 -7.766 1.00 0.00 H new ATOM 441 N ASN A 29 5.285 -5.936 -6.720 1.00 0.00 N ATOM 442 CA ASN A 29 6.139 -6.776 -5.888 1.00 0.00 C ATOM 443 C ASN A 29 5.461 -7.093 -4.559 1.00 0.00 C ATOM 444 O ASN A 29 5.233 -6.204 -3.738 1.00 0.00 O ATOM 445 CB ASN A 29 7.480 -6.085 -5.638 1.00 0.00 C ATOM 446 CG ASN A 29 7.317 -4.717 -5.003 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.351 -4.579 -3.781 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.136 -3.698 -5.835 1.00 0.00 N ATOM 0 H ASN A 29 4.470 -5.555 -6.239 1.00 0.00 H new ATOM 0 HA ASN A 29 6.314 -7.712 -6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.093 -6.712 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.014 -5.983 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.018 -2.754 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.115 -3.859 -6.842 1.00 0.00 H new ATOM 455 N LYS A 30 5.141 -8.366 -4.353 1.00 0.00 N ATOM 456 CA LYS A 30 4.491 -8.803 -3.123 1.00 0.00 C ATOM 457 C LYS A 30 5.260 -8.316 -1.899 1.00 0.00 C ATOM 458 O LYS A 30 4.673 -8.055 -0.848 1.00 0.00 O ATOM 459 CB LYS A 30 4.379 -10.329 -3.095 1.00 0.00 C ATOM 460 CG LYS A 30 3.778 -10.918 -4.359 1.00 0.00 C ATOM 461 CD LYS A 30 3.418 -12.383 -4.175 1.00 0.00 C ATOM 462 CE LYS A 30 3.465 -13.138 -5.494 1.00 0.00 C ATOM 463 NZ LYS A 30 2.567 -12.529 -6.514 1.00 0.00 N ATOM 0 H LYS A 30 5.321 -9.114 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 30 3.490 -8.371 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.371 -10.755 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.770 -10.625 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.886 -10.355 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.486 -10.817 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.108 -12.842 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.420 -12.462 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.488 -13.148 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.176 -14.176 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.496 -13.162 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.622 -12.387 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.955 -11.612 -6.815 1.00 0.00 H new ATOM 477 N PHE A 31 6.575 -8.195 -2.042 1.00 0.00 N ATOM 478 CA PHE A 31 7.424 -7.739 -0.947 1.00 0.00 C ATOM 479 C PHE A 31 8.244 -6.522 -1.366 1.00 0.00 C ATOM 480 O PHE A 31 9.094 -6.608 -2.252 1.00 0.00 O ATOM 481 CB PHE A 31 8.356 -8.864 -0.493 1.00 0.00 C ATOM 482 CG PHE A 31 7.646 -10.162 -0.232 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.395 -11.050 -1.265 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.230 -10.493 1.047 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.742 -12.245 -1.028 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.577 -11.687 1.291 1.00 0.00 C ATOM 487 CZ PHE A 31 6.332 -12.563 0.251 1.00 0.00 C ATOM 0 H PHE A 31 7.076 -8.406 -2.905 1.00 0.00 H new ATOM 0 HA PHE A 31 6.780 -7.453 -0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.119 -9.023 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.873 -8.553 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.713 -10.806 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.418 -9.811 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.553 -12.929 -1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.259 -11.935 2.293 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.820 -13.495 0.439 1.00 0.00 H new ATOM 497 N ILE A 32 7.982 -5.390 -0.722 1.00 0.00 N ATOM 498 CA ILE A 32 8.695 -4.156 -1.026 1.00 0.00 C ATOM 499 C ILE A 32 10.052 -4.119 -0.332 1.00 0.00 C ATOM 500 O ILE A 32 10.393 -5.018 0.438 1.00 0.00 O ATOM 501 CB ILE A 32 7.883 -2.917 -0.605 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.713 -2.884 0.915 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.526 -2.914 -1.294 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.993 -1.652 1.417 1.00 0.00 C ATOM 0 H ILE A 32 7.281 -5.302 0.014 1.00 0.00 H new ATOM 0 HA ILE A 32 8.841 -4.135 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 32 8.427 -2.023 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.162 -3.770 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.696 -2.936 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.964 -2.032 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.667 -2.896 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.974 -3.812 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.909 -1.697 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.554 -0.762 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.997 -1.608 0.977 1.00 0.00 H new ATOM 516 N THR A 33 10.825 -3.073 -0.607 1.00 0.00 N ATOM 517 CA THR A 33 12.145 -2.918 -0.009 1.00 0.00 C ATOM 518 C THR A 33 12.163 -1.769 0.993 1.00 0.00 C ATOM 519 O THR A 33 11.317 -0.876 0.945 1.00 0.00 O ATOM 520 CB THR A 33 13.221 -2.666 -1.082 1.00 0.00 C ATOM 521 OG1 THR A 33 14.450 -2.274 -0.460 1.00 0.00 O ATOM 522 CG2 THR A 33 12.773 -1.587 -2.056 1.00 0.00 C ATOM 0 H THR A 33 10.559 -2.320 -1.241 1.00 0.00 H new ATOM 0 HA THR A 33 12.370 -3.851 0.508 1.00 0.00 H new ATOM 0 HB THR A 33 13.373 -3.592 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.130 -2.117 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.549 -1.427 -2.804 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.853 -1.901 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.595 -0.658 -1.514 1.00 0.00 H new ATOM 530 N LYS A 34 13.134 -1.797 1.900 1.00 0.00 N ATOM 531 CA LYS A 34 13.265 -0.757 2.913 1.00 0.00 C ATOM 532 C LYS A 34 13.261 0.628 2.274 1.00 0.00 C ATOM 533 O LYS A 34 12.808 1.600 2.880 1.00 0.00 O ATOM 534 CB LYS A 34 14.552 -0.957 3.715 1.00 0.00 C ATOM 535 CG LYS A 34 14.355 -1.754 4.992 1.00 0.00 C ATOM 536 CD LYS A 34 15.641 -1.844 5.798 1.00 0.00 C ATOM 537 CE LYS A 34 15.429 -2.594 7.104 1.00 0.00 C ATOM 538 NZ LYS A 34 16.671 -2.641 7.924 1.00 0.00 N ATOM 0 H LYS A 34 13.842 -2.529 1.954 1.00 0.00 H new ATOM 0 HA LYS A 34 12.410 -0.830 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.285 -1.465 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.969 0.018 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.577 -1.287 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.008 -2.758 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.407 -2.348 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.010 -0.840 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.635 -2.112 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.097 -3.610 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.485 -3.160 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.422 -3.123 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.974 -1.672 8.150 1.00 0.00 H new ATOM 552 N ASP A 35 13.766 0.711 1.049 1.00 0.00 N ATOM 553 CA ASP A 35 13.819 1.977 0.327 1.00 0.00 C ATOM 554 C ASP A 35 12.429 2.391 -0.146 1.00 0.00 C ATOM 555 O ASP A 35 12.085 3.574 -0.139 1.00 0.00 O ATOM 556 CB ASP A 35 14.766 1.868 -0.869 1.00 0.00 C ATOM 557 CG ASP A 35 16.218 2.055 -0.476 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.592 1.623 0.634 1.00 0.00 O ATOM 559 OD2 ASP A 35 16.980 2.635 -1.278 1.00 0.00 O ATOM 0 H ASP A 35 14.145 -0.084 0.534 1.00 0.00 H new ATOM 0 HA ASP A 35 14.194 2.740 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.642 0.892 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.495 2.617 -1.613 1.00 0.00 H new ATOM 564 N LYS A 36 11.632 1.410 -0.557 1.00 0.00 N ATOM 565 CA LYS A 36 10.279 1.671 -1.033 1.00 0.00 C ATOM 566 C LYS A 36 9.340 1.968 0.132 1.00 0.00 C ATOM 567 O LYS A 36 8.581 2.936 0.098 1.00 0.00 O ATOM 568 CB LYS A 36 9.757 0.474 -1.830 1.00 0.00 C ATOM 569 CG LYS A 36 8.282 0.572 -2.180 1.00 0.00 C ATOM 570 CD LYS A 36 7.996 1.779 -3.056 1.00 0.00 C ATOM 571 CE LYS A 36 8.611 1.623 -4.439 1.00 0.00 C ATOM 572 NZ LYS A 36 8.226 2.739 -5.346 1.00 0.00 N ATOM 0 H LYS A 36 11.900 0.426 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 36 10.312 2.546 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.335 0.381 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.925 -0.436 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.968 -0.336 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.694 0.638 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.919 1.915 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.391 2.677 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.697 1.584 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.292 0.675 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.665 2.596 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.191 2.761 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.552 3.641 -4.944 1.00 0.00 H new ATOM 586 N ARG A 37 9.398 1.129 1.161 1.00 0.00 N ATOM 587 CA ARG A 37 8.553 1.302 2.337 1.00 0.00 C ATOM 588 C ARG A 37 8.672 2.720 2.887 1.00 0.00 C ATOM 589 O ARG A 37 7.722 3.257 3.457 1.00 0.00 O ATOM 590 CB ARG A 37 8.934 0.290 3.418 1.00 0.00 C ATOM 591 CG ARG A 37 7.918 0.191 4.545 1.00 0.00 C ATOM 592 CD ARG A 37 7.884 -1.206 5.143 1.00 0.00 C ATOM 593 NE ARG A 37 9.223 -1.711 5.433 1.00 0.00 N ATOM 594 CZ ARG A 37 9.504 -2.999 5.596 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.544 -3.908 5.497 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.748 -3.380 5.858 1.00 0.00 N ATOM 0 H ARG A 37 10.021 0.323 1.204 1.00 0.00 H new ATOM 0 HA ARG A 37 7.518 1.132 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.052 -0.692 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.902 0.565 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.163 0.915 5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.929 0.451 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.295 -1.193 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.383 -1.884 4.452 1.00 0.00 H new ATOM 0 HE ARG A 37 9.985 -1.038 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.587 -3.619 5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.763 -4.896 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.489 -2.684 5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.963 -4.369 5.983 1.00 0.00 H new ATOM 610 N ARG A 38 9.844 3.321 2.713 1.00 0.00 N ATOM 611 CA ARG A 38 10.088 4.675 3.194 1.00 0.00 C ATOM 612 C ARG A 38 9.434 5.704 2.276 1.00 0.00 C ATOM 613 O ARG A 38 8.942 6.736 2.732 1.00 0.00 O ATOM 614 CB ARG A 38 11.591 4.943 3.290 1.00 0.00 C ATOM 615 CG ARG A 38 12.262 4.238 4.457 1.00 0.00 C ATOM 616 CD ARG A 38 13.776 4.373 4.393 1.00 0.00 C ATOM 617 NE ARG A 38 14.225 5.698 4.813 1.00 0.00 N ATOM 618 CZ ARG A 38 14.287 6.085 6.082 1.00 0.00 C ATOM 619 NH1 ARG A 38 13.932 5.253 7.051 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.707 7.307 6.384 1.00 0.00 N ATOM 0 H ARG A 38 10.640 2.891 2.242 1.00 0.00 H new ATOM 0 HA ARG A 38 9.646 4.766 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.068 4.626 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.755 6.017 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.897 4.657 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.989 3.183 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.235 3.616 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.114 4.181 3.375 1.00 0.00 H new ATOM 0 HE ARG A 38 14.506 6.363 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.610 4.312 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.981 5.553 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.982 7.950 5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.754 7.604 7.359 1.00 0.00 H new ATOM 634 N LYS A 39 9.433 5.416 0.979 1.00 0.00 N ATOM 635 CA LYS A 39 8.840 6.314 -0.005 1.00 0.00 C ATOM 636 C LYS A 39 7.319 6.309 0.102 1.00 0.00 C ATOM 637 O LYS A 39 6.687 7.365 0.145 1.00 0.00 O ATOM 638 CB LYS A 39 9.265 5.908 -1.418 1.00 0.00 C ATOM 639 CG LYS A 39 10.681 6.326 -1.771 1.00 0.00 C ATOM 640 CD LYS A 39 10.750 7.795 -2.153 1.00 0.00 C ATOM 641 CE LYS A 39 10.330 8.015 -3.598 1.00 0.00 C ATOM 642 NZ LYS A 39 11.288 7.394 -4.555 1.00 0.00 N ATOM 0 H LYS A 39 9.837 4.567 0.584 1.00 0.00 H new ATOM 0 HA LYS A 39 9.197 7.323 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.179 4.826 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.575 6.350 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.339 6.139 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.046 5.717 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.104 8.374 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.766 8.162 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.336 7.596 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.260 9.084 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.200 7.855 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.259 7.512 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.075 6.380 -4.650 1.00 0.00 H new ATOM 656 N ILE A 40 6.737 5.115 0.144 1.00 0.00 N ATOM 657 CA ILE A 40 5.290 4.974 0.248 1.00 0.00 C ATOM 658 C ILE A 40 4.752 5.715 1.467 1.00 0.00 C ATOM 659 O ILE A 40 3.685 6.327 1.414 1.00 0.00 O ATOM 660 CB ILE A 40 4.873 3.494 0.336 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.417 2.716 -0.864 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.359 3.373 0.411 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.154 1.228 -0.790 1.00 0.00 C ATOM 0 H ILE A 40 7.245 4.232 0.108 1.00 0.00 H new ATOM 0 HA ILE A 40 4.865 5.409 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 40 5.297 3.066 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.969 3.111 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.491 2.883 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.081 2.321 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.995 3.897 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.914 3.814 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.567 0.741 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.625 0.819 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.079 1.050 -0.747 1.00 0.00 H new ATOM 675 N SER A 41 5.498 5.658 2.566 1.00 0.00 N ATOM 676 CA SER A 41 5.095 6.322 3.799 1.00 0.00 C ATOM 677 C SER A 41 5.004 7.832 3.599 1.00 0.00 C ATOM 678 O SER A 41 4.257 8.517 4.296 1.00 0.00 O ATOM 679 CB SER A 41 6.086 6.005 4.921 1.00 0.00 C ATOM 680 OG SER A 41 6.198 7.091 5.825 1.00 0.00 O ATOM 0 H SER A 41 6.385 5.158 2.627 1.00 0.00 H new ATOM 0 HA SER A 41 4.109 5.949 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.760 5.114 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.064 5.781 4.494 1.00 0.00 H new ATOM 0 HG SER A 41 5.338 7.235 6.272 1.00 0.00 H new ATOM 686 N ALA A 42 5.769 8.342 2.640 1.00 0.00 N ATOM 687 CA ALA A 42 5.774 9.770 2.345 1.00 0.00 C ATOM 688 C ALA A 42 4.705 10.121 1.316 1.00 0.00 C ATOM 689 O ALA A 42 4.039 11.150 1.425 1.00 0.00 O ATOM 690 CB ALA A 42 7.147 10.202 1.852 1.00 0.00 C ATOM 0 H ALA A 42 6.393 7.788 2.054 1.00 0.00 H new ATOM 0 HA ALA A 42 5.545 10.307 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.136 11.270 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.891 9.995 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.398 9.651 0.946 1.00 0.00 H new ATOM 696 N ALA A 43 4.547 9.260 0.316 1.00 0.00 N ATOM 697 CA ALA A 43 3.558 9.479 -0.732 1.00 0.00 C ATOM 698 C ALA A 43 2.140 9.353 -0.184 1.00 0.00 C ATOM 699 O ALA A 43 1.265 10.158 -0.504 1.00 0.00 O ATOM 700 CB ALA A 43 3.774 8.498 -1.875 1.00 0.00 C ATOM 0 H ALA A 43 5.092 8.404 0.210 1.00 0.00 H new ATOM 0 HA ALA A 43 3.684 10.493 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.028 8.673 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.771 8.639 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.677 7.478 -1.502 1.00 0.00 H new ATOM 706 N THR A 44 1.919 8.335 0.643 1.00 0.00 N ATOM 707 CA THR A 44 0.607 8.102 1.233 1.00 0.00 C ATOM 708 C THR A 44 0.542 8.641 2.658 1.00 0.00 C ATOM 709 O THR A 44 -0.455 8.457 3.356 1.00 0.00 O ATOM 710 CB THR A 44 0.255 6.603 1.247 1.00 0.00 C ATOM 711 OG1 THR A 44 1.121 5.905 2.149 1.00 0.00 O ATOM 712 CG2 THR A 44 0.379 6.006 -0.147 1.00 0.00 C ATOM 0 H THR A 44 2.632 7.659 0.919 1.00 0.00 H new ATOM 0 HA THR A 44 -0.117 8.631 0.613 1.00 0.00 H new ATOM 0 HB THR A 44 -0.777 6.497 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.053 6.040 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.126 4.946 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.302 6.520 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.402 6.123 -0.503 1.00 0.00 H new ATOM 720 N SER A 45 1.611 9.307 3.083 1.00 0.00 N ATOM 721 CA SER A 45 1.676 9.869 4.427 1.00 0.00 C ATOM 722 C SER A 45 1.336 8.814 5.475 1.00 0.00 C ATOM 723 O SER A 45 0.742 9.118 6.510 1.00 0.00 O ATOM 724 CB SER A 45 0.719 11.056 4.553 1.00 0.00 C ATOM 725 OG SER A 45 0.761 11.871 3.394 1.00 0.00 O ATOM 0 H SER A 45 2.443 9.470 2.516 1.00 0.00 H new ATOM 0 HA SER A 45 2.696 10.213 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.297 10.693 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.984 11.649 5.428 1.00 0.00 H new ATOM 0 HG SER A 45 0.139 12.621 3.499 1.00 0.00 H new ATOM 731 N LEU A 46 1.717 7.572 5.199 1.00 0.00 N ATOM 732 CA LEU A 46 1.454 6.469 6.117 1.00 0.00 C ATOM 733 C LEU A 46 2.709 6.103 6.904 1.00 0.00 C ATOM 734 O LEU A 46 3.769 6.698 6.711 1.00 0.00 O ATOM 735 CB LEU A 46 0.947 5.248 5.347 1.00 0.00 C ATOM 736 CG LEU A 46 -0.495 5.323 4.846 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.725 4.314 3.730 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.471 5.087 5.989 1.00 0.00 C ATOM 0 H LEU A 46 2.209 7.303 4.347 1.00 0.00 H new ATOM 0 HA LEU A 46 0.687 6.791 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.601 5.087 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.042 4.373 5.990 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.669 6.322 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.757 4.381 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.051 4.529 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.532 3.308 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.492 5.144 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.297 4.100 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.324 5.847 6.756 1.00 0.00 H new ATOM 750 N SER A 47 2.581 5.120 7.789 1.00 0.00 N ATOM 751 CA SER A 47 3.704 4.676 8.605 1.00 0.00 C ATOM 752 C SER A 47 4.381 3.458 7.983 1.00 0.00 C ATOM 753 O SER A 47 3.768 2.722 7.210 1.00 0.00 O ATOM 754 CB SER A 47 3.232 4.342 10.022 1.00 0.00 C ATOM 755 OG SER A 47 4.235 4.639 10.978 1.00 0.00 O ATOM 0 H SER A 47 1.711 4.616 7.959 1.00 0.00 H new ATOM 0 HA SER A 47 4.429 5.488 8.652 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.329 4.908 10.250 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.970 3.286 10.082 1.00 0.00 H new ATOM 0 HG SER A 47 3.908 4.418 11.875 1.00 0.00 H new ATOM 761 N GLU A 48 5.649 3.254 8.325 1.00 0.00 N ATOM 762 CA GLU A 48 6.410 2.127 7.799 1.00 0.00 C ATOM 763 C GLU A 48 5.703 0.808 8.096 1.00 0.00 C ATOM 764 O GLU A 48 5.623 -0.073 7.239 1.00 0.00 O ATOM 765 CB GLU A 48 7.818 2.110 8.397 1.00 0.00 C ATOM 766 CG GLU A 48 8.568 3.420 8.226 1.00 0.00 C ATOM 767 CD GLU A 48 9.960 3.378 8.828 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.899 2.956 8.123 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.108 3.769 10.005 1.00 0.00 O ATOM 0 H GLU A 48 6.171 3.854 8.964 1.00 0.00 H new ATOM 0 HA GLU A 48 6.484 2.244 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.749 1.876 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.392 1.309 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.642 3.656 7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.999 4.224 8.692 1.00 0.00 H new ATOM 776 N ARG A 49 5.192 0.678 9.316 1.00 0.00 N ATOM 777 CA ARG A 49 4.494 -0.534 9.727 1.00 0.00 C ATOM 778 C ARG A 49 3.131 -0.632 9.049 1.00 0.00 C ATOM 779 O ARG A 49 2.733 -1.701 8.588 1.00 0.00 O ATOM 780 CB ARG A 49 4.322 -0.558 11.247 1.00 0.00 C ATOM 781 CG ARG A 49 3.805 -1.884 11.781 1.00 0.00 C ATOM 782 CD ARG A 49 4.943 -2.850 12.070 1.00 0.00 C ATOM 783 NE ARG A 49 5.592 -3.313 10.846 1.00 0.00 N ATOM 784 CZ ARG A 49 6.818 -3.824 10.813 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.523 -3.936 11.929 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.340 -4.223 9.660 1.00 0.00 N ATOM 0 H ARG A 49 5.248 1.397 10.037 1.00 0.00 H new ATOM 0 HA ARG A 49 5.095 -1.391 9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.281 -0.336 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.633 0.235 11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.232 -1.712 12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.124 -2.329 11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.679 -2.362 12.709 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.559 -3.707 12.623 1.00 0.00 H new ATOM 0 HE ARG A 49 5.076 -3.240 9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.125 -3.630 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.464 -4.329 11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.800 -4.137 8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.281 -4.615 9.635 1.00 0.00 H new ATOM 800 N GLN A 50 2.420 0.490 8.994 1.00 0.00 N ATOM 801 CA GLN A 50 1.102 0.529 8.373 1.00 0.00 C ATOM 802 C GLN A 50 1.143 -0.064 6.969 1.00 0.00 C ATOM 803 O GLN A 50 0.321 -0.911 6.618 1.00 0.00 O ATOM 804 CB GLN A 50 0.583 1.967 8.318 1.00 0.00 C ATOM 805 CG GLN A 50 0.084 2.486 9.657 1.00 0.00 C ATOM 806 CD GLN A 50 -1.083 3.443 9.514 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.235 3.074 9.739 1.00 0.00 O ATOM 808 NE2 GLN A 50 -0.789 4.683 9.137 1.00 0.00 N ATOM 0 H GLN A 50 2.735 1.383 9.372 1.00 0.00 H new ATOM 0 HA GLN A 50 0.425 -0.071 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.380 2.618 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.227 2.024 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.216 1.643 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.901 2.990 10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.181 4.946 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.533 5.372 9.024 1.00 0.00 H new ATOM 817 N ILE A 51 2.104 0.387 6.170 1.00 0.00 N ATOM 818 CA ILE A 51 2.253 -0.100 4.804 1.00 0.00 C ATOM 819 C ILE A 51 2.614 -1.581 4.785 1.00 0.00 C ATOM 820 O ILE A 51 2.315 -2.292 3.825 1.00 0.00 O ATOM 821 CB ILE A 51 3.331 0.691 4.039 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.971 2.177 3.996 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.492 0.139 2.630 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.164 3.082 3.787 1.00 0.00 C ATOM 0 H ILE A 51 2.791 1.089 6.445 1.00 0.00 H new ATOM 0 HA ILE A 51 1.291 0.043 4.311 1.00 0.00 H new ATOM 0 HB ILE A 51 4.281 0.582 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.253 2.345 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.477 2.450 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.257 0.708 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.789 -0.908 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.545 0.222 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.834 4.121 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.874 2.942 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.646 2.836 2.841 1.00 0.00 H new ATOM 836 N THR A 52 3.259 -2.041 5.852 1.00 0.00 N ATOM 837 CA THR A 52 3.661 -3.438 5.959 1.00 0.00 C ATOM 838 C THR A 52 2.465 -4.333 6.265 1.00 0.00 C ATOM 839 O THR A 52 2.230 -5.326 5.577 1.00 0.00 O ATOM 840 CB THR A 52 4.727 -3.634 7.053 1.00 0.00 C ATOM 841 OG1 THR A 52 5.894 -2.863 6.743 1.00 0.00 O ATOM 842 CG2 THR A 52 5.104 -5.102 7.185 1.00 0.00 C ATOM 0 H THR A 52 3.514 -1.466 6.655 1.00 0.00 H new ATOM 0 HA THR A 52 4.085 -3.719 4.995 1.00 0.00 H new ATOM 0 HB THR A 52 4.309 -3.296 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.764 -1.938 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.858 -5.215 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.220 -5.682 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.504 -5.462 6.237 1.00 0.00 H new ATOM 850 N ILE A 53 1.713 -3.973 7.300 1.00 0.00 N ATOM 851 CA ILE A 53 0.540 -4.744 7.695 1.00 0.00 C ATOM 852 C ILE A 53 -0.401 -4.956 6.514 1.00 0.00 C ATOM 853 O ILE A 53 -0.841 -6.075 6.251 1.00 0.00 O ATOM 854 CB ILE A 53 -0.231 -4.050 8.834 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.676 -3.861 10.051 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.465 -4.859 9.206 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.189 -2.794 11.007 1.00 0.00 C ATOM 0 H ILE A 53 1.895 -3.154 7.880 1.00 0.00 H new ATOM 0 HA ILE A 53 0.900 -5.711 8.047 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.554 -3.068 8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.755 -4.808 10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.679 -3.602 9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.000 -4.357 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.117 -4.948 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.163 -5.853 9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.880 -2.714 11.846 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.136 -1.837 10.488 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.801 -3.061 11.377 1.00 0.00 H new ATOM 869 N TRP A 54 -0.705 -3.874 5.806 1.00 0.00 N ATOM 870 CA TRP A 54 -1.594 -3.943 4.651 1.00 0.00 C ATOM 871 C TRP A 54 -1.079 -4.948 3.627 1.00 0.00 C ATOM 872 O TRP A 54 -1.841 -5.763 3.106 1.00 0.00 O ATOM 873 CB TRP A 54 -1.731 -2.563 4.005 1.00 0.00 C ATOM 874 CG TRP A 54 -2.823 -2.492 2.981 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.137 -2.191 3.203 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.696 -2.729 1.575 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.834 -2.227 2.020 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.973 -2.554 1.006 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.628 -3.071 0.741 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.207 -2.710 -0.358 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.863 -3.226 -0.612 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.144 -3.044 -1.151 1.00 0.00 C ATOM 0 H TRP A 54 -0.350 -2.940 6.011 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.573 -4.274 4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.923 -1.823 4.782 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.785 -2.294 3.536 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.565 -1.959 4.167 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.831 -2.040 1.914 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.637 -3.212 1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.194 -2.572 -0.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.045 -3.492 -1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.294 -3.170 -2.213 1.00 0.00 H new ATOM 893 N PHE A 55 0.217 -4.885 3.342 1.00 0.00 N ATOM 894 CA PHE A 55 0.833 -5.790 2.379 1.00 0.00 C ATOM 895 C PHE A 55 0.718 -7.239 2.843 1.00 0.00 C ATOM 896 O PHE A 55 0.679 -8.161 2.029 1.00 0.00 O ATOM 897 CB PHE A 55 2.304 -5.425 2.171 1.00 0.00 C ATOM 898 CG PHE A 55 2.534 -4.501 1.010 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.962 -3.239 0.988 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.323 -4.893 -0.059 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.172 -2.387 -0.080 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.537 -4.046 -1.130 1.00 0.00 C ATOM 903 CZ PHE A 55 2.961 -2.790 -1.140 1.00 0.00 C ATOM 0 H PHE A 55 0.861 -4.216 3.764 1.00 0.00 H new ATOM 0 HA PHE A 55 0.303 -5.687 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.686 -4.957 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.878 -6.338 2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.345 -2.918 1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.777 -5.873 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.719 -1.406 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.153 -4.365 -1.958 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.127 -2.125 -1.975 1.00 0.00 H new ATOM 913 N GLN A 56 0.665 -7.430 4.157 1.00 0.00 N ATOM 914 CA GLN A 56 0.556 -8.767 4.731 1.00 0.00 C ATOM 915 C GLN A 56 -0.867 -9.301 4.599 1.00 0.00 C ATOM 916 O GLN A 56 -1.085 -10.385 4.059 1.00 0.00 O ATOM 917 CB GLN A 56 0.972 -8.749 6.202 1.00 0.00 C ATOM 918 CG GLN A 56 2.476 -8.670 6.408 1.00 0.00 C ATOM 919 CD GLN A 56 2.944 -9.472 7.607 1.00 0.00 C ATOM 920 OE1 GLN A 56 3.250 -10.659 7.493 1.00 0.00 O ATOM 921 NE2 GLN A 56 3.003 -8.825 8.765 1.00 0.00 N ATOM 0 H GLN A 56 0.696 -6.677 4.844 1.00 0.00 H new ATOM 0 HA GLN A 56 1.225 -9.428 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.501 -7.898 6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.594 -9.648 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.981 -9.033 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.767 -7.628 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.740 -7.841 8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.312 -9.312 9.606 1.00 0.00 H new ATOM 930 N ASN A 57 -1.831 -8.533 5.096 1.00 0.00 N ATOM 931 CA ASN A 57 -3.233 -8.930 5.035 1.00 0.00 C ATOM 932 C ASN A 57 -3.652 -9.224 3.598 1.00 0.00 C ATOM 933 O ASN A 57 -4.580 -9.997 3.357 1.00 0.00 O ATOM 934 CB ASN A 57 -4.121 -7.832 5.623 1.00 0.00 C ATOM 935 CG ASN A 57 -4.375 -8.025 7.105 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.554 -9.149 7.574 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.392 -6.927 7.851 1.00 0.00 N ATOM 0 H ASN A 57 -1.667 -7.632 5.545 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.354 -9.840 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.650 -6.862 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.073 -7.816 5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.558 -6.995 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.239 -6.015 7.420 1.00 0.00 H new ATOM 944 N ARG A 58 -2.962 -8.603 2.647 1.00 0.00 N ATOM 945 CA ARG A 58 -3.263 -8.798 1.233 1.00 0.00 C ATOM 946 C ARG A 58 -2.956 -10.229 0.804 1.00 0.00 C ATOM 947 O ARG A 58 -3.771 -10.880 0.150 1.00 0.00 O ATOM 948 CB ARG A 58 -2.461 -7.815 0.379 1.00 0.00 C ATOM 949 CG ARG A 58 -3.190 -7.362 -0.876 1.00 0.00 C ATOM 950 CD ARG A 58 -4.451 -6.582 -0.537 1.00 0.00 C ATOM 951 NE ARG A 58 -5.014 -5.917 -1.708 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.254 -5.444 -1.760 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.057 -5.563 -0.711 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.695 -4.851 -2.862 1.00 0.00 N ATOM 0 H ARG A 58 -2.191 -7.961 2.829 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.327 -8.613 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.215 -6.941 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.518 -8.281 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.528 -6.741 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.450 -8.231 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.193 -7.259 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.223 -5.839 0.227 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.422 -5.810 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.723 -6.019 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.009 -5.199 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.081 -4.758 -3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.648 -4.488 -2.900 1.00 0.00 H new ATOM 968 N ARG A 59 -1.776 -10.713 1.177 1.00 0.00 N ATOM 969 CA ARG A 59 -1.360 -12.066 0.829 1.00 0.00 C ATOM 970 C ARG A 59 -1.980 -13.086 1.780 1.00 0.00 C ATOM 971 O ARG A 59 -2.556 -14.085 1.347 1.00 0.00 O ATOM 972 CB ARG A 59 0.165 -12.180 0.865 1.00 0.00 C ATOM 973 CG ARG A 59 0.826 -11.932 -0.480 1.00 0.00 C ATOM 974 CD ARG A 59 2.332 -12.133 -0.406 1.00 0.00 C ATOM 975 NE ARG A 59 2.684 -13.404 0.221 1.00 0.00 N ATOM 976 CZ ARG A 59 2.496 -14.586 -0.355 1.00 0.00 C ATOM 977 NH1 ARG A 59 1.962 -14.658 -1.567 1.00 0.00 N ATOM 978 NH2 ARG A 59 2.842 -15.698 0.280 1.00 0.00 N ATOM 0 H ARG A 59 -1.091 -10.188 1.720 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.709 -12.278 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.557 -11.467 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.438 -13.175 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.404 -12.607 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.609 -10.917 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.753 -12.096 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.780 -11.314 0.158 1.00 0.00 H new ATOM 0 HE ARG A 59 3.097 -13.383 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.695 -13.805 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.818 -15.567 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.253 -15.646 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.697 -16.605 -0.164 1.00 0.00 H new ATOM 992 N VAL A 60 -1.857 -12.829 3.078 1.00 0.00 N ATOM 993 CA VAL A 60 -2.405 -13.723 4.090 1.00 0.00 C ATOM 994 C VAL A 60 -3.879 -14.011 3.829 1.00 0.00 C ATOM 995 O VAL A 60 -4.388 -15.075 4.184 1.00 0.00 O ATOM 996 CB VAL A 60 -2.251 -13.132 5.504 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.720 -14.129 6.554 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.809 -12.720 5.755 1.00 0.00 C ATOM 0 H VAL A 60 -1.382 -12.008 3.454 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.840 -14.653 4.030 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.877 -12.243 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.604 -13.694 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.769 -14.370 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.123 -15.038 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.719 -12.305 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.160 -13.591 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.513 -11.968 5.023 1.00 0.00 H new