USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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 46 LYS NZ :NH3+ -138:sc= 0.092 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= 0.121 K(o=0.21,f=-1.3) USER MOD Set 2.1: A 41 ASN : amide:sc= -0.0624 K(o=-0.31,f=-1.8!) USER MOD Set 2.2: A 44 GLN :FLIP amide:sc= -0.243 F(o=-1,f=-0.31) USER MOD Single : A 9 SER OG : rot 180:sc= -0.871 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 12 GLN : amide:sc= -0.665 K(o=-0.66,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -2.35! (180deg=-4.28!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.289 USER MOD Single : A 32 GLN : amide:sc= -0.635 K(o=-0.63,f=-3.1!) USER MOD Single : A 33 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.8!) USER MOD Single : A 35 SER OG : rot -85:sc= -0.644 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.734 -6.166 3.378 1.00 0.00 N ATOM 176 CA SER A 9 -9.673 -7.109 2.781 1.00 0.00 C ATOM 177 C SER A 9 -9.283 -7.420 1.342 1.00 0.00 C ATOM 178 O SER A 9 -8.636 -6.612 0.679 1.00 0.00 O ATOM 179 CB SER A 9 -11.093 -6.538 2.817 1.00 0.00 C ATOM 180 OG SER A 9 -11.361 -5.763 1.659 1.00 0.00 O ATOM 0 HA SER A 9 -9.642 -8.032 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.814 -7.352 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.218 -5.922 3.708 1.00 0.00 H new ATOM 0 HG SER A 9 -12.274 -5.411 1.705 1.00 0.00 H new ATOM 186 N SER A 10 -9.688 -8.590 0.858 1.00 0.00 N ATOM 187 CA SER A 10 -9.383 -8.988 -0.511 1.00 0.00 C ATOM 188 C SER A 10 -9.836 -7.911 -1.491 1.00 0.00 C ATOM 189 O SER A 10 -9.169 -7.648 -2.492 1.00 0.00 O ATOM 190 CB SER A 10 -10.053 -10.321 -0.845 1.00 0.00 C ATOM 191 OG SER A 10 -9.928 -11.239 0.228 1.00 0.00 O ATOM 0 H SER A 10 -10.225 -9.275 1.390 1.00 0.00 H new ATOM 0 HA SER A 10 -8.304 -9.111 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.108 -10.156 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.602 -10.743 -1.743 1.00 0.00 H new ATOM 0 HG SER A 10 -10.366 -12.083 -0.010 1.00 0.00 H new ATOM 197 N GLU A 11 -10.967 -7.280 -1.187 1.00 0.00 N ATOM 198 CA GLU A 11 -11.500 -6.219 -2.031 1.00 0.00 C ATOM 199 C GLU A 11 -10.519 -5.055 -2.087 1.00 0.00 C ATOM 200 O GLU A 11 -10.178 -4.563 -3.164 1.00 0.00 O ATOM 201 CB GLU A 11 -12.854 -5.741 -1.503 1.00 0.00 C ATOM 202 CG GLU A 11 -13.867 -5.451 -2.598 1.00 0.00 C ATOM 203 CD GLU A 11 -15.244 -6.004 -2.283 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.914 -5.454 -1.384 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.650 -6.989 -2.935 1.00 0.00 O ATOM 0 H GLU A 11 -11.531 -7.486 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.642 -6.614 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.262 -6.499 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.705 -4.839 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.938 -4.373 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.514 -5.879 -3.536 1.00 0.00 H new ATOM 212 N GLN A 12 -10.049 -4.635 -0.915 1.00 0.00 N ATOM 213 CA GLN A 12 -9.088 -3.543 -0.833 1.00 0.00 C ATOM 214 C GLN A 12 -7.764 -3.974 -1.451 1.00 0.00 C ATOM 215 O GLN A 12 -7.040 -3.166 -2.033 1.00 0.00 O ATOM 216 CB GLN A 12 -8.873 -3.125 0.623 1.00 0.00 C ATOM 217 CG GLN A 12 -10.165 -2.840 1.373 1.00 0.00 C ATOM 218 CD GLN A 12 -9.945 -2.659 2.862 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.133 -3.356 3.470 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.671 -1.721 3.457 1.00 0.00 N ATOM 0 H GLN A 12 -10.317 -5.033 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.482 -2.689 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.328 -3.914 1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.245 -2.235 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.627 -1.941 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.864 -3.660 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.332 -1.167 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.568 -1.554 4.458 1.00 0.00 H new ATOM 229 N LEU A 13 -7.466 -5.263 -1.327 1.00 0.00 N ATOM 230 CA LEU A 13 -6.242 -5.827 -1.879 1.00 0.00 C ATOM 231 C LEU A 13 -6.246 -5.706 -3.398 1.00 0.00 C ATOM 232 O LEU A 13 -5.252 -5.304 -4.004 1.00 0.00 O ATOM 233 CB LEU A 13 -6.115 -7.298 -1.470 1.00 0.00 C ATOM 234 CG LEU A 13 -5.281 -7.567 -0.213 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.798 -7.478 -0.529 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.649 -6.599 0.906 1.00 0.00 C ATOM 0 H LEU A 13 -8.060 -5.939 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.389 -5.274 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.116 -7.700 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.676 -7.851 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.503 -8.578 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.221 -7.672 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.543 -8.218 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.565 -6.481 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.042 -6.812 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.465 -5.576 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.704 -6.715 1.156 1.00 0.00 H new ATOM 248 N ALA A 14 -7.379 -6.050 -4.005 1.00 0.00 N ATOM 249 CA ALA A 14 -7.526 -5.975 -5.452 1.00 0.00 C ATOM 250 C ALA A 14 -7.396 -4.535 -5.931 1.00 0.00 C ATOM 251 O ALA A 14 -6.665 -4.248 -6.879 1.00 0.00 O ATOM 252 CB ALA A 14 -8.866 -6.555 -5.878 1.00 0.00 C ATOM 0 H ALA A 14 -8.209 -6.384 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.730 -6.562 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.962 -6.492 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.926 -7.598 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.672 -5.991 -5.409 1.00 0.00 H new ATOM 258 N ARG A 15 -8.105 -3.631 -5.263 1.00 0.00 N ATOM 259 CA ARG A 15 -8.060 -2.218 -5.616 1.00 0.00 C ATOM 260 C ARG A 15 -6.646 -1.674 -5.438 1.00 0.00 C ATOM 261 O ARG A 15 -6.112 -0.995 -6.317 1.00 0.00 O ATOM 262 CB ARG A 15 -9.046 -1.422 -4.755 1.00 0.00 C ATOM 263 CG ARG A 15 -10.103 -0.687 -5.563 1.00 0.00 C ATOM 264 CD ARG A 15 -9.623 0.692 -5.989 1.00 0.00 C ATOM 265 NE ARG A 15 -10.416 1.760 -5.382 1.00 0.00 N ATOM 266 CZ ARG A 15 -11.224 2.574 -6.061 1.00 0.00 C ATOM 267 NH1 ARG A 15 -11.367 2.446 -7.375 1.00 0.00 N ATOM 268 NH2 ARG A 15 -11.896 3.520 -5.421 1.00 0.00 N ATOM 0 H ARG A 15 -8.716 -3.851 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.347 -2.112 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.539 -2.101 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.491 -0.700 -4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.359 -1.273 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.012 -0.589 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.577 0.814 -5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.675 0.774 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.346 1.891 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.856 1.719 -7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.988 3.075 -7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.794 3.624 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.515 4.144 -5.938 1.00 0.00 H new ATOM 282 N LEU A 16 -6.041 -1.990 -4.297 1.00 0.00 N ATOM 283 CA LEU A 16 -4.686 -1.547 -4.003 1.00 0.00 C ATOM 284 C LEU A 16 -3.715 -2.082 -5.051 1.00 0.00 C ATOM 285 O LEU A 16 -2.857 -1.354 -5.549 1.00 0.00 O ATOM 286 CB LEU A 16 -4.264 -2.019 -2.609 1.00 0.00 C ATOM 287 CG LEU A 16 -4.642 -1.079 -1.465 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.823 -1.859 -0.172 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.585 0.002 -1.293 1.00 0.00 C ATOM 0 H LEU A 16 -6.470 -2.552 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.665 -0.457 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.713 -2.994 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.183 -2.159 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.589 -0.599 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.092 -1.174 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.615 -2.597 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.892 -2.366 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.870 0.663 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.624 -0.461 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.502 0.580 -2.213 1.00 0.00 H new ATOM 301 N LYS A 17 -3.865 -3.360 -5.385 1.00 0.00 N ATOM 302 CA LYS A 17 -3.012 -3.997 -6.380 1.00 0.00 C ATOM 303 C LYS A 17 -3.195 -3.336 -7.742 1.00 0.00 C ATOM 304 O LYS A 17 -2.249 -3.224 -8.522 1.00 0.00 O ATOM 305 CB LYS A 17 -3.329 -5.491 -6.476 1.00 0.00 C ATOM 306 CG LYS A 17 -2.337 -6.373 -5.733 1.00 0.00 C ATOM 307 CD LYS A 17 -2.864 -7.790 -5.569 1.00 0.00 C ATOM 308 CE LYS A 17 -3.674 -7.941 -4.291 1.00 0.00 C ATOM 309 NZ LYS A 17 -3.033 -8.888 -3.338 1.00 0.00 N ATOM 0 H LYS A 17 -4.571 -3.975 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.974 -3.877 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.328 -5.668 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.347 -5.783 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.392 -6.396 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.131 -5.944 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.485 -8.050 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.029 -8.490 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.786 -6.967 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.676 -8.294 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.761 -9.317 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.541 -9.635 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.348 -8.375 -2.746 1.00 0.00 H new ATOM 323 N ARG A 18 -4.418 -2.896 -8.019 1.00 0.00 N ATOM 324 CA ARG A 18 -4.728 -2.241 -9.283 1.00 0.00 C ATOM 325 C ARG A 18 -3.948 -0.938 -9.412 1.00 0.00 C ATOM 326 O ARG A 18 -3.310 -0.682 -10.433 1.00 0.00 O ATOM 327 CB ARG A 18 -6.229 -1.965 -9.387 1.00 0.00 C ATOM 328 CG ARG A 18 -7.028 -3.142 -9.921 1.00 0.00 C ATOM 329 CD ARG A 18 -8.390 -2.704 -10.435 1.00 0.00 C ATOM 330 NE ARG A 18 -8.768 -3.413 -11.655 1.00 0.00 N ATOM 331 CZ ARG A 18 -8.196 -3.209 -12.839 1.00 0.00 C ATOM 332 NH1 ARG A 18 -7.221 -2.317 -12.968 1.00 0.00 N ATOM 333 NH2 ARG A 18 -8.600 -3.897 -13.899 1.00 0.00 N ATOM 0 H ARG A 18 -5.211 -2.982 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.436 -2.907 -10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.610 -1.695 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.388 -1.104 -10.037 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.473 -3.625 -10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.157 -3.883 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.142 -2.880 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.377 -1.631 -10.628 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.515 -4.105 -11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.907 -1.784 -12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.786 -2.165 -13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.349 -4.583 -13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.161 -3.740 -14.806 1.00 0.00 H new ATOM 347 N GLU A 19 -4.001 -0.120 -8.367 1.00 0.00 N ATOM 348 CA GLU A 19 -3.294 1.156 -8.360 1.00 0.00 C ATOM 349 C GLU A 19 -1.786 0.931 -8.389 1.00 0.00 C ATOM 350 O GLU A 19 -1.046 1.688 -9.017 1.00 0.00 O ATOM 351 CB GLU A 19 -3.681 1.971 -7.122 1.00 0.00 C ATOM 352 CG GLU A 19 -4.551 3.177 -7.437 1.00 0.00 C ATOM 353 CD GLU A 19 -5.550 3.477 -6.337 1.00 0.00 C ATOM 354 OE1 GLU A 19 -6.132 2.520 -5.785 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.749 4.671 -6.026 1.00 0.00 O ATOM 0 H GLU A 19 -4.525 -0.317 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.580 1.713 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.210 1.324 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.774 2.308 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.915 4.048 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.086 3.001 -8.370 1.00 0.00 H new ATOM 362 N PHE A 20 -1.339 -0.118 -7.706 1.00 0.00 N ATOM 363 CA PHE A 20 0.079 -0.451 -7.651 1.00 0.00 C ATOM 364 C PHE A 20 0.597 -0.848 -9.031 1.00 0.00 C ATOM 365 O PHE A 20 1.737 -0.548 -9.386 1.00 0.00 O ATOM 366 CB PHE A 20 0.314 -1.590 -6.656 1.00 0.00 C ATOM 367 CG PHE A 20 1.751 -2.015 -6.552 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.287 -2.916 -7.459 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.566 -1.516 -5.549 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.608 -3.310 -7.367 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.888 -1.906 -5.452 1.00 0.00 C ATOM 372 CZ PHE A 20 4.410 -2.804 -6.362 1.00 0.00 C ATOM 0 H PHE A 20 -1.941 -0.753 -7.182 1.00 0.00 H new ATOM 0 HA PHE A 20 0.625 0.432 -7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.036 -1.278 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.289 -2.449 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.665 -3.315 -8.247 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.163 -0.814 -4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.013 -4.013 -8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.512 -1.509 -4.665 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.443 -3.110 -6.288 1.00 0.00 H new ATOM 382 N ASN A 21 -0.248 -1.525 -9.801 1.00 0.00 N ATOM 383 CA ASN A 21 0.123 -1.966 -11.140 1.00 0.00 C ATOM 384 C ASN A 21 0.313 -0.776 -12.077 1.00 0.00 C ATOM 385 O ASN A 21 1.095 -0.839 -13.026 1.00 0.00 O ATOM 386 CB ASN A 21 -0.944 -2.910 -11.701 1.00 0.00 C ATOM 387 CG ASN A 21 -0.371 -4.252 -12.111 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.089 -4.425 -13.240 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.396 -5.213 -11.193 1.00 0.00 N ATOM 0 H ASN A 21 -1.195 -1.780 -9.520 1.00 0.00 H new ATOM 0 HA ASN A 21 1.071 -2.500 -11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.720 -3.063 -10.951 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.421 -2.443 -12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.025 -6.137 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.787 -5.026 -10.269 1.00 0.00 H new ATOM 396 N GLU A 22 -0.409 0.308 -11.806 1.00 0.00 N ATOM 397 CA GLU A 22 -0.320 1.510 -12.627 1.00 0.00 C ATOM 398 C GLU A 22 0.870 2.368 -12.211 1.00 0.00 C ATOM 399 O GLU A 22 1.522 2.990 -13.049 1.00 0.00 O ATOM 400 CB GLU A 22 -1.612 2.321 -12.522 1.00 0.00 C ATOM 401 CG GLU A 22 -2.871 1.479 -12.654 1.00 0.00 C ATOM 402 CD GLU A 22 -3.678 1.823 -13.891 1.00 0.00 C ATOM 403 OE1 GLU A 22 -3.125 1.724 -15.007 1.00 0.00 O ATOM 404 OE2 GLU A 22 -4.863 2.191 -13.745 1.00 0.00 O ATOM 0 H GLU A 22 -1.061 0.378 -11.025 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.176 1.202 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.630 2.838 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.614 3.087 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.596 0.425 -12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.492 1.620 -11.769 1.00 0.00 H new ATOM 411 N ASN A 23 1.147 2.397 -10.912 1.00 0.00 N ATOM 412 CA ASN A 23 2.260 3.180 -10.385 1.00 0.00 C ATOM 413 C ASN A 23 2.635 2.717 -8.982 1.00 0.00 C ATOM 414 O ASN A 23 1.781 2.612 -8.103 1.00 0.00 O ATOM 415 CB ASN A 23 1.899 4.666 -10.363 1.00 0.00 C ATOM 416 CG ASN A 23 0.629 4.941 -9.581 1.00 0.00 C ATOM 417 OD1 ASN A 23 -0.143 4.027 -9.287 1.00 0.00 O ATOM 418 ND2 ASN A 23 0.406 6.204 -9.239 1.00 0.00 N ATOM 0 H ASN A 23 0.617 1.888 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 23 3.119 3.030 -11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.722 5.231 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.777 5.023 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.432 6.449 -8.712 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.073 6.929 -9.504 1.00 0.00 H new ATOM 425 N ARG A 24 3.920 2.441 -8.779 1.00 0.00 N ATOM 426 CA ARG A 24 4.412 1.989 -7.482 1.00 0.00 C ATOM 427 C ARG A 24 4.437 3.131 -6.463 1.00 0.00 C ATOM 428 O ARG A 24 4.707 2.911 -5.282 1.00 0.00 O ATOM 429 CB ARG A 24 5.811 1.386 -7.628 1.00 0.00 C ATOM 430 CG ARG A 24 5.830 -0.133 -7.529 1.00 0.00 C ATOM 431 CD ARG A 24 6.416 -0.771 -8.780 1.00 0.00 C ATOM 432 NE ARG A 24 7.784 -1.239 -8.567 1.00 0.00 N ATOM 433 CZ ARG A 24 8.535 -1.791 -9.518 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.057 -1.944 -10.746 1.00 0.00 N ATOM 435 NH2 ARG A 24 9.768 -2.191 -9.238 1.00 0.00 N ATOM 0 H ARG A 24 4.640 2.523 -9.497 1.00 0.00 H new ATOM 0 HA ARG A 24 3.727 1.225 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.228 1.685 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.459 1.801 -6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.414 -0.434 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.816 -0.500 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.790 -1.609 -9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.403 -0.048 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 24 8.187 -1.137 -7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.109 -1.638 -10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.637 -2.368 -11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.140 -2.076 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.344 -2.614 -9.965 1.00 0.00 H new ATOM 449 N TYR A 25 4.156 4.349 -6.922 1.00 0.00 N ATOM 450 CA TYR A 25 4.148 5.513 -6.043 1.00 0.00 C ATOM 451 C TYR A 25 2.723 5.885 -5.654 1.00 0.00 C ATOM 452 O TYR A 25 1.764 5.246 -6.087 1.00 0.00 O ATOM 453 CB TYR A 25 4.825 6.702 -6.729 1.00 0.00 C ATOM 454 CG TYR A 25 6.151 6.360 -7.373 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.203 5.641 -8.562 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.348 6.755 -6.792 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.412 5.327 -9.152 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.562 6.444 -7.377 1.00 0.00 C ATOM 459 CZ TYR A 25 8.588 5.730 -8.556 1.00 0.00 C ATOM 460 OH TYR A 25 9.794 5.419 -9.141 1.00 0.00 O ATOM 0 H TYR A 25 3.931 4.554 -7.896 1.00 0.00 H new ATOM 0 HA TYR A 25 4.702 5.260 -5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.154 7.101 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.981 7.493 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.284 5.323 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.331 7.314 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.436 4.768 -10.076 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.485 6.759 -6.913 1.00 0.00 H new ATOM 0 HH TYR A 25 10.525 5.777 -8.595 1.00 0.00 H new ATOM 470 N LEU A 26 2.586 6.924 -4.836 1.00 0.00 N ATOM 471 CA LEU A 26 1.271 7.376 -4.397 1.00 0.00 C ATOM 472 C LEU A 26 1.213 8.899 -4.312 1.00 0.00 C ATOM 473 O LEU A 26 2.163 9.593 -4.671 1.00 0.00 O ATOM 474 CB LEU A 26 0.922 6.773 -3.030 1.00 0.00 C ATOM 475 CG LEU A 26 0.093 5.483 -3.052 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.379 5.140 -1.646 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.105 5.604 -3.985 1.00 0.00 C ATOM 0 H LEU A 26 3.366 7.467 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 26 0.543 7.039 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.851 6.574 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.377 7.521 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 26 0.732 4.683 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.967 4.222 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.485 4.999 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.994 5.953 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.669 4.672 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.746 6.420 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.758 5.808 -4.998 1.00 0.00 H new ATOM 489 N THR A 27 0.085 9.400 -3.825 1.00 0.00 N ATOM 490 CA THR A 27 -0.130 10.834 -3.670 1.00 0.00 C ATOM 491 C THR A 27 -1.157 11.083 -2.576 1.00 0.00 C ATOM 492 O THR A 27 -1.846 10.160 -2.148 1.00 0.00 O ATOM 493 CB THR A 27 -0.616 11.454 -4.985 1.00 0.00 C ATOM 494 OG1 THR A 27 -2.018 11.289 -5.128 1.00 0.00 O ATOM 495 CG2 THR A 27 0.046 10.865 -6.214 1.00 0.00 C ATOM 0 H THR A 27 -0.704 8.827 -3.527 1.00 0.00 H new ATOM 0 HA THR A 27 0.817 11.299 -3.396 1.00 0.00 H new ATOM 0 HB THR A 27 -0.345 12.508 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.310 11.692 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.346 11.351 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.123 11.023 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.162 9.796 -6.262 1.00 0.00 H new ATOM 503 N GLU A 28 -1.270 12.326 -2.125 1.00 0.00 N ATOM 504 CA GLU A 28 -2.236 12.660 -1.084 1.00 0.00 C ATOM 505 C GLU A 28 -3.641 12.247 -1.512 1.00 0.00 C ATOM 506 O GLU A 28 -4.352 11.560 -0.778 1.00 0.00 O ATOM 507 CB GLU A 28 -2.200 14.158 -0.777 1.00 0.00 C ATOM 508 CG GLU A 28 -3.023 14.549 0.441 1.00 0.00 C ATOM 509 CD GLU A 28 -3.119 16.051 0.623 1.00 0.00 C ATOM 510 OE1 GLU A 28 -2.107 16.744 0.382 1.00 0.00 O ATOM 511 OE2 GLU A 28 -4.204 16.534 1.007 1.00 0.00 O ATOM 0 H GLU A 28 -0.712 13.112 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.968 12.113 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.166 14.464 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.566 14.707 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.026 14.134 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.578 14.107 1.332 1.00 0.00 H new ATOM 518 N ARG A 29 -4.028 12.668 -2.712 1.00 0.00 N ATOM 519 CA ARG A 29 -5.342 12.346 -3.255 1.00 0.00 C ATOM 520 C ARG A 29 -5.530 10.837 -3.390 1.00 0.00 C ATOM 521 O ARG A 29 -6.630 10.322 -3.196 1.00 0.00 O ATOM 522 CB ARG A 29 -5.531 13.021 -4.614 1.00 0.00 C ATOM 523 CG ARG A 29 -5.299 14.523 -4.584 1.00 0.00 C ATOM 524 CD ARG A 29 -6.446 15.252 -3.901 1.00 0.00 C ATOM 525 NE ARG A 29 -6.354 15.177 -2.444 1.00 0.00 N ATOM 526 CZ ARG A 29 -7.133 15.870 -1.616 1.00 0.00 C ATOM 527 NH1 ARG A 29 -8.054 16.696 -2.096 1.00 0.00 N ATOM 528 NH2 ARG A 29 -6.988 15.738 -0.305 1.00 0.00 N ATOM 0 H ARG A 29 -3.447 13.235 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.094 12.721 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.847 12.570 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.542 12.825 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.367 14.738 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.185 14.895 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.447 16.297 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.393 14.823 -4.227 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.652 14.558 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.168 16.803 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.648 17.224 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.280 15.106 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.584 16.269 0.330 1.00 0.00 H new ATOM 542 N ARG A 30 -4.456 10.131 -3.729 1.00 0.00 N ATOM 543 CA ARG A 30 -4.521 8.681 -3.893 1.00 0.00 C ATOM 544 C ARG A 30 -4.667 7.984 -2.543 1.00 0.00 C ATOM 545 O ARG A 30 -5.509 7.102 -2.377 1.00 0.00 O ATOM 546 CB ARG A 30 -3.273 8.167 -4.613 1.00 0.00 C ATOM 547 CG ARG A 30 -3.342 8.305 -6.126 1.00 0.00 C ATOM 548 CD ARG A 30 -3.582 6.963 -6.801 1.00 0.00 C ATOM 549 NE ARG A 30 -4.085 7.117 -8.163 1.00 0.00 N ATOM 550 CZ ARG A 30 -5.290 7.598 -8.460 1.00 0.00 C ATOM 551 NH1 ARG A 30 -6.115 7.981 -7.493 1.00 0.00 N ATOM 552 NH2 ARG A 30 -5.671 7.700 -9.725 1.00 0.00 N ATOM 0 H ARG A 30 -3.534 10.536 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.399 8.451 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.402 8.711 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.124 7.118 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.142 8.995 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.412 8.737 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.652 6.396 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.296 6.385 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.476 6.839 -8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.826 7.907 -6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.037 8.349 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.041 7.410 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.595 8.069 -9.951 1.00 0.00 H new ATOM 566 N ARG A 31 -3.842 8.387 -1.582 1.00 0.00 N ATOM 567 CA ARG A 31 -3.880 7.803 -0.248 1.00 0.00 C ATOM 568 C ARG A 31 -5.208 8.104 0.435 1.00 0.00 C ATOM 569 O ARG A 31 -5.805 7.233 1.068 1.00 0.00 O ATOM 570 CB ARG A 31 -2.721 8.333 0.598 1.00 0.00 C ATOM 571 CG ARG A 31 -2.052 7.264 1.446 1.00 0.00 C ATOM 572 CD ARG A 31 -0.570 7.547 1.637 1.00 0.00 C ATOM 573 NE ARG A 31 -0.281 8.070 2.971 1.00 0.00 N ATOM 574 CZ ARG A 31 -0.179 9.366 3.261 1.00 0.00 C ATOM 575 NH1 ARG A 31 -0.362 10.285 2.322 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.101 9.744 4.502 1.00 0.00 N ATOM 0 H ARG A 31 -3.139 9.116 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.779 6.722 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.977 8.782 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.090 9.125 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.541 7.211 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.179 6.291 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.002 6.631 1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.238 8.264 0.886 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.149 7.400 3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.583 10.002 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.282 11.275 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.237 9.043 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.180 10.736 4.728 1.00 0.00 H new ATOM 590 N GLN A 32 -5.668 9.344 0.301 1.00 0.00 N ATOM 591 CA GLN A 32 -6.927 9.757 0.904 1.00 0.00 C ATOM 592 C GLN A 32 -8.099 9.037 0.242 1.00 0.00 C ATOM 593 O GLN A 32 -9.079 8.693 0.902 1.00 0.00 O ATOM 594 CB GLN A 32 -7.100 11.275 0.802 1.00 0.00 C ATOM 595 CG GLN A 32 -7.321 11.774 -0.615 1.00 0.00 C ATOM 596 CD GLN A 32 -8.790 11.882 -0.974 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.664 11.676 -0.131 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.068 12.205 -2.232 1.00 0.00 N ATOM 0 H GLN A 32 -5.187 10.078 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.909 9.485 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.946 11.577 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.215 11.760 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.850 12.750 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.829 11.099 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.311 12.367 -2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.038 12.291 -2.534 1.00 0.00 H new ATOM 607 N GLN A 33 -7.988 8.800 -1.065 1.00 0.00 N ATOM 608 CA GLN A 33 -9.039 8.108 -1.803 1.00 0.00 C ATOM 609 C GLN A 33 -9.147 6.656 -1.350 1.00 0.00 C ATOM 610 O GLN A 33 -10.241 6.156 -1.089 1.00 0.00 O ATOM 611 CB GLN A 33 -8.767 8.158 -3.309 1.00 0.00 C ATOM 612 CG GLN A 33 -9.831 8.906 -4.096 1.00 0.00 C ATOM 613 CD GLN A 33 -10.769 7.973 -4.837 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.497 6.781 -4.975 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.881 8.514 -5.319 1.00 0.00 N ATOM 0 H GLN A 33 -7.185 9.076 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.982 8.615 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.801 8.632 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.694 7.140 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.409 9.532 -3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.348 9.573 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.066 9.508 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.550 7.936 -5.827 1.00 0.00 H new ATOM 624 N LEU A 34 -8.003 5.984 -1.263 1.00 0.00 N ATOM 625 CA LEU A 34 -7.970 4.588 -0.846 1.00 0.00 C ATOM 626 C LEU A 34 -8.412 4.440 0.606 1.00 0.00 C ATOM 627 O LEU A 34 -9.170 3.532 0.945 1.00 0.00 O ATOM 628 CB LEU A 34 -6.563 4.019 -1.031 1.00 0.00 C ATOM 629 CG LEU A 34 -6.215 3.614 -2.468 1.00 0.00 C ATOM 630 CD1 LEU A 34 -5.026 4.415 -2.981 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.932 2.122 -2.550 1.00 0.00 C ATOM 0 H LEU A 34 -7.089 6.383 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.666 4.028 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.839 4.761 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.452 3.147 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.073 3.835 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.796 4.111 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.269 5.478 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.161 4.230 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.687 1.854 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.092 1.875 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.814 1.566 -2.231 1.00 0.00 H new ATOM 643 N SER A 35 -7.935 5.338 1.463 1.00 0.00 N ATOM 644 CA SER A 35 -8.286 5.305 2.878 1.00 0.00 C ATOM 645 C SER A 35 -9.790 5.463 3.067 1.00 0.00 C ATOM 646 O SER A 35 -10.412 4.721 3.822 1.00 0.00 O ATOM 647 CB SER A 35 -7.545 6.407 3.636 1.00 0.00 C ATOM 648 OG SER A 35 -7.644 7.648 2.958 1.00 0.00 O ATOM 0 H SER A 35 -7.305 6.097 1.202 1.00 0.00 H new ATOM 0 HA SER A 35 -7.987 4.337 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.959 6.504 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.496 6.133 3.748 1.00 0.00 H new ATOM 0 HG SER A 35 -6.938 7.708 2.281 1.00 0.00 H new ATOM 654 N SER A 36 -10.361 6.444 2.380 1.00 0.00 N ATOM 655 CA SER A 36 -11.793 6.712 2.470 1.00 0.00 C ATOM 656 C SER A 36 -12.615 5.624 1.781 1.00 0.00 C ATOM 657 O SER A 36 -13.565 5.092 2.355 1.00 0.00 O ATOM 658 CB SER A 36 -12.116 8.074 1.851 1.00 0.00 C ATOM 659 OG SER A 36 -13.381 8.543 2.280 1.00 0.00 O ATOM 0 H SER A 36 -9.855 7.069 1.753 1.00 0.00 H new ATOM 0 HA SER A 36 -12.060 6.719 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.345 8.794 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.104 7.995 0.764 1.00 0.00 H new ATOM 0 HG SER A 36 -13.562 9.415 1.872 1.00 0.00 H new ATOM 665 N GLU A 37 -12.255 5.317 0.537 1.00 0.00 N ATOM 666 CA GLU A 37 -12.969 4.312 -0.249 1.00 0.00 C ATOM 667 C GLU A 37 -12.872 2.920 0.370 1.00 0.00 C ATOM 668 O GLU A 37 -13.858 2.184 0.414 1.00 0.00 O ATOM 669 CB GLU A 37 -12.423 4.279 -1.677 1.00 0.00 C ATOM 670 CG GLU A 37 -12.890 5.445 -2.534 1.00 0.00 C ATOM 671 CD GLU A 37 -13.914 5.032 -3.573 1.00 0.00 C ATOM 672 OE1 GLU A 37 -14.850 4.283 -3.219 1.00 0.00 O ATOM 673 OE2 GLU A 37 -13.782 5.457 -4.740 1.00 0.00 O ATOM 0 H GLU A 37 -11.471 5.751 0.050 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.021 4.597 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.334 4.279 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.726 3.346 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.319 6.214 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.030 5.891 -3.034 1.00 0.00 H new ATOM 680 N LEU A 38 -11.683 2.556 0.835 1.00 0.00 N ATOM 681 CA LEU A 38 -11.471 1.240 1.432 1.00 0.00 C ATOM 682 C LEU A 38 -11.839 1.237 2.911 1.00 0.00 C ATOM 683 O LEU A 38 -12.485 0.309 3.398 1.00 0.00 O ATOM 684 CB LEU A 38 -10.012 0.812 1.260 1.00 0.00 C ATOM 685 CG LEU A 38 -9.479 0.890 -0.172 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.011 0.492 -0.213 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.302 0.006 -1.100 1.00 0.00 C ATOM 0 H LEU A 38 -10.854 3.149 0.811 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.120 0.531 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.388 1.438 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.905 -0.213 1.616 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.567 1.920 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.646 0.552 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.433 1.167 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.901 -0.529 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.907 0.075 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.248 -1.028 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.340 0.337 -1.092 1.00 0.00 H new ATOM 699 N GLY A 39 -11.422 2.276 3.620 1.00 0.00 N ATOM 700 CA GLY A 39 -11.710 2.374 5.037 1.00 0.00 C ATOM 701 C GLY A 39 -10.496 2.072 5.892 1.00 0.00 C ATOM 702 O GLY A 39 -10.600 1.390 6.912 1.00 0.00 O ATOM 0 H GLY A 39 -10.887 3.056 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.071 3.377 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.512 1.681 5.291 1.00 0.00 H new ATOM 706 N LEU A 40 -9.342 2.579 5.471 1.00 0.00 N ATOM 707 CA LEU A 40 -8.098 2.358 6.201 1.00 0.00 C ATOM 708 C LEU A 40 -7.377 3.677 6.461 1.00 0.00 C ATOM 709 O LEU A 40 -7.773 4.724 5.949 1.00 0.00 O ATOM 710 CB LEU A 40 -7.185 1.412 5.420 1.00 0.00 C ATOM 711 CG LEU A 40 -7.645 -0.046 5.376 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.041 -0.761 4.178 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.275 -0.759 6.667 1.00 0.00 C ATOM 0 H LEU A 40 -9.242 3.145 4.629 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.346 1.904 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.096 1.780 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.188 1.449 5.860 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.730 -0.062 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.380 -1.797 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.356 -0.264 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.954 -0.736 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.610 -1.795 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.193 -0.733 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.756 -0.261 7.509 1.00 0.00 H new ATOM 725 N ASN A 41 -6.317 3.617 7.259 1.00 0.00 N ATOM 726 CA ASN A 41 -5.538 4.806 7.588 1.00 0.00 C ATOM 727 C ASN A 41 -4.524 5.119 6.492 1.00 0.00 C ATOM 728 O ASN A 41 -3.906 4.216 5.925 1.00 0.00 O ATOM 729 CB ASN A 41 -4.817 4.614 8.924 1.00 0.00 C ATOM 730 CG ASN A 41 -4.365 5.928 9.528 1.00 0.00 C ATOM 731 OD1 ASN A 41 -4.926 6.985 9.238 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.343 5.870 10.374 1.00 0.00 N ATOM 0 H ASN A 41 -5.977 2.758 7.690 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.227 5.647 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.481 4.105 9.623 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.952 3.967 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.994 6.723 10.811 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.907 4.973 10.586 1.00 0.00 H new ATOM 739 N GLU A 42 -4.353 6.407 6.203 1.00 0.00 N ATOM 740 CA GLU A 42 -3.410 6.843 5.178 1.00 0.00 C ATOM 741 C GLU A 42 -2.028 6.243 5.421 1.00 0.00 C ATOM 742 O GLU A 42 -1.342 5.836 4.484 1.00 0.00 O ATOM 743 CB GLU A 42 -3.319 8.371 5.156 1.00 0.00 C ATOM 744 CG GLU A 42 -4.339 9.027 4.240 1.00 0.00 C ATOM 745 CD GLU A 42 -4.817 10.367 4.763 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.894 10.528 5.999 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.113 11.255 3.937 1.00 0.00 O ATOM 0 H GLU A 42 -4.855 7.166 6.664 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.774 6.494 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.456 8.750 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.318 8.663 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.900 9.163 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.194 8.362 4.120 1.00 0.00 H new ATOM 754 N ALA A 43 -1.629 6.189 6.688 1.00 0.00 N ATOM 755 CA ALA A 43 -0.333 5.635 7.058 1.00 0.00 C ATOM 756 C ALA A 43 -0.260 4.149 6.723 1.00 0.00 C ATOM 757 O ALA A 43 0.797 3.636 6.355 1.00 0.00 O ATOM 758 CB ALA A 43 -0.067 5.858 8.538 1.00 0.00 C ATOM 0 H ALA A 43 -2.185 6.522 7.475 1.00 0.00 H new ATOM 0 HA ALA A 43 0.435 6.151 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.905 5.439 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.071 6.927 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.844 5.368 9.125 1.00 0.00 H new ATOM 764 N GLN A 44 -1.392 3.463 6.847 1.00 0.00 N ATOM 765 CA GLN A 44 -1.451 2.036 6.553 1.00 0.00 C ATOM 766 C GLN A 44 -1.287 1.795 5.059 1.00 0.00 C ATOM 767 O GLN A 44 -0.603 0.860 4.640 1.00 0.00 O ATOM 768 CB GLN A 44 -2.777 1.446 7.041 1.00 0.00 C ATOM 769 CG GLN A 44 -2.648 0.628 8.315 1.00 0.00 C ATOM 770 CD GLN A 44 -3.051 1.408 9.551 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.343 2.498 9.820 1.00 0.00 O flip ATOM 772 NE2 GLN A 44 -3.990 1.035 10.255 1.00 0.00 N flip ATOM 0 H GLN A 44 -2.277 3.870 7.148 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.634 1.541 7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.485 2.257 7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.195 0.816 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.269 -0.264 8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.617 0.290 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.507 0.190 10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.251 1.571 11.083 1.00 0.00 H new ATOM 781 N ILE A 45 -1.905 2.654 4.258 1.00 0.00 N ATOM 782 CA ILE A 45 -1.814 2.541 2.810 1.00 0.00 C ATOM 783 C ILE A 45 -0.388 2.813 2.347 1.00 0.00 C ATOM 784 O ILE A 45 0.149 2.098 1.500 1.00 0.00 O ATOM 785 CB ILE A 45 -2.771 3.519 2.104 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.186 3.367 2.661 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.759 3.281 0.601 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.149 4.416 2.153 1.00 0.00 C ATOM 0 H ILE A 45 -2.473 3.435 4.587 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.101 1.524 2.544 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.432 4.538 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.566 2.379 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.147 3.417 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.441 3.980 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.750 3.432 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.078 2.260 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.134 4.247 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.791 5.406 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.217 4.352 1.067 1.00 0.00 H new ATOM 800 N LYS A 46 0.224 3.847 2.916 1.00 0.00 N ATOM 801 CA LYS A 46 1.593 4.208 2.572 1.00 0.00 C ATOM 802 C LYS A 46 2.535 3.045 2.849 1.00 0.00 C ATOM 803 O LYS A 46 3.382 2.707 2.023 1.00 0.00 O ATOM 804 CB LYS A 46 2.037 5.439 3.365 1.00 0.00 C ATOM 805 CG LYS A 46 2.928 6.384 2.573 1.00 0.00 C ATOM 806 CD LYS A 46 4.324 6.472 3.172 1.00 0.00 C ATOM 807 CE LYS A 46 5.024 7.762 2.773 1.00 0.00 C ATOM 808 NZ LYS A 46 6.362 7.507 2.169 1.00 0.00 N ATOM 0 H LYS A 46 -0.207 4.449 3.617 1.00 0.00 H new ATOM 0 HA LYS A 46 1.628 4.444 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.154 5.982 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.570 5.113 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.996 6.041 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.478 7.376 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.259 6.414 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.917 5.619 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.403 8.306 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.138 8.399 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.046 8.199 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.676 6.546 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.299 7.598 1.135 1.00 0.00 H new ATOM 822 N ILE A 47 2.378 2.430 4.018 1.00 0.00 N ATOM 823 CA ILE A 47 3.211 1.298 4.400 1.00 0.00 C ATOM 824 C ILE A 47 3.009 0.129 3.440 1.00 0.00 C ATOM 825 O ILE A 47 3.965 -0.547 3.066 1.00 0.00 O ATOM 826 CB ILE A 47 2.913 0.832 5.840 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.142 1.977 6.828 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.781 -0.365 6.206 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.333 1.849 8.100 1.00 0.00 C ATOM 0 H ILE A 47 1.683 2.697 4.715 1.00 0.00 H new ATOM 0 HA ILE A 47 4.247 1.634 4.351 1.00 0.00 H new ATOM 0 HB ILE A 47 1.867 0.529 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.201 2.019 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.893 2.920 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.556 -0.679 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.576 -1.187 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.833 -0.087 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.546 2.695 8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.271 1.837 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.599 0.922 8.609 1.00 0.00 H new ATOM 841 N TRP A 48 1.761 -0.101 3.042 1.00 0.00 N ATOM 842 CA TRP A 48 1.446 -1.191 2.124 1.00 0.00 C ATOM 843 C TRP A 48 2.172 -1.007 0.797 1.00 0.00 C ATOM 844 O TRP A 48 2.739 -1.954 0.256 1.00 0.00 O ATOM 845 CB TRP A 48 -0.063 -1.276 1.884 1.00 0.00 C ATOM 846 CG TRP A 48 -0.448 -2.344 0.901 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.786 -3.636 1.186 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.525 -2.212 -0.524 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.073 -4.314 0.026 1.00 0.00 N ATOM 850 CE2 TRP A 48 -0.920 -3.463 -1.037 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.302 -1.158 -1.418 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.094 -3.689 -2.400 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.475 -1.385 -2.771 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.868 -2.641 -3.250 1.00 0.00 C ATOM 0 H TRP A 48 0.955 0.450 3.339 1.00 0.00 H new ATOM 0 HA TRP A 48 1.783 -2.122 2.581 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.565 -1.467 2.833 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.421 -0.312 1.522 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.822 -4.062 2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.354 -5.293 -0.034 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.000 -0.186 -1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.396 -4.657 -2.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.304 -0.580 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.995 -2.785 -4.313 1.00 0.00 H new ATOM 865 N PHE A 49 2.154 0.216 0.279 1.00 0.00 N ATOM 866 CA PHE A 49 2.813 0.513 -0.986 1.00 0.00 C ATOM 867 C PHE A 49 4.319 0.309 -0.864 1.00 0.00 C ATOM 868 O PHE A 49 4.939 -0.337 -1.709 1.00 0.00 O ATOM 869 CB PHE A 49 2.509 1.951 -1.418 1.00 0.00 C ATOM 870 CG PHE A 49 1.574 2.039 -2.592 1.00 0.00 C ATOM 871 CD1 PHE A 49 2.063 1.998 -3.888 1.00 0.00 C ATOM 872 CD2 PHE A 49 0.207 2.164 -2.400 1.00 0.00 C ATOM 873 CE1 PHE A 49 1.207 2.080 -4.969 1.00 0.00 C ATOM 874 CE2 PHE A 49 -0.654 2.245 -3.477 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.153 2.203 -4.763 1.00 0.00 C ATOM 0 H PHE A 49 1.692 1.015 0.714 1.00 0.00 H new ATOM 0 HA PHE A 49 2.430 -0.170 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.075 2.491 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.444 2.452 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.126 1.901 -4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.190 2.198 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.601 2.048 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.717 2.341 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.824 2.266 -5.607 1.00 0.00 H new ATOM 885 N GLN A 50 4.901 0.860 0.196 1.00 0.00 N ATOM 886 CA GLN A 50 6.334 0.734 0.432 1.00 0.00 C ATOM 887 C GLN A 50 6.726 -0.725 0.654 1.00 0.00 C ATOM 888 O GLN A 50 7.744 -1.187 0.139 1.00 0.00 O ATOM 889 CB GLN A 50 6.748 1.581 1.639 1.00 0.00 C ATOM 890 CG GLN A 50 7.645 2.754 1.278 1.00 0.00 C ATOM 891 CD GLN A 50 7.976 3.627 2.473 1.00 0.00 C ATOM 892 OE1 GLN A 50 7.168 4.454 2.895 1.00 0.00 O ATOM 893 NE2 GLN A 50 9.170 3.445 3.025 1.00 0.00 N ATOM 0 H GLN A 50 4.402 1.398 0.905 1.00 0.00 H new ATOM 0 HA GLN A 50 6.857 1.096 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.852 1.957 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.266 0.946 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.570 2.378 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.155 3.359 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.808 2.748 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.449 4.003 3.832 1.00 0.00 H new ATOM 902 N ASN A 51 5.915 -1.445 1.425 1.00 0.00 N ATOM 903 CA ASN A 51 6.185 -2.850 1.713 1.00 0.00 C ATOM 904 C ASN A 51 6.000 -3.711 0.467 1.00 0.00 C ATOM 905 O ASN A 51 6.726 -4.685 0.263 1.00 0.00 O ATOM 906 CB ASN A 51 5.275 -3.352 2.838 1.00 0.00 C ATOM 907 CG ASN A 51 6.041 -4.105 3.907 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.859 -5.310 4.085 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.903 -3.396 4.626 1.00 0.00 N ATOM 0 H ASN A 51 5.068 -1.080 1.860 1.00 0.00 H new ATOM 0 HA ASN A 51 7.223 -2.931 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.761 -2.504 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.508 -4.002 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.447 -3.848 5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.021 -2.399 4.443 1.00 0.00 H new ATOM 916 N LYS A 52 5.027 -3.350 -0.364 1.00 0.00 N ATOM 917 CA LYS A 52 4.757 -4.096 -1.587 1.00 0.00 C ATOM 918 C LYS A 52 5.923 -3.974 -2.561 1.00 0.00 C ATOM 919 O LYS A 52 6.296 -4.941 -3.222 1.00 0.00 O ATOM 920 CB LYS A 52 3.471 -3.600 -2.250 1.00 0.00 C ATOM 921 CG LYS A 52 2.695 -4.694 -2.967 1.00 0.00 C ATOM 922 CD LYS A 52 1.923 -5.561 -1.985 1.00 0.00 C ATOM 923 CE LYS A 52 1.303 -6.766 -2.675 1.00 0.00 C ATOM 924 NZ LYS A 52 1.207 -7.939 -1.764 1.00 0.00 N ATOM 0 H LYS A 52 4.415 -2.548 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 52 4.632 -5.145 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.831 -3.150 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.720 -2.815 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.003 -4.244 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.384 -5.315 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.591 -5.898 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.140 -4.968 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.308 -6.505 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.900 -7.032 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.779 -8.739 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.158 -8.204 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.616 -7.694 -0.944 1.00 0.00 H new ATOM 938 N ARG A 53 6.497 -2.778 -2.639 1.00 0.00 N ATOM 939 CA ARG A 53 7.625 -2.533 -3.530 1.00 0.00 C ATOM 940 C ARG A 53 8.831 -3.368 -3.115 1.00 0.00 C ATOM 941 O ARG A 53 9.646 -3.759 -3.952 1.00 0.00 O ATOM 942 CB ARG A 53 7.992 -1.048 -3.527 1.00 0.00 C ATOM 943 CG ARG A 53 8.958 -0.659 -4.633 1.00 0.00 C ATOM 944 CD ARG A 53 9.574 0.707 -4.376 1.00 0.00 C ATOM 945 NE ARG A 53 10.866 0.605 -3.700 1.00 0.00 N ATOM 946 CZ ARG A 53 11.380 1.560 -2.929 1.00 0.00 C ATOM 947 NH1 ARG A 53 10.722 2.698 -2.738 1.00 0.00 N ATOM 948 NH2 ARG A 53 12.558 1.380 -2.349 1.00 0.00 N ATOM 0 H ARG A 53 6.201 -1.966 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 53 7.332 -2.824 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.082 -0.457 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.434 -0.793 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.747 -1.407 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.434 -0.650 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.700 1.232 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.893 1.304 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 53 11.407 -0.251 -3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.816 2.844 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.122 3.425 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.070 0.510 -2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.953 2.112 -1.758 1.00 0.00 H new