USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 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 9 SER OG : rot 180:sc= -0.337 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.802 K(o=-1.1,f=-0.34) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0908 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.664 K(o=-0.66,f=-3.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 32 GLN : amide:sc= 0.363 K(o=0.36,f=-1.9!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 64:sc= -1.26 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.32) USER MOD Single : A 44 GLN : amide:sc= -2.07 K(o=-2.1,f=-4.5!) USER MOD Single : A 46 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.55!) USER MOD Single : A 50 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.017) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.477 -6.727 3.611 1.00 0.00 N ATOM 176 CA SER A 9 -9.410 -7.722 3.097 1.00 0.00 C ATOM 177 C SER A 9 -9.082 -8.076 1.650 1.00 0.00 C ATOM 178 O SER A 9 -8.390 -7.328 0.961 1.00 0.00 O ATOM 179 CB SER A 9 -10.846 -7.204 3.193 1.00 0.00 C ATOM 180 OG SER A 9 -11.162 -6.365 2.095 1.00 0.00 O ATOM 0 HA SER A 9 -9.315 -8.622 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.538 -8.046 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.975 -6.653 4.124 1.00 0.00 H new ATOM 0 HG SER A 9 -12.086 -6.049 2.180 1.00 0.00 H new ATOM 186 N SER A 10 -9.584 -9.220 1.197 1.00 0.00 N ATOM 187 CA SER A 10 -9.345 -9.673 -0.170 1.00 0.00 C ATOM 188 C SER A 10 -9.733 -8.599 -1.183 1.00 0.00 C ATOM 189 O SER A 10 -8.983 -8.313 -2.116 1.00 0.00 O ATOM 190 CB SER A 10 -10.131 -10.957 -0.445 1.00 0.00 C ATOM 191 OG SER A 10 -10.355 -11.685 0.748 1.00 0.00 O ATOM 0 H SER A 10 -10.159 -9.851 1.756 1.00 0.00 H new ATOM 0 HA SER A 10 -8.279 -9.873 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.086 -10.710 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.583 -11.577 -1.155 1.00 0.00 H new ATOM 0 HG SER A 10 -10.860 -12.499 0.544 1.00 0.00 H new ATOM 197 N GLU A 11 -10.911 -8.012 -0.995 1.00 0.00 N ATOM 198 CA GLU A 11 -11.403 -6.973 -1.893 1.00 0.00 C ATOM 199 C GLU A 11 -10.556 -5.707 -1.792 1.00 0.00 C ATOM 200 O GLU A 11 -10.293 -5.043 -2.797 1.00 0.00 O ATOM 201 CB GLU A 11 -12.864 -6.647 -1.575 1.00 0.00 C ATOM 202 CG GLU A 11 -13.668 -6.207 -2.788 1.00 0.00 C ATOM 203 CD GLU A 11 -14.581 -5.035 -2.487 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.101 -3.882 -2.528 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.776 -5.269 -2.211 1.00 0.00 O ATOM 0 H GLU A 11 -11.543 -8.239 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.331 -7.351 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.336 -7.526 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.896 -5.859 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.985 -5.934 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.265 -7.045 -3.147 1.00 0.00 H new ATOM 212 N GLN A 12 -10.133 -5.376 -0.577 1.00 0.00 N ATOM 213 CA GLN A 12 -9.321 -4.186 -0.355 1.00 0.00 C ATOM 214 C GLN A 12 -7.952 -4.338 -1.006 1.00 0.00 C ATOM 215 O GLN A 12 -7.473 -3.428 -1.682 1.00 0.00 O ATOM 216 CB GLN A 12 -9.162 -3.922 1.143 1.00 0.00 C ATOM 217 CG GLN A 12 -10.448 -3.477 1.821 1.00 0.00 C ATOM 218 CD GLN A 12 -10.339 -3.474 3.333 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.697 -4.341 3.923 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.971 -2.492 3.969 1.00 0.00 N ATOM 0 H GLN A 12 -10.338 -5.913 0.266 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.830 -3.337 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.801 -4.829 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.400 -3.157 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.708 -2.476 1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.261 -4.138 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.492 -1.794 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.935 -2.437 4.987 1.00 0.00 H new ATOM 229 N LEU A 13 -7.331 -5.496 -0.811 1.00 0.00 N ATOM 230 CA LEU A 13 -6.023 -5.761 -1.395 1.00 0.00 C ATOM 231 C LEU A 13 -6.127 -5.836 -2.911 1.00 0.00 C ATOM 232 O LEU A 13 -5.223 -5.409 -3.627 1.00 0.00 O ATOM 233 CB LEU A 13 -5.443 -7.070 -0.851 1.00 0.00 C ATOM 234 CG LEU A 13 -4.655 -6.964 0.462 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.690 -8.132 0.591 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.897 -5.647 0.549 1.00 0.00 C ATOM 0 H LEU A 13 -7.711 -6.263 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.357 -4.942 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.262 -7.774 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.789 -7.497 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.369 -6.996 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.137 -8.045 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.249 -9.068 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.992 -8.121 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.350 -5.604 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.196 -5.575 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.602 -4.817 0.501 1.00 0.00 H new ATOM 248 N ALA A 14 -7.240 -6.377 -3.394 1.00 0.00 N ATOM 249 CA ALA A 14 -7.466 -6.499 -4.828 1.00 0.00 C ATOM 250 C ALA A 14 -7.479 -5.124 -5.484 1.00 0.00 C ATOM 251 O ALA A 14 -6.842 -4.909 -6.515 1.00 0.00 O ATOM 252 CB ALA A 14 -8.772 -7.233 -5.100 1.00 0.00 C ATOM 0 H ALA A 14 -7.998 -6.737 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.649 -7.078 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.926 -7.316 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.727 -8.230 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.600 -6.679 -4.657 1.00 0.00 H new ATOM 258 N ARG A 15 -8.204 -4.193 -4.871 1.00 0.00 N ATOM 259 CA ARG A 15 -8.293 -2.834 -5.389 1.00 0.00 C ATOM 260 C ARG A 15 -6.928 -2.154 -5.344 1.00 0.00 C ATOM 261 O ARG A 15 -6.498 -1.532 -6.317 1.00 0.00 O ATOM 262 CB ARG A 15 -9.308 -2.022 -4.580 1.00 0.00 C ATOM 263 CG ARG A 15 -10.115 -1.046 -5.421 1.00 0.00 C ATOM 264 CD ARG A 15 -11.606 -1.340 -5.348 1.00 0.00 C ATOM 265 NE ARG A 15 -12.097 -1.984 -6.564 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.360 -1.332 -7.694 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.180 -0.019 -7.768 1.00 0.00 N ATOM 268 NH2 ARG A 15 -12.802 -1.994 -8.754 1.00 0.00 N ATOM 0 H ARG A 15 -8.737 -4.355 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.625 -2.883 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.991 -2.707 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.781 -1.469 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.927 -0.028 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.784 -1.099 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.807 -1.983 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.151 -0.410 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.247 -2.993 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.838 0.495 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.383 0.475 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.941 -3.003 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.004 -1.494 -9.620 1.00 0.00 H new ATOM 282 N LEU A 16 -6.249 -2.283 -4.208 1.00 0.00 N ATOM 283 CA LEU A 16 -4.929 -1.689 -4.032 1.00 0.00 C ATOM 284 C LEU A 16 -3.930 -2.297 -5.011 1.00 0.00 C ATOM 285 O LEU A 16 -3.081 -1.598 -5.563 1.00 0.00 O ATOM 286 CB LEU A 16 -4.445 -1.893 -2.595 1.00 0.00 C ATOM 287 CG LEU A 16 -5.054 -0.938 -1.565 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.464 -1.694 -0.308 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.071 0.175 -1.225 1.00 0.00 C ATOM 0 H LEU A 16 -6.592 -2.794 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.004 -0.620 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.667 -2.917 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.361 -1.783 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.947 -0.488 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.894 -0.997 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.203 -2.453 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.589 -2.173 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.520 0.845 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.160 -0.258 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.829 0.735 -2.128 1.00 0.00 H new ATOM 301 N LYS A 17 -4.042 -3.604 -5.222 1.00 0.00 N ATOM 302 CA LYS A 17 -3.153 -4.312 -6.136 1.00 0.00 C ATOM 303 C LYS A 17 -3.324 -3.790 -7.558 1.00 0.00 C ATOM 304 O LYS A 17 -2.346 -3.514 -8.252 1.00 0.00 O ATOM 305 CB LYS A 17 -3.431 -5.816 -6.091 1.00 0.00 C ATOM 306 CG LYS A 17 -2.706 -6.534 -4.965 1.00 0.00 C ATOM 307 CD LYS A 17 -2.313 -7.948 -5.364 1.00 0.00 C ATOM 308 CE LYS A 17 -2.827 -8.976 -4.367 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.777 -9.965 -3.998 1.00 0.00 N ATOM 0 H LYS A 17 -4.741 -4.195 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.125 -4.136 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.504 -5.976 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.138 -6.260 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.814 -5.972 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.346 -6.569 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.710 -8.171 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.227 -8.019 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.178 -8.467 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.684 -9.498 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.167 -10.648 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.460 -10.469 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.970 -9.470 -3.568 1.00 0.00 H new ATOM 323 N ARG A 18 -4.576 -3.653 -7.983 1.00 0.00 N ATOM 324 CA ARG A 18 -4.877 -3.156 -9.319 1.00 0.00 C ATOM 325 C ARG A 18 -4.340 -1.740 -9.494 1.00 0.00 C ATOM 326 O ARG A 18 -3.840 -1.381 -10.560 1.00 0.00 O ATOM 327 CB ARG A 18 -6.386 -3.180 -9.570 1.00 0.00 C ATOM 328 CG ARG A 18 -6.757 -3.530 -11.002 1.00 0.00 C ATOM 329 CD ARG A 18 -8.236 -3.306 -11.270 1.00 0.00 C ATOM 330 NE ARG A 18 -8.462 -2.193 -12.192 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.532 -2.084 -12.977 1.00 0.00 C ATOM 332 NH1 ARG A 18 -10.485 -3.008 -12.952 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.652 -1.041 -13.788 1.00 0.00 N ATOM 0 H ARG A 18 -5.397 -3.879 -7.422 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.390 -3.807 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.847 -3.903 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.803 -2.204 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.167 -2.924 -11.689 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.505 -4.572 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.671 -4.215 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.749 -3.108 -10.329 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.758 -1.456 -12.236 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.401 -3.810 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.301 -2.916 -13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.926 -0.325 -13.809 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.471 -0.955 -14.390 1.00 0.00 H new ATOM 347 N GLU A 19 -4.444 -0.942 -8.436 1.00 0.00 N ATOM 348 CA GLU A 19 -3.964 0.433 -8.468 1.00 0.00 C ATOM 349 C GLU A 19 -2.439 0.470 -8.514 1.00 0.00 C ATOM 350 O GLU A 19 -1.849 1.285 -9.223 1.00 0.00 O ATOM 351 CB GLU A 19 -4.472 1.202 -7.246 1.00 0.00 C ATOM 352 CG GLU A 19 -5.533 2.239 -7.578 1.00 0.00 C ATOM 353 CD GLU A 19 -5.014 3.660 -7.476 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.892 3.918 -7.961 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.728 4.514 -6.912 1.00 0.00 O ATOM 0 H GLU A 19 -4.856 -1.225 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.349 0.909 -9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.881 0.494 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.630 1.698 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.903 2.063 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.379 2.116 -6.902 1.00 0.00 H new ATOM 362 N PHE A 20 -1.807 -0.419 -7.755 1.00 0.00 N ATOM 363 CA PHE A 20 -0.351 -0.489 -7.711 1.00 0.00 C ATOM 364 C PHE A 20 0.214 -0.838 -9.083 1.00 0.00 C ATOM 365 O PHE A 20 1.248 -0.309 -9.493 1.00 0.00 O ATOM 366 CB PHE A 20 0.105 -1.522 -6.681 1.00 0.00 C ATOM 367 CG PHE A 20 1.586 -1.496 -6.427 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.466 -2.090 -7.319 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.097 -0.874 -5.300 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.828 -2.064 -7.090 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.459 -0.844 -5.067 1.00 0.00 C ATOM 372 CZ PHE A 20 4.325 -1.439 -5.962 1.00 0.00 C ATOM 0 H PHE A 20 -2.280 -1.101 -7.162 1.00 0.00 H new ATOM 0 HA PHE A 20 0.026 0.491 -7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.421 -1.345 -5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.180 -2.517 -7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.082 -2.578 -8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.424 -0.407 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.503 -2.531 -7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.846 -0.355 -4.185 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.389 -1.416 -5.781 1.00 0.00 H new ATOM 382 N ASN A 21 -0.470 -1.731 -9.790 1.00 0.00 N ATOM 383 CA ASN A 21 -0.036 -2.146 -11.118 1.00 0.00 C ATOM 384 C ASN A 21 -0.039 -0.962 -12.080 1.00 0.00 C ATOM 385 O ASN A 21 0.736 -0.924 -13.036 1.00 0.00 O ATOM 386 CB ASN A 21 -0.943 -3.260 -11.650 1.00 0.00 C ATOM 387 CG ASN A 21 -0.243 -4.605 -11.688 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.242 -5.036 -12.734 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.189 -5.276 -10.543 1.00 0.00 N ATOM 0 H ASN A 21 -1.326 -2.181 -9.466 1.00 0.00 H new ATOM 0 HA ASN A 21 0.982 -2.527 -11.042 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.831 -3.333 -11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.282 -3.001 -12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.268 -6.187 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.605 -4.880 -9.700 1.00 0.00 H new ATOM 396 N GLU A 22 -0.913 0.004 -11.817 1.00 0.00 N ATOM 397 CA GLU A 22 -1.015 1.193 -12.652 1.00 0.00 C ATOM 398 C GLU A 22 0.039 2.220 -12.253 1.00 0.00 C ATOM 399 O GLU A 22 0.620 2.894 -13.104 1.00 0.00 O ATOM 400 CB GLU A 22 -2.411 1.807 -12.534 1.00 0.00 C ATOM 401 CG GLU A 22 -3.398 1.279 -13.562 1.00 0.00 C ATOM 402 CD GLU A 22 -3.017 1.653 -14.981 1.00 0.00 C ATOM 403 OE1 GLU A 22 -2.397 2.721 -15.167 1.00 0.00 O ATOM 404 OE2 GLU A 22 -3.340 0.879 -15.906 1.00 0.00 O ATOM 0 H GLU A 22 -1.562 -0.015 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.843 0.899 -13.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.801 1.612 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.333 2.889 -12.640 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.457 0.194 -13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.391 1.670 -13.341 1.00 0.00 H new ATOM 411 N ASN A 23 0.278 2.330 -10.951 1.00 0.00 N ATOM 412 CA ASN A 23 1.262 3.273 -10.432 1.00 0.00 C ATOM 413 C ASN A 23 1.751 2.842 -9.053 1.00 0.00 C ATOM 414 O ASN A 23 1.052 3.011 -8.054 1.00 0.00 O ATOM 415 CB ASN A 23 0.663 4.679 -10.360 1.00 0.00 C ATOM 416 CG ASN A 23 1.018 5.521 -11.569 1.00 0.00 C ATOM 417 OD1 ASN A 23 1.798 5.103 -12.425 1.00 0.00 O ATOM 418 ND2 ASN A 23 0.445 6.717 -11.646 1.00 0.00 N ATOM 0 H ASN A 23 -0.196 1.778 -10.236 1.00 0.00 H new ATOM 0 HA ASN A 23 2.114 3.285 -11.112 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.421 4.605 -10.278 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.018 5.176 -9.457 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.646 7.329 -12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.196 7.024 -10.914 1.00 0.00 H new ATOM 425 N ARG A 24 2.960 2.288 -9.005 1.00 0.00 N ATOM 426 CA ARG A 24 3.549 1.836 -7.747 1.00 0.00 C ATOM 427 C ARG A 24 3.995 3.015 -6.878 1.00 0.00 C ATOM 428 O ARG A 24 4.498 2.823 -5.771 1.00 0.00 O ATOM 429 CB ARG A 24 4.734 0.903 -8.014 1.00 0.00 C ATOM 430 CG ARG A 24 5.768 1.478 -8.971 1.00 0.00 C ATOM 431 CD ARG A 24 6.878 0.479 -9.261 1.00 0.00 C ATOM 432 NE ARG A 24 6.783 -0.069 -10.614 1.00 0.00 N ATOM 433 CZ ARG A 24 6.478 -1.337 -10.891 1.00 0.00 C ATOM 434 NH1 ARG A 24 6.228 -2.204 -9.917 1.00 0.00 N ATOM 435 NH2 ARG A 24 6.419 -1.740 -12.153 1.00 0.00 N ATOM 0 H ARG A 24 3.551 2.141 -9.823 1.00 0.00 H new ATOM 0 HA ARG A 24 2.779 1.289 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.220 0.669 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.360 -0.036 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.282 1.764 -9.904 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.196 2.385 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.845 0.965 -9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.832 -0.334 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 24 6.962 0.560 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.268 -1.903 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.996 -3.171 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.607 -1.081 -12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.186 -2.709 -12.368 1.00 0.00 H new ATOM 449 N TYR A 25 3.801 4.235 -7.380 1.00 0.00 N ATOM 450 CA TYR A 25 4.176 5.437 -6.646 1.00 0.00 C ATOM 451 C TYR A 25 2.930 6.156 -6.145 1.00 0.00 C ATOM 452 O TYR A 25 2.119 6.634 -6.938 1.00 0.00 O ATOM 453 CB TYR A 25 4.995 6.372 -7.541 1.00 0.00 C ATOM 454 CG TYR A 25 6.446 6.494 -7.135 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.336 5.447 -7.341 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.926 7.658 -6.547 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.663 5.557 -6.973 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.252 7.776 -6.177 1.00 0.00 C ATOM 459 CZ TYR A 25 9.117 6.723 -6.391 1.00 0.00 C ATOM 460 OH TYR A 25 10.440 6.840 -6.022 1.00 0.00 O ATOM 0 H TYR A 25 3.385 4.414 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 25 4.785 5.146 -5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.945 6.012 -8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.540 7.362 -7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.985 4.533 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.251 8.484 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.342 4.734 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.609 8.688 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 25 10.593 7.724 -5.628 1.00 0.00 H new ATOM 470 N LEU A 26 2.775 6.223 -4.829 1.00 0.00 N ATOM 471 CA LEU A 26 1.616 6.877 -4.237 1.00 0.00 C ATOM 472 C LEU A 26 1.880 8.355 -3.982 1.00 0.00 C ATOM 473 O LEU A 26 2.997 8.844 -4.153 1.00 0.00 O ATOM 474 CB LEU A 26 1.226 6.200 -2.919 1.00 0.00 C ATOM 475 CG LEU A 26 0.205 5.062 -3.021 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.333 4.725 -1.640 1.00 0.00 C ATOM 477 CD2 LEU A 26 -0.947 5.426 -3.946 1.00 0.00 C ATOM 0 H LEU A 26 3.434 5.834 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 26 0.796 6.786 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.131 5.808 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.826 6.960 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 26 0.713 4.194 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.058 3.915 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.489 4.414 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.816 5.604 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.651 4.596 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.455 6.311 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.561 5.632 -4.944 1.00 0.00 H new ATOM 489 N THR A 27 0.832 9.048 -3.558 1.00 0.00 N ATOM 490 CA THR A 27 0.901 10.470 -3.252 1.00 0.00 C ATOM 491 C THR A 27 -0.043 10.787 -2.102 1.00 0.00 C ATOM 492 O THR A 27 -0.846 9.944 -1.703 1.00 0.00 O ATOM 493 CB THR A 27 0.507 11.313 -4.469 1.00 0.00 C ATOM 494 OG1 THR A 27 -0.891 11.240 -4.691 1.00 0.00 O ATOM 495 CG2 THR A 27 1.199 10.903 -5.753 1.00 0.00 C ATOM 0 H THR A 27 -0.092 8.639 -3.416 1.00 0.00 H new ATOM 0 HA THR A 27 1.927 10.712 -2.976 1.00 0.00 H new ATOM 0 HB THR A 27 0.824 12.327 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.127 11.785 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.867 11.547 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.278 10.999 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.951 9.867 -5.986 1.00 0.00 H new ATOM 503 N GLU A 28 0.040 12.000 -1.577 1.00 0.00 N ATOM 504 CA GLU A 28 -0.831 12.407 -0.482 1.00 0.00 C ATOM 505 C GLU A 28 -2.293 12.229 -0.877 1.00 0.00 C ATOM 506 O GLU A 28 -3.074 11.610 -0.155 1.00 0.00 O ATOM 507 CB GLU A 28 -0.562 13.864 -0.103 1.00 0.00 C ATOM 508 CG GLU A 28 -0.950 14.202 1.327 1.00 0.00 C ATOM 509 CD GLU A 28 -0.310 15.487 1.814 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.851 15.752 1.438 1.00 0.00 O ATOM 511 OE2 GLU A 28 -0.970 16.228 2.574 1.00 0.00 O ATOM 0 H GLU A 28 0.696 12.716 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.621 11.776 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.498 14.078 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.111 14.515 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.034 14.292 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.657 13.382 1.983 1.00 0.00 H new ATOM 518 N ARG A 29 -2.650 12.774 -2.035 1.00 0.00 N ATOM 519 CA ARG A 29 -4.012 12.680 -2.545 1.00 0.00 C ATOM 520 C ARG A 29 -4.430 11.225 -2.757 1.00 0.00 C ATOM 521 O ARG A 29 -5.551 10.841 -2.426 1.00 0.00 O ATOM 522 CB ARG A 29 -4.144 13.458 -3.854 1.00 0.00 C ATOM 523 CG ARG A 29 -4.433 14.938 -3.655 1.00 0.00 C ATOM 524 CD ARG A 29 -5.891 15.175 -3.296 1.00 0.00 C ATOM 525 NE ARG A 29 -6.130 15.044 -1.859 1.00 0.00 N ATOM 526 CZ ARG A 29 -6.082 16.059 -0.998 1.00 0.00 C ATOM 527 NH1 ARG A 29 -5.795 17.287 -1.415 1.00 0.00 N ATOM 528 NH2 ARG A 29 -6.318 15.845 0.289 1.00 0.00 N ATOM 0 H ARG A 29 -2.010 13.288 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.676 13.117 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.222 13.350 -4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.943 13.017 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.794 15.332 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.188 15.484 -4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.188 16.171 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.517 14.463 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.347 14.117 -1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.609 17.460 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.761 18.057 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.536 14.904 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.282 16.621 0.950 1.00 0.00 H new ATOM 542 N ARG A 30 -3.527 10.421 -3.319 1.00 0.00 N ATOM 543 CA ARG A 30 -3.822 9.016 -3.578 1.00 0.00 C ATOM 544 C ARG A 30 -3.990 8.242 -2.276 1.00 0.00 C ATOM 545 O ARG A 30 -4.865 7.382 -2.164 1.00 0.00 O ATOM 546 CB ARG A 30 -2.711 8.385 -4.418 1.00 0.00 C ATOM 547 CG ARG A 30 -2.607 8.955 -5.823 1.00 0.00 C ATOM 548 CD ARG A 30 -2.712 7.865 -6.878 1.00 0.00 C ATOM 549 NE ARG A 30 -4.096 7.454 -7.101 1.00 0.00 N ATOM 550 CZ ARG A 30 -5.018 8.232 -7.662 1.00 0.00 C ATOM 551 NH1 ARG A 30 -4.708 9.459 -8.061 1.00 0.00 N ATOM 552 NH2 ARG A 30 -6.255 7.780 -7.826 1.00 0.00 N ATOM 0 H ARG A 30 -2.593 10.718 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.760 8.967 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.758 8.525 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.883 7.311 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.397 9.689 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.658 9.480 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.285 8.224 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.122 7.002 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.371 6.516 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.758 9.811 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.419 10.051 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.498 6.837 -7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.963 8.376 -8.256 1.00 0.00 H new ATOM 566 N ARG A 31 -3.152 8.553 -1.296 1.00 0.00 N ATOM 567 CA ARG A 31 -3.213 7.886 -0.003 1.00 0.00 C ATOM 568 C ARG A 31 -4.544 8.172 0.686 1.00 0.00 C ATOM 569 O ARG A 31 -5.244 7.257 1.121 1.00 0.00 O ATOM 570 CB ARG A 31 -2.056 8.349 0.886 1.00 0.00 C ATOM 571 CG ARG A 31 -1.098 7.235 1.268 1.00 0.00 C ATOM 572 CD ARG A 31 0.235 7.788 1.743 1.00 0.00 C ATOM 573 NE ARG A 31 0.150 8.342 3.093 1.00 0.00 N ATOM 574 CZ ARG A 31 0.081 9.645 3.364 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.079 10.543 2.385 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.013 10.054 4.624 1.00 0.00 N ATOM 0 H ARG A 31 -2.423 9.262 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.128 6.812 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.502 9.131 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.463 8.794 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.542 6.625 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.938 6.581 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.984 6.996 1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.572 8.563 1.054 1.00 0.00 H new ATOM 0 HE ARG A 31 0.143 7.690 3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.131 10.238 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.026 11.538 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.014 9.372 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.040 11.051 4.835 1.00 0.00 H new ATOM 590 N GLN A 32 -4.880 9.453 0.778 1.00 0.00 N ATOM 591 CA GLN A 32 -6.123 9.879 1.411 1.00 0.00 C ATOM 592 C GLN A 32 -7.336 9.387 0.628 1.00 0.00 C ATOM 593 O GLN A 32 -8.364 9.041 1.210 1.00 0.00 O ATOM 594 CB GLN A 32 -6.160 11.404 1.526 1.00 0.00 C ATOM 595 CG GLN A 32 -7.259 11.921 2.439 1.00 0.00 C ATOM 596 CD GLN A 32 -8.251 12.810 1.714 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.080 14.027 1.651 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.296 12.204 1.164 1.00 0.00 N ATOM 0 H GLN A 32 -4.307 10.218 0.421 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.161 9.442 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.197 11.755 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.294 11.831 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.788 11.076 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.811 12.479 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.397 11.192 1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.998 12.750 0.664 1.00 0.00 H new ATOM 607 N GLN A 33 -7.209 9.358 -0.694 1.00 0.00 N ATOM 608 CA GLN A 33 -8.299 8.910 -1.553 1.00 0.00 C ATOM 609 C GLN A 33 -8.568 7.423 -1.350 1.00 0.00 C ATOM 610 O GLN A 33 -9.711 7.012 -1.153 1.00 0.00 O ATOM 611 CB GLN A 33 -7.969 9.185 -3.022 1.00 0.00 C ATOM 612 CG GLN A 33 -8.347 10.586 -3.478 1.00 0.00 C ATOM 613 CD GLN A 33 -9.004 10.596 -4.845 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.167 10.220 -4.991 1.00 0.00 O ATOM 615 NE2 GLN A 33 -8.259 11.030 -5.855 1.00 0.00 N ATOM 0 H GLN A 33 -6.365 9.638 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.196 9.467 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.901 9.036 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.488 8.457 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.025 11.031 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.453 11.209 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.299 11.332 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.647 11.061 -6.798 1.00 0.00 H new ATOM 624 N LEU A 34 -7.508 6.624 -1.395 1.00 0.00 N ATOM 625 CA LEU A 34 -7.631 5.183 -1.213 1.00 0.00 C ATOM 626 C LEU A 34 -8.224 4.859 0.157 1.00 0.00 C ATOM 627 O LEU A 34 -9.062 3.967 0.285 1.00 0.00 O ATOM 628 CB LEU A 34 -6.264 4.509 -1.366 1.00 0.00 C ATOM 629 CG LEU A 34 -6.079 3.704 -2.654 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.425 4.552 -3.869 1.00 0.00 C ATOM 631 CD2 LEU A 34 -4.653 3.177 -2.755 1.00 0.00 C ATOM 0 H LEU A 34 -6.555 6.950 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.303 4.799 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.491 5.276 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.106 3.846 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.758 2.852 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.287 3.962 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.463 4.877 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.773 5.425 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.540 2.607 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.955 4.014 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.442 2.532 -1.902 1.00 0.00 H new ATOM 643 N SER A 35 -7.783 5.591 1.175 1.00 0.00 N ATOM 644 CA SER A 35 -8.272 5.385 2.532 1.00 0.00 C ATOM 645 C SER A 35 -9.774 5.622 2.605 1.00 0.00 C ATOM 646 O SER A 35 -10.515 4.813 3.160 1.00 0.00 O ATOM 647 CB SER A 35 -7.550 6.319 3.505 1.00 0.00 C ATOM 648 OG SER A 35 -7.184 7.533 2.871 1.00 0.00 O ATOM 0 H SER A 35 -7.088 6.332 1.085 1.00 0.00 H new ATOM 0 HA SER A 35 -8.068 4.352 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.196 6.531 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.659 5.826 3.894 1.00 0.00 H new ATOM 0 HG SER A 35 -7.992 8.019 2.603 1.00 0.00 H new ATOM 654 N SER A 36 -10.211 6.745 2.048 1.00 0.00 N ATOM 655 CA SER A 36 -11.626 7.103 2.051 1.00 0.00 C ATOM 656 C SER A 36 -12.444 6.185 1.142 1.00 0.00 C ATOM 657 O SER A 36 -13.585 5.847 1.454 1.00 0.00 O ATOM 658 CB SER A 36 -11.803 8.558 1.612 1.00 0.00 C ATOM 659 OG SER A 36 -12.925 9.150 2.242 1.00 0.00 O ATOM 0 H SER A 36 -9.606 7.425 1.588 1.00 0.00 H new ATOM 0 HA SER A 36 -11.994 6.982 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.905 9.126 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.925 8.602 0.530 1.00 0.00 H new ATOM 0 HG SER A 36 -13.014 10.080 1.945 1.00 0.00 H new ATOM 665 N GLU A 37 -11.860 5.802 0.010 1.00 0.00 N ATOM 666 CA GLU A 37 -12.543 4.941 -0.953 1.00 0.00 C ATOM 667 C GLU A 37 -12.874 3.572 -0.362 1.00 0.00 C ATOM 668 O GLU A 37 -14.024 3.135 -0.396 1.00 0.00 O ATOM 669 CB GLU A 37 -11.688 4.769 -2.210 1.00 0.00 C ATOM 670 CG GLU A 37 -12.485 4.853 -3.502 1.00 0.00 C ATOM 671 CD GLU A 37 -12.736 6.283 -3.939 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.748 7.177 -3.068 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.922 6.509 -5.154 1.00 0.00 O ATOM 0 H GLU A 37 -10.916 6.074 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.483 5.428 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.913 5.535 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.182 3.804 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.949 4.325 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.440 4.344 -3.370 1.00 0.00 H new ATOM 680 N LEU A 38 -11.861 2.891 0.165 1.00 0.00 N ATOM 681 CA LEU A 38 -12.055 1.565 0.743 1.00 0.00 C ATOM 682 C LEU A 38 -12.503 1.657 2.198 1.00 0.00 C ATOM 683 O LEU A 38 -13.444 0.978 2.612 1.00 0.00 O ATOM 684 CB LEU A 38 -10.762 0.752 0.648 1.00 0.00 C ATOM 685 CG LEU A 38 -10.117 0.722 -0.740 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.680 0.228 -0.653 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.931 -0.150 -1.686 1.00 0.00 C ATOM 0 H LEU A 38 -10.901 3.233 0.204 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.839 1.064 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.042 1.159 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.971 -0.272 0.957 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.103 1.737 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.239 0.214 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.104 0.895 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.666 -0.779 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.459 -0.160 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.977 -1.166 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.941 0.252 -1.773 1.00 0.00 H new ATOM 699 N GLY A 39 -11.827 2.498 2.969 1.00 0.00 N ATOM 700 CA GLY A 39 -12.168 2.663 4.369 1.00 0.00 C ATOM 701 C GLY A 39 -11.045 2.231 5.289 1.00 0.00 C ATOM 702 O GLY A 39 -11.281 1.577 6.305 1.00 0.00 O ATOM 0 H GLY A 39 -11.046 3.071 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.410 3.708 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.063 2.082 4.594 1.00 0.00 H new ATOM 706 N LEU A 40 -9.818 2.596 4.930 1.00 0.00 N ATOM 707 CA LEU A 40 -8.651 2.240 5.729 1.00 0.00 C ATOM 708 C LEU A 40 -7.856 3.482 6.116 1.00 0.00 C ATOM 709 O LEU A 40 -8.154 4.589 5.664 1.00 0.00 O ATOM 710 CB LEU A 40 -7.760 1.266 4.958 1.00 0.00 C ATOM 711 CG LEU A 40 -8.426 -0.063 4.589 1.00 0.00 C ATOM 712 CD1 LEU A 40 -8.030 -0.488 3.182 1.00 0.00 C ATOM 713 CD2 LEU A 40 -8.058 -1.141 5.597 1.00 0.00 C ATOM 0 H LEU A 40 -9.606 3.138 4.092 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.999 1.758 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.421 1.752 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.872 1.057 5.555 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.507 0.076 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.513 -1.434 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.345 0.274 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.948 -0.609 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.540 -2.078 5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.977 -1.277 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.393 -0.841 6.590 1.00 0.00 H new ATOM 725 N ASN A 41 -6.847 3.294 6.959 1.00 0.00 N ATOM 726 CA ASN A 41 -6.011 4.400 7.411 1.00 0.00 C ATOM 727 C ASN A 41 -4.921 4.722 6.392 1.00 0.00 C ATOM 728 O ASN A 41 -4.280 3.823 5.843 1.00 0.00 O ATOM 729 CB ASN A 41 -5.380 4.066 8.766 1.00 0.00 C ATOM 730 CG ASN A 41 -5.588 5.168 9.786 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.691 5.695 9.931 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.525 5.523 10.500 1.00 0.00 N ATOM 0 H ASN A 41 -6.588 2.385 7.343 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.646 5.279 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.809 3.138 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.312 3.893 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.604 6.259 11.201 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.630 5.059 10.347 1.00 0.00 H new ATOM 739 N GLU A 42 -4.714 6.014 6.147 1.00 0.00 N ATOM 740 CA GLU A 42 -3.701 6.464 5.198 1.00 0.00 C ATOM 741 C GLU A 42 -2.347 5.833 5.509 1.00 0.00 C ATOM 742 O GLU A 42 -1.607 5.448 4.605 1.00 0.00 O ATOM 743 CB GLU A 42 -3.586 7.990 5.233 1.00 0.00 C ATOM 744 CG GLU A 42 -4.410 8.688 4.164 1.00 0.00 C ATOM 745 CD GLU A 42 -5.160 9.892 4.698 1.00 0.00 C ATOM 746 OE1 GLU A 42 -6.246 9.703 5.286 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.664 11.026 4.527 1.00 0.00 O ATOM 0 H GLU A 42 -5.236 6.768 6.594 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.006 6.151 4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.901 8.347 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.539 8.270 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.753 9.004 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.122 7.980 3.740 1.00 0.00 H new ATOM 754 N ALA A 43 -2.033 5.731 6.796 1.00 0.00 N ATOM 755 CA ALA A 43 -0.772 5.146 7.231 1.00 0.00 C ATOM 756 C ALA A 43 -0.679 3.679 6.825 1.00 0.00 C ATOM 757 O ALA A 43 0.397 3.181 6.496 1.00 0.00 O ATOM 758 CB ALA A 43 -0.616 5.288 8.737 1.00 0.00 C ATOM 0 H ALA A 43 -2.636 6.046 7.556 1.00 0.00 H new ATOM 0 HA ALA A 43 0.038 5.685 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.331 4.846 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.630 6.344 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.437 4.775 9.238 1.00 0.00 H new ATOM 764 N GLN A 44 -1.817 2.992 6.847 1.00 0.00 N ATOM 765 CA GLN A 44 -1.859 1.583 6.480 1.00 0.00 C ATOM 766 C GLN A 44 -1.605 1.413 4.989 1.00 0.00 C ATOM 767 O GLN A 44 -0.850 0.535 4.574 1.00 0.00 O ATOM 768 CB GLN A 44 -3.211 0.973 6.854 1.00 0.00 C ATOM 769 CG GLN A 44 -3.254 0.408 8.265 1.00 0.00 C ATOM 770 CD GLN A 44 -3.422 1.485 9.318 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.604 2.398 9.425 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.487 1.383 10.104 1.00 0.00 N ATOM 0 H GLN A 44 -2.719 3.387 7.114 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.075 1.063 7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.984 1.734 6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.450 0.179 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.077 -0.303 8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.335 -0.145 8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.140 0.609 9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.652 2.078 10.832 1.00 0.00 H new ATOM 781 N ILE A 45 -2.229 2.268 4.186 1.00 0.00 N ATOM 782 CA ILE A 45 -2.052 2.212 2.743 1.00 0.00 C ATOM 783 C ILE A 45 -0.620 2.581 2.368 1.00 0.00 C ATOM 784 O ILE A 45 -0.013 1.953 1.500 1.00 0.00 O ATOM 785 CB ILE A 45 -3.032 3.153 2.013 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.473 2.835 2.421 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.863 3.036 0.503 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.254 4.050 2.871 1.00 0.00 C ATOM 0 H ILE A 45 -2.858 3.003 4.509 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.261 1.189 2.430 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.808 4.180 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.988 2.374 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.461 2.102 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.563 3.707 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.843 3.307 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.062 2.010 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.266 3.751 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.762 4.500 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.297 4.776 2.059 1.00 0.00 H new ATOM 800 N LYS A 46 -0.081 3.598 3.038 1.00 0.00 N ATOM 801 CA LYS A 46 1.285 4.040 2.781 1.00 0.00 C ATOM 802 C LYS A 46 2.269 2.902 3.017 1.00 0.00 C ATOM 803 O LYS A 46 3.161 2.661 2.204 1.00 0.00 O ATOM 804 CB LYS A 46 1.643 5.228 3.675 1.00 0.00 C ATOM 805 CG LYS A 46 2.764 6.092 3.120 1.00 0.00 C ATOM 806 CD LYS A 46 4.132 5.564 3.522 1.00 0.00 C ATOM 807 CE LYS A 46 5.216 6.052 2.574 1.00 0.00 C ATOM 808 NZ LYS A 46 5.224 5.286 1.296 1.00 0.00 N ATOM 0 H LYS A 46 -0.569 4.129 3.760 1.00 0.00 H new ATOM 0 HA LYS A 46 1.349 4.351 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.756 5.845 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.934 4.858 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.692 6.127 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.648 7.114 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.363 5.885 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.116 4.474 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.063 7.110 2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.189 5.961 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.188 4.949 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.582 4.472 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.907 5.902 0.520 1.00 0.00 H new ATOM 822 N ILE A 47 2.099 2.201 4.135 1.00 0.00 N ATOM 823 CA ILE A 47 2.973 1.085 4.468 1.00 0.00 C ATOM 824 C ILE A 47 2.795 -0.049 3.466 1.00 0.00 C ATOM 825 O ILE A 47 3.759 -0.711 3.084 1.00 0.00 O ATOM 826 CB ILE A 47 2.703 0.559 5.894 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.873 1.687 6.913 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.631 -0.601 6.230 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.141 1.444 8.214 1.00 0.00 C ATOM 0 H ILE A 47 1.367 2.386 4.821 1.00 0.00 H new ATOM 0 HA ILE A 47 3.999 1.451 4.425 1.00 0.00 H new ATOM 0 HB ILE A 47 1.676 0.196 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.935 1.819 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.516 2.619 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.421 -0.954 7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.470 -1.413 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.667 -0.267 6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.307 2.285 8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.074 1.342 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.514 0.530 8.676 1.00 0.00 H new ATOM 841 N TRP A 48 1.556 -0.265 3.036 1.00 0.00 N ATOM 842 CA TRP A 48 1.258 -1.316 2.072 1.00 0.00 C ATOM 843 C TRP A 48 2.008 -1.078 0.766 1.00 0.00 C ATOM 844 O TRP A 48 2.697 -1.965 0.263 1.00 0.00 O ATOM 845 CB TRP A 48 -0.245 -1.389 1.802 1.00 0.00 C ATOM 846 CG TRP A 48 -0.632 -2.562 0.957 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.890 -3.832 1.388 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.798 -2.578 -0.466 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.205 -4.637 0.320 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.157 -3.891 -0.827 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.680 -1.610 -1.470 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.398 -4.261 -2.148 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.919 -1.980 -2.780 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.274 -3.294 -3.108 1.00 0.00 C ATOM 0 H TRP A 48 0.744 0.273 3.340 1.00 0.00 H new ATOM 0 HA TRP A 48 1.586 -2.265 2.497 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.777 -1.442 2.752 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.565 -0.471 1.308 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.852 -4.156 2.418 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.437 -5.629 0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.408 -0.594 -1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.673 -5.273 -2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.830 -1.243 -3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.454 -3.550 -4.142 1.00 0.00 H new ATOM 865 N PHE A 49 1.873 0.128 0.224 1.00 0.00 N ATOM 866 CA PHE A 49 2.544 0.483 -1.020 1.00 0.00 C ATOM 867 C PHE A 49 4.057 0.451 -0.836 1.00 0.00 C ATOM 868 O PHE A 49 4.788 -0.035 -1.700 1.00 0.00 O ATOM 869 CB PHE A 49 2.099 1.869 -1.491 1.00 0.00 C ATOM 870 CG PHE A 49 1.153 1.829 -2.657 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.205 1.642 -2.457 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.622 1.980 -3.953 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.078 1.606 -3.528 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.754 1.945 -5.027 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.599 1.757 -4.814 1.00 0.00 C ATOM 0 H PHE A 49 1.306 0.874 0.626 1.00 0.00 H new ATOM 0 HA PHE A 49 2.269 -0.248 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.620 2.390 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.979 2.450 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.586 1.523 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.678 2.127 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.135 1.460 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.132 2.064 -6.032 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.280 1.728 -5.652 1.00 0.00 H new ATOM 885 N GLN A 50 4.519 0.965 0.299 1.00 0.00 N ATOM 886 CA GLN A 50 5.944 0.988 0.601 1.00 0.00 C ATOM 887 C GLN A 50 6.492 -0.433 0.687 1.00 0.00 C ATOM 888 O GLN A 50 7.591 -0.715 0.210 1.00 0.00 O ATOM 889 CB GLN A 50 6.199 1.728 1.914 1.00 0.00 C ATOM 890 CG GLN A 50 7.655 2.110 2.126 1.00 0.00 C ATOM 891 CD GLN A 50 8.267 1.435 3.338 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.312 0.793 3.244 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.614 1.576 4.486 1.00 0.00 N ATOM 0 H GLN A 50 3.927 1.371 1.024 1.00 0.00 H new ATOM 0 HA GLN A 50 6.458 1.514 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.588 2.631 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.872 1.101 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.229 1.844 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.730 3.191 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.750 2.118 4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.976 1.143 5.335 1.00 0.00 H new ATOM 902 N ASN A 51 5.713 -1.324 1.291 1.00 0.00 N ATOM 903 CA ASN A 51 6.113 -2.719 1.433 1.00 0.00 C ATOM 904 C ASN A 51 6.132 -3.405 0.072 1.00 0.00 C ATOM 905 O ASN A 51 7.039 -4.181 -0.232 1.00 0.00 O ATOM 906 CB ASN A 51 5.162 -3.455 2.378 1.00 0.00 C ATOM 907 CG ASN A 51 5.895 -4.367 3.341 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.849 -5.048 2.966 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.451 -4.384 4.593 1.00 0.00 N ATOM 0 H ASN A 51 4.800 -1.105 1.690 1.00 0.00 H new ATOM 0 HA ASN A 51 7.117 -2.748 1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.580 -2.727 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.455 -4.043 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.905 -4.978 5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.656 -3.803 4.860 1.00 0.00 H new ATOM 916 N LYS A 52 5.126 -3.110 -0.744 1.00 0.00 N ATOM 917 CA LYS A 52 5.026 -3.691 -2.076 1.00 0.00 C ATOM 918 C LYS A 52 6.137 -3.159 -2.976 1.00 0.00 C ATOM 919 O LYS A 52 6.729 -3.904 -3.756 1.00 0.00 O ATOM 920 CB LYS A 52 3.658 -3.381 -2.689 1.00 0.00 C ATOM 921 CG LYS A 52 2.887 -4.622 -3.117 1.00 0.00 C ATOM 922 CD LYS A 52 2.660 -4.655 -4.622 1.00 0.00 C ATOM 923 CE LYS A 52 3.389 -5.822 -5.272 1.00 0.00 C ATOM 924 NZ LYS A 52 3.005 -5.990 -6.701 1.00 0.00 N ATOM 0 H LYS A 52 4.368 -2.471 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 52 5.136 -4.772 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.062 -2.825 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.795 -2.732 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.435 -5.514 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.926 -4.648 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.592 -4.732 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.003 -3.719 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.465 -5.663 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.166 -6.739 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.523 -6.795 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.982 -6.168 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.241 -5.125 -7.228 1.00 0.00 H new ATOM 938 N ARG A 53 6.415 -1.865 -2.856 1.00 0.00 N ATOM 939 CA ARG A 53 7.456 -1.227 -3.652 1.00 0.00 C ATOM 940 C ARG A 53 8.832 -1.770 -3.277 1.00 0.00 C ATOM 941 O ARG A 53 9.691 -1.962 -4.136 1.00 0.00 O ATOM 942 CB ARG A 53 7.422 0.290 -3.452 1.00 0.00 C ATOM 943 CG ARG A 53 8.001 1.071 -4.621 1.00 0.00 C ATOM 944 CD ARG A 53 9.435 1.500 -4.352 1.00 0.00 C ATOM 945 NE ARG A 53 10.363 0.952 -5.339 1.00 0.00 N ATOM 946 CZ ARG A 53 11.666 0.783 -5.121 1.00 0.00 C ATOM 947 NH1 ARG A 53 12.200 1.116 -3.953 1.00 0.00 N ATOM 948 NH2 ARG A 53 12.436 0.276 -6.074 1.00 0.00 N ATOM 0 H ARG A 53 5.932 -1.237 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 53 7.268 -1.452 -4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.391 0.604 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.976 0.541 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.967 0.458 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.387 1.951 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.496 2.588 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.731 1.173 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 53 9.990 0.683 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.612 1.504 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.199 0.984 -3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.030 0.016 -6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.434 0.146 -5.908 1.00 0.00 H new