USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 THR OG1 : rot 180:sc=-0.00509 USER MOD Single : A 17 GLN : amide:sc= -0.0247 K(o=-0.025,f=-2.3) USER MOD Single : A 19 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.55) USER MOD Single : A 22 LYS NZ :NH3+ -112:sc= -0.0322 (180deg=-2.45!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 78:sc= 0.192 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 34 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.38) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 56 ASN : amide:sc= -0.0674 X(o=-0.067,f=-0.49) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.774 -0.278 -6.572 1.00 0.00 N ATOM 183 CA PHE A 13 8.408 0.952 -5.927 1.00 0.00 C ATOM 184 C PHE A 13 9.665 1.774 -5.915 1.00 0.00 C ATOM 185 O PHE A 13 10.732 1.295 -6.300 1.00 0.00 O ATOM 186 CB PHE A 13 7.978 0.755 -4.449 1.00 0.00 C ATOM 187 CG PHE A 13 6.691 -0.015 -4.340 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.651 -1.419 -4.467 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.494 0.670 -4.078 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.433 -2.108 -4.387 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.283 -0.019 -3.974 1.00 0.00 C ATOM 192 CZ PHE A 13 4.249 -1.403 -4.146 1.00 0.00 C ATOM 0 HA PHE A 13 7.567 1.402 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.764 0.227 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.861 1.728 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.567 -1.968 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.509 1.743 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.409 -3.181 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.372 0.520 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.308 -1.930 -4.093 1.00 0.00 H new ATOM 202 N THR A 14 9.561 3.041 -5.447 1.00 0.00 N ATOM 203 CA THR A 14 10.706 3.875 -5.158 1.00 0.00 C ATOM 204 C THR A 14 10.781 3.941 -3.655 1.00 0.00 C ATOM 205 O THR A 14 9.941 3.373 -2.961 1.00 0.00 O ATOM 206 CB THR A 14 10.658 5.267 -5.786 1.00 0.00 C ATOM 207 OG1 THR A 14 9.506 6.004 -5.388 1.00 0.00 O ATOM 208 CG2 THR A 14 10.660 5.110 -7.321 1.00 0.00 C ATOM 0 H THR A 14 8.667 3.497 -5.265 1.00 0.00 H new ATOM 0 HA THR A 14 11.599 3.438 -5.605 1.00 0.00 H new ATOM 0 HB THR A 14 11.530 5.824 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.520 6.887 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.626 6.095 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.567 4.592 -7.633 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.788 4.532 -7.629 1.00 0.00 H new ATOM 216 N ALA A 15 11.804 4.640 -3.115 1.00 0.00 N ATOM 217 CA ALA A 15 12.042 4.755 -1.694 1.00 0.00 C ATOM 218 C ALA A 15 11.007 5.629 -1.035 1.00 0.00 C ATOM 219 O ALA A 15 10.664 5.426 0.127 1.00 0.00 O ATOM 220 CB ALA A 15 13.424 5.366 -1.401 1.00 0.00 C ATOM 0 H ALA A 15 12.489 5.142 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 15 11.990 3.743 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.569 5.438 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.200 4.733 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.483 6.361 -1.842 1.00 0.00 H new ATOM 226 N GLU A 16 10.479 6.620 -1.795 1.00 0.00 N ATOM 227 CA GLU A 16 9.508 7.583 -1.351 1.00 0.00 C ATOM 228 C GLU A 16 8.147 6.961 -1.217 1.00 0.00 C ATOM 229 O GLU A 16 7.345 7.380 -0.384 1.00 0.00 O ATOM 230 CB GLU A 16 9.395 8.743 -2.365 1.00 0.00 C ATOM 231 CG GLU A 16 10.723 9.493 -2.569 1.00 0.00 C ATOM 232 CD GLU A 16 10.522 10.634 -3.564 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.193 10.341 -4.745 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.698 11.815 -3.159 1.00 0.00 O ATOM 0 H GLU A 16 10.746 6.754 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 16 9.844 7.951 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.055 8.349 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.636 9.446 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.080 9.886 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.486 8.807 -2.937 1.00 0.00 H new ATOM 241 N GLN A 17 7.869 5.929 -2.047 1.00 0.00 N ATOM 242 CA GLN A 17 6.596 5.257 -2.088 1.00 0.00 C ATOM 243 C GLN A 17 6.514 4.285 -0.948 1.00 0.00 C ATOM 244 O GLN A 17 5.542 4.309 -0.198 1.00 0.00 O ATOM 245 CB GLN A 17 6.355 4.514 -3.418 1.00 0.00 C ATOM 246 CG GLN A 17 6.172 5.483 -4.599 1.00 0.00 C ATOM 247 CD GLN A 17 5.947 4.698 -5.897 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.260 3.507 -5.987 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.385 5.402 -6.926 1.00 0.00 N ATOM 0 H GLN A 17 8.548 5.551 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 17 5.822 6.020 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.197 3.852 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.470 3.885 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.323 6.141 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.052 6.118 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.145 6.385 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.206 4.944 -7.820 1.00 0.00 H new ATOM 258 N LEU A 18 7.563 3.441 -0.778 1.00 0.00 N ATOM 259 CA LEU A 18 7.705 2.437 0.255 1.00 0.00 C ATOM 260 C LEU A 18 7.567 3.001 1.645 1.00 0.00 C ATOM 261 O LEU A 18 6.939 2.378 2.499 1.00 0.00 O ATOM 262 CB LEU A 18 9.096 1.763 0.185 1.00 0.00 C ATOM 263 CG LEU A 18 9.288 0.813 -1.019 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.760 0.385 -1.161 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.361 -0.414 -0.955 1.00 0.00 C ATOM 0 H LEU A 18 8.367 3.461 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 18 6.903 1.722 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.860 2.539 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.260 1.201 1.105 1.00 0.00 H new ATOM 0 HG LEU A 18 9.007 1.376 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.864 -0.283 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.382 1.267 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.077 -0.133 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.536 -1.048 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.567 -0.979 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.322 -0.085 -0.950 1.00 0.00 H new ATOM 277 N GLN A 19 8.142 4.207 1.876 1.00 0.00 N ATOM 278 CA GLN A 19 8.155 4.939 3.125 1.00 0.00 C ATOM 279 C GLN A 19 6.770 5.146 3.668 1.00 0.00 C ATOM 280 O GLN A 19 6.497 4.863 4.834 1.00 0.00 O ATOM 281 CB GLN A 19 8.870 6.302 2.926 1.00 0.00 C ATOM 282 CG GLN A 19 8.913 7.252 4.142 1.00 0.00 C ATOM 283 CD GLN A 19 7.660 8.140 4.201 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.347 8.847 3.235 1.00 0.00 O ATOM 285 NE2 GLN A 19 6.934 8.091 5.358 1.00 0.00 N ATOM 0 H GLN A 19 8.634 4.708 1.136 1.00 0.00 H new ATOM 0 HA GLN A 19 8.702 4.345 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.895 6.105 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.381 6.825 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.992 6.669 5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.803 7.879 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.237 7.490 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.090 8.655 5.454 1.00 0.00 H new ATOM 294 N ARG A 20 5.867 5.636 2.794 1.00 0.00 N ATOM 295 CA ARG A 20 4.494 5.948 3.101 1.00 0.00 C ATOM 296 C ARG A 20 3.709 4.716 3.482 1.00 0.00 C ATOM 297 O ARG A 20 2.939 4.752 4.435 1.00 0.00 O ATOM 298 CB ARG A 20 3.786 6.632 1.907 1.00 0.00 C ATOM 299 CG ARG A 20 2.451 7.296 2.287 1.00 0.00 C ATOM 300 CD ARG A 20 1.637 7.814 1.094 1.00 0.00 C ATOM 301 NE ARG A 20 2.405 8.896 0.394 1.00 0.00 N ATOM 302 CZ ARG A 20 1.893 9.577 -0.675 1.00 0.00 C ATOM 303 NH1 ARG A 20 0.643 9.302 -1.150 1.00 0.00 N ATOM 304 NH2 ARG A 20 2.646 10.541 -1.281 1.00 0.00 N ATOM 0 H ARG A 20 6.104 5.826 1.820 1.00 0.00 H new ATOM 0 HA ARG A 20 4.523 6.632 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.450 7.385 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.606 5.891 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.846 6.577 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.652 8.128 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.426 6.998 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.676 8.199 1.436 1.00 0.00 H new ATOM 0 HE ARG A 20 3.340 9.131 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.076 8.579 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.276 9.819 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.583 10.748 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.272 11.054 -2.079 1.00 0.00 H new ATOM 318 N LEU A 21 3.904 3.593 2.746 1.00 0.00 N ATOM 319 CA LEU A 21 3.150 2.365 2.906 1.00 0.00 C ATOM 320 C LEU A 21 3.402 1.675 4.217 1.00 0.00 C ATOM 321 O LEU A 21 2.539 0.953 4.710 1.00 0.00 O ATOM 322 CB LEU A 21 3.508 1.309 1.840 1.00 0.00 C ATOM 323 CG LEU A 21 3.328 1.772 0.385 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.897 0.732 -0.594 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.863 2.112 0.049 1.00 0.00 C ATOM 0 H LEU A 21 4.611 3.535 2.013 1.00 0.00 H new ATOM 0 HA LEU A 21 2.115 2.699 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.545 1.006 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.892 0.425 2.004 1.00 0.00 H new ATOM 0 HG LEU A 21 3.894 2.697 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.758 1.081 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.960 0.593 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.376 -0.216 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.793 2.433 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.241 1.229 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.517 2.914 0.701 1.00 0.00 H new ATOM 337 N LYS A 22 4.607 1.872 4.797 1.00 0.00 N ATOM 338 CA LYS A 22 5.040 1.257 6.031 1.00 0.00 C ATOM 339 C LYS A 22 4.377 1.923 7.203 1.00 0.00 C ATOM 340 O LYS A 22 4.116 1.285 8.222 1.00 0.00 O ATOM 341 CB LYS A 22 6.571 1.372 6.182 1.00 0.00 C ATOM 342 CG LYS A 22 7.311 0.432 5.217 1.00 0.00 C ATOM 343 CD LYS A 22 8.751 0.871 4.915 1.00 0.00 C ATOM 344 CE LYS A 22 9.605 -0.223 4.254 1.00 0.00 C ATOM 345 NZ LYS A 22 9.015 -0.679 2.975 1.00 0.00 N ATOM 0 H LYS A 22 5.313 2.486 4.391 1.00 0.00 H new ATOM 0 HA LYS A 22 4.759 0.204 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.879 2.401 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.854 1.136 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.328 -0.572 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.754 0.373 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.726 1.744 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.229 1.181 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.611 0.158 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.701 -1.070 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.682 -1.659 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.213 -0.066 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.734 -0.633 2.225 1.00 0.00 H new ATOM 359 N ALA A 23 4.058 3.229 7.056 1.00 0.00 N ATOM 360 CA ALA A 23 3.352 4.007 8.044 1.00 0.00 C ATOM 361 C ALA A 23 1.872 3.729 7.953 1.00 0.00 C ATOM 362 O ALA A 23 1.154 3.842 8.944 1.00 0.00 O ATOM 363 CB ALA A 23 3.567 5.517 7.840 1.00 0.00 C ATOM 0 H ALA A 23 4.299 3.763 6.221 1.00 0.00 H new ATOM 0 HA ALA A 23 3.743 3.721 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.019 6.069 8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.630 5.747 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.205 5.806 6.853 1.00 0.00 H new ATOM 369 N GLU A 24 1.391 3.352 6.745 1.00 0.00 N ATOM 370 CA GLU A 24 -0.002 3.118 6.460 1.00 0.00 C ATOM 371 C GLU A 24 -0.389 1.694 6.743 1.00 0.00 C ATOM 372 O GLU A 24 -1.579 1.409 6.831 1.00 0.00 O ATOM 373 CB GLU A 24 -0.354 3.442 4.992 1.00 0.00 C ATOM 374 CG GLU A 24 -0.361 4.957 4.723 1.00 0.00 C ATOM 375 CD GLU A 24 -0.683 5.233 3.258 1.00 0.00 C ATOM 376 OE1 GLU A 24 0.030 4.684 2.376 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.641 6.010 3.001 1.00 0.00 O ATOM 0 H GLU A 24 1.995 3.205 5.936 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.561 3.786 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.366 2.960 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.333 3.027 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.098 5.443 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.610 5.383 4.975 1.00 0.00 H new ATOM 384 N PHE A 25 0.585 0.762 6.915 1.00 0.00 N ATOM 385 CA PHE A 25 0.302 -0.599 7.322 1.00 0.00 C ATOM 386 C PHE A 25 0.077 -0.603 8.815 1.00 0.00 C ATOM 387 O PHE A 25 -0.781 -1.323 9.323 1.00 0.00 O ATOM 388 CB PHE A 25 1.459 -1.581 6.974 1.00 0.00 C ATOM 389 CG PHE A 25 1.076 -3.017 7.264 1.00 0.00 C ATOM 390 CD1 PHE A 25 -0.042 -3.590 6.635 1.00 0.00 C ATOM 391 CD2 PHE A 25 1.786 -3.781 8.208 1.00 0.00 C ATOM 392 CE1 PHE A 25 -0.444 -4.895 6.938 1.00 0.00 C ATOM 393 CE2 PHE A 25 1.381 -5.086 8.520 1.00 0.00 C ATOM 394 CZ PHE A 25 0.266 -5.645 7.883 1.00 0.00 C ATOM 0 H PHE A 25 1.577 0.953 6.771 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.580 -0.941 6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.720 -1.479 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.347 -1.317 7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.598 -3.016 5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.651 -3.358 8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.302 -5.324 6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.929 -5.661 9.252 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.045 -6.652 8.120 1.00 0.00 H new ATOM 404 N GLN A 26 0.854 0.243 9.532 1.00 0.00 N ATOM 405 CA GLN A 26 0.830 0.405 10.964 1.00 0.00 C ATOM 406 C GLN A 26 -0.495 0.961 11.413 1.00 0.00 C ATOM 407 O GLN A 26 -1.081 0.477 12.380 1.00 0.00 O ATOM 408 CB GLN A 26 1.952 1.373 11.406 1.00 0.00 C ATOM 409 CG GLN A 26 2.100 1.540 12.929 1.00 0.00 C ATOM 410 CD GLN A 26 3.279 2.474 13.231 1.00 0.00 C ATOM 411 OE1 GLN A 26 4.300 2.038 13.777 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.120 3.782 12.865 1.00 0.00 N ATOM 0 H GLN A 26 1.540 0.850 9.084 1.00 0.00 H new ATOM 0 HA GLN A 26 0.983 -0.574 11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.899 1.018 11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.763 2.351 10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.182 1.948 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.262 0.569 13.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.255 4.085 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.867 4.455 13.040 1.00 0.00 H new ATOM 421 N THR A 27 -0.999 1.988 10.687 1.00 0.00 N ATOM 422 CA THR A 27 -2.242 2.660 10.985 1.00 0.00 C ATOM 423 C THR A 27 -3.376 1.782 10.540 1.00 0.00 C ATOM 424 O THR A 27 -4.104 1.223 11.360 1.00 0.00 O ATOM 425 CB THR A 27 -2.332 4.038 10.341 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.219 4.830 10.740 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.634 4.764 10.746 1.00 0.00 C ATOM 0 H THR A 27 -0.526 2.364 9.865 1.00 0.00 H new ATOM 0 HA THR A 27 -2.296 2.829 12.060 1.00 0.00 H new ATOM 0 HB THR A 27 -2.330 3.901 9.260 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.427 4.563 10.228 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.667 5.744 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.494 4.175 10.425 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.661 4.886 11.829 1.00 0.00 H new ATOM 435 N ASN A 28 -3.527 1.648 9.212 1.00 0.00 N ATOM 436 CA ASN A 28 -4.585 0.919 8.576 1.00 0.00 C ATOM 437 C ASN A 28 -4.096 -0.467 8.290 1.00 0.00 C ATOM 438 O ASN A 28 -3.424 -0.730 7.293 1.00 0.00 O ATOM 439 CB ASN A 28 -5.003 1.568 7.243 1.00 0.00 C ATOM 440 CG ASN A 28 -5.709 2.902 7.514 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.057 3.937 7.699 1.00 0.00 O ATOM 442 ND2 ASN A 28 -7.076 2.861 7.540 1.00 0.00 N ATOM 0 H ASN A 28 -2.880 2.069 8.545 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.448 0.914 9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.126 1.731 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.667 0.899 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.608 3.712 7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.563 1.979 7.381 1.00 0.00 H new ATOM 449 N ARG A 29 -4.473 -1.398 9.187 1.00 0.00 N ATOM 450 CA ARG A 29 -4.250 -2.809 9.054 1.00 0.00 C ATOM 451 C ARG A 29 -5.353 -3.345 8.196 1.00 0.00 C ATOM 452 O ARG A 29 -5.128 -4.192 7.334 1.00 0.00 O ATOM 453 CB ARG A 29 -4.341 -3.486 10.434 1.00 0.00 C ATOM 454 CG ARG A 29 -3.905 -4.960 10.497 1.00 0.00 C ATOM 455 CD ARG A 29 -2.498 -5.266 9.956 1.00 0.00 C ATOM 456 NE ARG A 29 -1.492 -4.282 10.489 1.00 0.00 N ATOM 457 CZ ARG A 29 -0.859 -4.411 11.694 1.00 0.00 C ATOM 458 NH1 ARG A 29 -1.118 -5.463 12.523 1.00 0.00 N ATOM 459 NH2 ARG A 29 0.045 -3.461 12.074 1.00 0.00 N ATOM 0 H ARG A 29 -4.959 -1.155 10.050 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.267 -3.001 8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.730 -2.918 11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.372 -3.418 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.954 -5.290 11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.626 -5.557 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.208 -6.278 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.507 -5.229 8.867 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.268 -3.468 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.796 -6.174 12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.634 -5.539 13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.240 -2.669 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.525 -3.543 12.970 1.00 0.00 H new ATOM 473 N TYR A 30 -6.576 -2.796 8.416 1.00 0.00 N ATOM 474 CA TYR A 30 -7.774 -3.030 7.659 1.00 0.00 C ATOM 475 C TYR A 30 -7.742 -2.076 6.493 1.00 0.00 C ATOM 476 O TYR A 30 -8.550 -1.155 6.379 1.00 0.00 O ATOM 477 CB TYR A 30 -9.040 -2.751 8.506 1.00 0.00 C ATOM 478 CG TYR A 30 -9.191 -3.793 9.586 1.00 0.00 C ATOM 479 CD1 TYR A 30 -8.509 -3.682 10.810 1.00 0.00 C ATOM 480 CD2 TYR A 30 -10.029 -4.901 9.379 1.00 0.00 C ATOM 481 CE1 TYR A 30 -8.644 -4.666 11.797 1.00 0.00 C ATOM 482 CE2 TYR A 30 -10.175 -5.885 10.364 1.00 0.00 C ATOM 483 CZ TYR A 30 -9.476 -5.771 11.575 1.00 0.00 C ATOM 484 OH TYR A 30 -9.610 -6.768 12.566 1.00 0.00 O ATOM 0 H TYR A 30 -6.732 -2.141 9.182 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.814 -4.071 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.974 -1.760 8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.922 -2.752 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.873 -2.828 10.991 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.568 -4.995 8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.107 -4.573 12.729 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.825 -6.730 10.192 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.225 -7.462 12.250 1.00 0.00 H new ATOM 494 N LEU A 31 -6.761 -2.315 5.599 1.00 0.00 N ATOM 495 CA LEU A 31 -6.502 -1.585 4.386 1.00 0.00 C ATOM 496 C LEU A 31 -7.512 -2.090 3.379 1.00 0.00 C ATOM 497 O LEU A 31 -7.575 -3.289 3.108 1.00 0.00 O ATOM 498 CB LEU A 31 -5.053 -1.879 3.909 1.00 0.00 C ATOM 499 CG LEU A 31 -4.373 -0.871 2.943 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.247 -0.370 1.790 1.00 0.00 C ATOM 501 CD2 LEU A 31 -3.711 0.324 3.647 1.00 0.00 C ATOM 0 H LEU A 31 -6.097 -3.077 5.734 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.591 -0.507 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.424 -1.966 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.055 -2.854 3.423 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.591 -1.488 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.676 0.328 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.563 -1.215 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.125 0.135 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.259 0.980 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.463 0.877 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.940 -0.036 4.328 1.00 0.00 H new ATOM 513 N THR A 32 -8.354 -1.176 2.836 1.00 0.00 N ATOM 514 CA THR A 32 -9.474 -1.510 1.989 1.00 0.00 C ATOM 515 C THR A 32 -9.014 -1.423 0.569 1.00 0.00 C ATOM 516 O THR A 32 -7.955 -0.878 0.296 1.00 0.00 O ATOM 517 CB THR A 32 -10.696 -0.618 2.217 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.502 0.732 1.809 1.00 0.00 O ATOM 519 CG2 THR A 32 -10.987 -0.609 3.724 1.00 0.00 C ATOM 0 H THR A 32 -8.252 -0.173 2.991 1.00 0.00 H new ATOM 0 HA THR A 32 -9.804 -2.519 2.236 1.00 0.00 H new ATOM 0 HB THR A 32 -11.512 -1.024 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.319 1.246 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.855 0.019 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.190 -1.625 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.123 -0.215 4.259 1.00 0.00 H new ATOM 527 N GLU A 33 -9.823 -1.944 -0.376 1.00 0.00 N ATOM 528 CA GLU A 33 -9.548 -1.869 -1.793 1.00 0.00 C ATOM 529 C GLU A 33 -9.811 -0.481 -2.334 1.00 0.00 C ATOM 530 O GLU A 33 -9.345 -0.144 -3.420 1.00 0.00 O ATOM 531 CB GLU A 33 -10.396 -2.873 -2.605 1.00 0.00 C ATOM 532 CG GLU A 33 -10.121 -4.333 -2.203 1.00 0.00 C ATOM 533 CD GLU A 33 -10.956 -5.274 -3.070 1.00 0.00 C ATOM 534 OE1 GLU A 33 -10.737 -5.291 -4.310 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.823 -5.993 -2.502 1.00 0.00 O ATOM 0 H GLU A 33 -10.692 -2.431 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.493 -2.118 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.453 -2.652 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.187 -2.746 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.061 -4.559 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.363 -4.482 -1.151 1.00 0.00 H new ATOM 542 N GLN A 34 -10.567 0.348 -1.572 1.00 0.00 N ATOM 543 CA GLN A 34 -11.009 1.666 -1.965 1.00 0.00 C ATOM 544 C GLN A 34 -9.938 2.665 -1.608 1.00 0.00 C ATOM 545 O GLN A 34 -9.689 3.630 -2.325 1.00 0.00 O ATOM 546 CB GLN A 34 -12.341 2.022 -1.256 1.00 0.00 C ATOM 547 CG GLN A 34 -13.175 3.146 -1.908 1.00 0.00 C ATOM 548 CD GLN A 34 -12.576 4.534 -1.650 1.00 0.00 C ATOM 549 OE1 GLN A 34 -12.323 4.908 -0.498 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.354 5.311 -2.754 1.00 0.00 N ATOM 0 H GLN A 34 -10.885 0.088 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.184 1.688 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.955 1.123 -1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.117 2.312 -0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.238 2.973 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.193 3.113 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.580 4.954 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.962 6.247 -2.649 1.00 0.00 H new ATOM 559 N ARG A 35 -9.258 2.418 -0.473 1.00 0.00 N ATOM 560 CA ARG A 35 -8.167 3.211 0.022 1.00 0.00 C ATOM 561 C ARG A 35 -6.920 2.847 -0.703 1.00 0.00 C ATOM 562 O ARG A 35 -6.102 3.711 -0.991 1.00 0.00 O ATOM 563 CB ARG A 35 -7.892 2.858 1.481 1.00 0.00 C ATOM 564 CG ARG A 35 -6.767 3.635 2.157 1.00 0.00 C ATOM 565 CD ARG A 35 -6.641 3.209 3.620 1.00 0.00 C ATOM 566 NE ARG A 35 -6.120 4.381 4.362 1.00 0.00 N ATOM 567 CZ ARG A 35 -4.788 4.660 4.507 1.00 0.00 C ATOM 568 NH1 ARG A 35 -3.836 3.772 4.099 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.405 5.844 5.068 1.00 0.00 N ATOM 0 H ARG A 35 -9.478 1.626 0.132 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.432 4.261 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.808 3.014 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.658 1.795 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.827 3.456 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.966 4.705 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.607 2.898 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.967 2.358 3.718 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.793 5.017 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.113 2.885 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.847 3.995 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.110 6.514 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.414 6.059 5.179 1.00 0.00 H new ATOM 583 N ARG A 36 -6.751 1.535 -0.992 1.00 0.00 N ATOM 584 CA ARG A 36 -5.611 0.987 -1.700 1.00 0.00 C ATOM 585 C ARG A 36 -5.494 1.544 -3.091 1.00 0.00 C ATOM 586 O ARG A 36 -4.391 1.750 -3.593 1.00 0.00 O ATOM 587 CB ARG A 36 -5.692 -0.544 -1.847 1.00 0.00 C ATOM 588 CG ARG A 36 -4.397 -1.198 -2.356 1.00 0.00 C ATOM 589 CD ARG A 36 -4.403 -2.725 -2.210 1.00 0.00 C ATOM 590 NE ARG A 36 -4.501 -3.044 -0.747 1.00 0.00 N ATOM 591 CZ ARG A 36 -4.795 -4.286 -0.262 1.00 0.00 C ATOM 592 NH1 ARG A 36 -4.983 -5.345 -1.098 1.00 0.00 N ATOM 593 NH2 ARG A 36 -4.907 -4.459 1.088 1.00 0.00 N ATOM 0 H ARG A 36 -7.432 0.825 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.747 1.265 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.949 -0.977 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.503 -0.789 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.253 -0.939 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.549 -0.789 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.243 -3.158 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.495 -3.153 -2.635 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.339 -2.291 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.905 -5.218 -2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.202 -6.265 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.772 -3.667 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.126 -5.380 1.468 1.00 0.00 H new ATOM 607 N GLN A 37 -6.654 1.819 -3.735 1.00 0.00 N ATOM 608 CA GLN A 37 -6.690 2.384 -5.065 1.00 0.00 C ATOM 609 C GLN A 37 -6.636 3.887 -4.990 1.00 0.00 C ATOM 610 O GLN A 37 -6.540 4.554 -6.018 1.00 0.00 O ATOM 611 CB GLN A 37 -7.918 1.954 -5.901 1.00 0.00 C ATOM 612 CG GLN A 37 -9.246 2.542 -5.406 1.00 0.00 C ATOM 613 CD GLN A 37 -10.436 1.897 -6.124 1.00 0.00 C ATOM 614 OE1 GLN A 37 -10.274 1.062 -7.022 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.671 2.311 -5.701 1.00 0.00 N ATOM 0 H GLN A 37 -7.575 1.649 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.813 1.990 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.763 2.255 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.988 0.866 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.338 2.387 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.256 3.619 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.749 3.003 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.513 1.927 -6.131 1.00 0.00 H new ATOM 624 N SER A 38 -6.668 4.460 -3.759 1.00 0.00 N ATOM 625 CA SER A 38 -6.422 5.873 -3.566 1.00 0.00 C ATOM 626 C SER A 38 -4.947 6.064 -3.324 1.00 0.00 C ATOM 627 O SER A 38 -4.413 7.143 -3.559 1.00 0.00 O ATOM 628 CB SER A 38 -7.215 6.443 -2.376 1.00 0.00 C ATOM 629 OG SER A 38 -7.206 7.865 -2.350 1.00 0.00 O ATOM 0 H SER A 38 -6.864 3.947 -2.899 1.00 0.00 H new ATOM 0 HA SER A 38 -6.749 6.407 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.245 6.090 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.793 6.063 -1.446 1.00 0.00 H new ATOM 0 HG SER A 38 -7.722 8.181 -1.579 1.00 0.00 H new ATOM 635 N LEU A 39 -4.238 4.993 -2.884 1.00 0.00 N ATOM 636 CA LEU A 39 -2.796 4.990 -2.778 1.00 0.00 C ATOM 637 C LEU A 39 -2.261 4.793 -4.172 1.00 0.00 C ATOM 638 O LEU A 39 -1.156 5.222 -4.489 1.00 0.00 O ATOM 639 CB LEU A 39 -2.202 3.865 -1.890 1.00 0.00 C ATOM 640 CG LEU A 39 -2.852 3.652 -0.502 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.021 2.664 0.341 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.147 4.943 0.283 1.00 0.00 C ATOM 0 H LEU A 39 -4.672 4.116 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.510 5.931 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.266 2.927 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.143 4.075 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.833 3.223 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.494 2.528 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.965 1.705 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.015 3.061 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.601 4.690 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.217 5.485 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.832 5.568 -0.290 1.00 0.00 H new ATOM 654 N ALA A 40 -3.073 4.150 -5.047 1.00 0.00 N ATOM 655 CA ALA A 40 -2.760 3.970 -6.441 1.00 0.00 C ATOM 656 C ALA A 40 -2.923 5.257 -7.195 1.00 0.00 C ATOM 657 O ALA A 40 -2.277 5.466 -8.216 1.00 0.00 O ATOM 658 CB ALA A 40 -3.683 2.952 -7.118 1.00 0.00 C ATOM 0 H ALA A 40 -3.970 3.746 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.729 3.617 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.407 2.852 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.584 1.986 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.716 3.293 -7.046 1.00 0.00 H new ATOM 664 N GLN A 41 -3.803 6.164 -6.707 1.00 0.00 N ATOM 665 CA GLN A 41 -4.037 7.427 -7.352 1.00 0.00 C ATOM 666 C GLN A 41 -2.872 8.350 -7.102 1.00 0.00 C ATOM 667 O GLN A 41 -2.471 9.111 -7.983 1.00 0.00 O ATOM 668 CB GLN A 41 -5.331 8.072 -6.797 1.00 0.00 C ATOM 669 CG GLN A 41 -5.766 9.387 -7.464 1.00 0.00 C ATOM 670 CD GLN A 41 -6.067 9.154 -8.950 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.976 8.389 -9.294 1.00 0.00 O ATOM 672 NE2 GLN A 41 -5.282 9.835 -9.840 1.00 0.00 N ATOM 0 H GLN A 41 -4.354 6.019 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.147 7.262 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.143 7.352 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.194 8.256 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.651 9.781 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.980 10.134 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.545 10.454 -9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.433 9.724 -10.843 1.00 0.00 H new ATOM 681 N GLU A 42 -2.315 8.297 -5.871 1.00 0.00 N ATOM 682 CA GLU A 42 -1.432 9.325 -5.363 1.00 0.00 C ATOM 683 C GLU A 42 0.011 9.042 -5.610 1.00 0.00 C ATOM 684 O GLU A 42 0.744 9.920 -6.063 1.00 0.00 O ATOM 685 CB GLU A 42 -1.636 9.583 -3.856 1.00 0.00 C ATOM 686 CG GLU A 42 -3.048 10.110 -3.554 1.00 0.00 C ATOM 687 CD GLU A 42 -3.224 11.521 -4.111 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.507 12.441 -3.636 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.083 11.698 -5.018 1.00 0.00 O ATOM 0 H GLU A 42 -2.477 7.532 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.707 10.218 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.467 8.659 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.896 10.304 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.792 9.445 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.218 10.114 -2.477 1.00 0.00 H new ATOM 696 N LEU A 43 0.451 7.795 -5.339 1.00 0.00 N ATOM 697 CA LEU A 43 1.791 7.336 -5.633 1.00 0.00 C ATOM 698 C LEU A 43 1.916 7.200 -7.123 1.00 0.00 C ATOM 699 O LEU A 43 2.989 7.387 -7.697 1.00 0.00 O ATOM 700 CB LEU A 43 2.078 5.955 -5.005 1.00 0.00 C ATOM 701 CG LEU A 43 1.854 5.917 -3.477 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.898 4.475 -2.948 1.00 0.00 C ATOM 703 CD2 LEU A 43 2.835 6.811 -2.699 1.00 0.00 C ATOM 0 H LEU A 43 -0.136 7.083 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 43 2.499 8.055 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.438 5.209 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.109 5.673 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 43 0.858 6.326 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.737 4.478 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.117 3.887 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.871 4.036 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.625 6.739 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.857 6.483 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.720 7.845 -3.023 1.00 0.00 H new ATOM 715 N GLY A 44 0.767 6.900 -7.766 1.00 0.00 N ATOM 716 CA GLY A 44 0.644 6.845 -9.203 1.00 0.00 C ATOM 717 C GLY A 44 0.935 5.451 -9.649 1.00 0.00 C ATOM 718 O GLY A 44 1.553 5.235 -10.691 1.00 0.00 O ATOM 0 H GLY A 44 -0.103 6.689 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.360 7.139 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.337 7.545 -9.670 1.00 0.00 H new ATOM 722 N LEU A 45 0.479 4.474 -8.837 1.00 0.00 N ATOM 723 CA LEU A 45 0.672 3.062 -9.089 1.00 0.00 C ATOM 724 C LEU A 45 -0.637 2.511 -9.584 1.00 0.00 C ATOM 725 O LEU A 45 -1.523 3.257 -9.999 1.00 0.00 O ATOM 726 CB LEU A 45 1.124 2.298 -7.821 1.00 0.00 C ATOM 727 CG LEU A 45 2.519 2.728 -7.311 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.700 2.307 -5.847 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.652 2.155 -8.180 1.00 0.00 C ATOM 0 H LEU A 45 -0.039 4.665 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 45 1.463 2.933 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.391 2.456 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.137 1.229 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 45 2.575 3.814 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.686 2.615 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.934 2.782 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.609 1.224 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.614 2.482 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.606 1.066 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.540 2.510 -9.204 1.00 0.00 H new ATOM 741 N ASN A 46 -0.773 1.165 -9.557 1.00 0.00 N ATOM 742 CA ASN A 46 -2.007 0.470 -9.823 1.00 0.00 C ATOM 743 C ASN A 46 -2.446 -0.057 -8.490 1.00 0.00 C ATOM 744 O ASN A 46 -1.797 0.179 -7.471 1.00 0.00 O ATOM 745 CB ASN A 46 -1.855 -0.724 -10.800 1.00 0.00 C ATOM 746 CG ASN A 46 -1.273 -0.224 -12.129 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.911 0.567 -12.835 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.033 -0.697 -12.464 1.00 0.00 N ATOM 0 H ASN A 46 0.003 0.538 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.713 1.152 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.202 -1.482 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.823 -1.196 -10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.409 -0.398 -13.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.449 -1.348 -11.844 1.00 0.00 H new ATOM 755 N GLU A 47 -3.577 -0.797 -8.469 1.00 0.00 N ATOM 756 CA GLU A 47 -4.085 -1.464 -7.292 1.00 0.00 C ATOM 757 C GLU A 47 -3.226 -2.651 -6.991 1.00 0.00 C ATOM 758 O GLU A 47 -2.934 -2.952 -5.838 1.00 0.00 O ATOM 759 CB GLU A 47 -5.520 -1.997 -7.497 1.00 0.00 C ATOM 760 CG GLU A 47 -6.443 -0.924 -8.085 1.00 0.00 C ATOM 761 CD GLU A 47 -7.904 -1.353 -7.961 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.365 -1.575 -6.811 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.581 -1.463 -9.020 1.00 0.00 O ATOM 0 H GLU A 47 -4.159 -0.938 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.081 -0.731 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.496 -2.861 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.921 -2.339 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.290 0.022 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.194 -0.756 -9.133 1.00 0.00 H new ATOM 770 N SER A 48 -2.831 -3.332 -8.088 1.00 0.00 N ATOM 771 CA SER A 48 -2.190 -4.625 -8.131 1.00 0.00 C ATOM 772 C SER A 48 -0.777 -4.594 -7.601 1.00 0.00 C ATOM 773 O SER A 48 -0.292 -5.601 -7.088 1.00 0.00 O ATOM 774 CB SER A 48 -2.179 -5.177 -9.581 1.00 0.00 C ATOM 775 OG SER A 48 -1.826 -6.556 -9.632 1.00 0.00 O ATOM 0 H SER A 48 -2.970 -2.949 -9.023 1.00 0.00 H new ATOM 0 HA SER A 48 -2.774 -5.280 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.164 -5.040 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.474 -4.601 -10.181 1.00 0.00 H new ATOM 0 HG SER A 48 -1.833 -6.861 -10.563 1.00 0.00 H new ATOM 781 N GLN A 49 -0.080 -3.436 -7.697 1.00 0.00 N ATOM 782 CA GLN A 49 1.277 -3.270 -7.239 1.00 0.00 C ATOM 783 C GLN A 49 1.319 -3.301 -5.737 1.00 0.00 C ATOM 784 O GLN A 49 2.154 -3.973 -5.135 1.00 0.00 O ATOM 785 CB GLN A 49 1.852 -1.902 -7.677 1.00 0.00 C ATOM 786 CG GLN A 49 1.840 -1.661 -9.200 1.00 0.00 C ATOM 787 CD GLN A 49 2.663 -2.728 -9.930 1.00 0.00 C ATOM 788 OE1 GLN A 49 2.110 -3.549 -10.671 1.00 0.00 O ATOM 789 NE2 GLN A 49 4.014 -2.699 -9.711 1.00 0.00 N ATOM 0 H GLN A 49 -0.473 -2.589 -8.106 1.00 0.00 H new ATOM 0 HA GLN A 49 1.864 -4.081 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.281 -1.110 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.878 -1.821 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.813 -1.675 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.243 -0.672 -9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.415 -1.998 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.620 -3.379 -10.171 1.00 0.00 H new ATOM 798 N ILE A 50 0.382 -2.551 -5.116 1.00 0.00 N ATOM 799 CA ILE A 50 0.309 -2.302 -3.701 1.00 0.00 C ATOM 800 C ILE A 50 -0.385 -3.466 -3.027 1.00 0.00 C ATOM 801 O ILE A 50 -0.222 -3.683 -1.831 1.00 0.00 O ATOM 802 CB ILE A 50 -0.408 -0.985 -3.402 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.076 0.081 -4.477 1.00 0.00 C ATOM 804 CG2 ILE A 50 0.012 -0.492 -2.002 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.744 1.433 -4.230 1.00 0.00 C ATOM 0 H ILE A 50 -0.368 -2.092 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 50 1.320 -2.209 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.485 -1.150 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.004 0.221 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.383 -0.293 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.495 0.447 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.263 -1.238 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.091 -0.337 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.465 2.127 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.827 1.308 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.417 1.830 -3.269 1.00 0.00 H new ATOM 817 N LYS A 51 -1.146 -4.276 -3.806 1.00 0.00 N ATOM 818 CA LYS A 51 -1.853 -5.460 -3.364 1.00 0.00 C ATOM 819 C LYS A 51 -0.882 -6.497 -2.901 1.00 0.00 C ATOM 820 O LYS A 51 -1.017 -7.055 -1.816 1.00 0.00 O ATOM 821 CB LYS A 51 -2.649 -6.086 -4.531 1.00 0.00 C ATOM 822 CG LYS A 51 -3.599 -7.228 -4.138 1.00 0.00 C ATOM 823 CD LYS A 51 -4.440 -7.752 -5.314 1.00 0.00 C ATOM 824 CE LYS A 51 -3.611 -8.431 -6.415 1.00 0.00 C ATOM 825 NZ LYS A 51 -4.487 -8.946 -7.493 1.00 0.00 N ATOM 0 H LYS A 51 -1.276 -4.095 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.522 -5.158 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.231 -5.301 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.942 -6.461 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.016 -8.050 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.267 -6.881 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.175 -8.462 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.995 -6.921 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.897 -7.719 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.033 -9.250 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.905 -9.400 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.152 -9.641 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.020 -8.158 -7.913 1.00 0.00 H new ATOM 839 N ILE A 52 0.140 -6.727 -3.751 1.00 0.00 N ATOM 840 CA ILE A 52 1.257 -7.613 -3.583 1.00 0.00 C ATOM 841 C ILE A 52 2.069 -7.212 -2.385 1.00 0.00 C ATOM 842 O ILE A 52 2.469 -8.060 -1.590 1.00 0.00 O ATOM 843 CB ILE A 52 2.070 -7.584 -4.872 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.298 -8.362 -5.968 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.499 -8.110 -4.654 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.921 -8.266 -7.364 1.00 0.00 C ATOM 0 H ILE A 52 0.186 -6.241 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 52 0.923 -8.634 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 52 2.192 -6.554 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.240 -9.412 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.276 -7.987 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.048 -8.074 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.006 -7.490 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.457 -9.139 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.320 -8.838 -8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.954 -7.222 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.933 -8.670 -7.339 1.00 0.00 H new ATOM 858 N TRP A 53 2.306 -5.892 -2.234 1.00 0.00 N ATOM 859 CA TRP A 53 3.056 -5.309 -1.143 1.00 0.00 C ATOM 860 C TRP A 53 2.393 -5.553 0.188 1.00 0.00 C ATOM 861 O TRP A 53 3.073 -5.913 1.142 1.00 0.00 O ATOM 862 CB TRP A 53 3.287 -3.788 -1.345 1.00 0.00 C ATOM 863 CG TRP A 53 4.338 -3.184 -0.429 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.688 -3.097 -0.626 1.00 0.00 C ATOM 865 CD2 TRP A 53 4.087 -2.676 0.895 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.299 -2.572 0.489 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.339 -2.315 1.440 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.916 -2.532 1.632 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.436 -1.812 2.731 1.00 0.00 C ATOM 870 CZ3 TRP A 53 3.023 -2.048 2.944 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.266 -1.695 3.486 1.00 0.00 C ATOM 0 H TRP A 53 1.963 -5.197 -2.897 1.00 0.00 H new ATOM 0 HA TRP A 53 4.026 -5.807 -1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.581 -3.612 -2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.343 -3.266 -1.188 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.201 -3.397 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.299 -2.401 0.593 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.956 -2.785 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.391 -1.519 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.133 -1.946 3.547 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.320 -1.328 4.500 1.00 0.00 H new ATOM 882 N PHE A 54 1.054 -5.390 0.280 1.00 0.00 N ATOM 883 CA PHE A 54 0.315 -5.587 1.502 1.00 0.00 C ATOM 884 C PHE A 54 0.165 -7.054 1.799 1.00 0.00 C ATOM 885 O PHE A 54 0.050 -7.415 2.964 1.00 0.00 O ATOM 886 CB PHE A 54 -1.093 -4.940 1.453 1.00 0.00 C ATOM 887 CG PHE A 54 -1.015 -3.463 1.750 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.545 -3.014 2.997 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.435 -2.506 0.811 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.452 -1.645 3.280 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.329 -1.137 1.084 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.815 -0.706 2.310 1.00 0.00 C ATOM 0 H PHE A 54 0.471 -5.116 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 54 0.888 -5.100 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.535 -5.095 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.747 -5.427 2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.252 -3.734 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.845 -2.831 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.100 -1.315 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.645 -0.414 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.699 0.349 2.508 1.00 0.00 H new ATOM 902 N GLN A 55 0.206 -7.939 0.771 1.00 0.00 N ATOM 903 CA GLN A 55 0.140 -9.375 0.934 1.00 0.00 C ATOM 904 C GLN A 55 1.397 -9.909 1.562 1.00 0.00 C ATOM 905 O GLN A 55 1.349 -10.926 2.249 1.00 0.00 O ATOM 906 CB GLN A 55 -0.084 -10.119 -0.407 1.00 0.00 C ATOM 907 CG GLN A 55 -1.561 -10.223 -0.832 1.00 0.00 C ATOM 908 CD GLN A 55 -2.327 -11.161 0.113 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.209 -10.726 0.863 1.00 0.00 O ATOM 910 NE2 GLN A 55 -1.974 -12.483 0.062 1.00 0.00 N ATOM 0 H GLN A 55 0.287 -7.648 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.716 -9.558 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.473 -9.607 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.331 -11.124 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.019 -9.234 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.626 -10.595 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.239 -12.790 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.446 -13.160 0.661 1.00 0.00 H new ATOM 919 N ASN A 56 2.542 -9.219 1.367 1.00 0.00 N ATOM 920 CA ASN A 56 3.803 -9.549 1.977 1.00 0.00 C ATOM 921 C ASN A 56 3.757 -9.214 3.442 1.00 0.00 C ATOM 922 O ASN A 56 4.149 -10.031 4.272 1.00 0.00 O ATOM 923 CB ASN A 56 4.975 -8.747 1.370 1.00 0.00 C ATOM 924 CG ASN A 56 5.211 -9.148 -0.092 1.00 0.00 C ATOM 925 OD1 ASN A 56 5.172 -10.332 -0.443 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.484 -8.119 -0.950 1.00 0.00 N ATOM 0 H ASN A 56 2.592 -8.400 0.761 1.00 0.00 H new ATOM 0 HA ASN A 56 3.965 -10.613 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.760 -7.680 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.881 -8.922 1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.668 -8.311 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.503 -7.159 -0.605 1.00 0.00 H new ATOM 933 N LYS A 57 3.266 -7.994 3.779 1.00 0.00 N ATOM 934 CA LYS A 57 3.231 -7.484 5.139 1.00 0.00 C ATOM 935 C LYS A 57 2.231 -8.191 6.017 1.00 0.00 C ATOM 936 O LYS A 57 2.435 -8.316 7.223 1.00 0.00 O ATOM 937 CB LYS A 57 2.903 -5.977 5.223 1.00 0.00 C ATOM 938 CG LYS A 57 3.827 -5.064 4.405 1.00 0.00 C ATOM 939 CD LYS A 57 5.337 -5.310 4.560 1.00 0.00 C ATOM 940 CE LYS A 57 5.880 -4.970 5.954 1.00 0.00 C ATOM 941 NZ LYS A 57 7.350 -5.143 6.002 1.00 0.00 N ATOM 0 H LYS A 57 2.883 -7.343 3.093 1.00 0.00 H new ATOM 0 HA LYS A 57 4.245 -7.669 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.877 -5.825 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.945 -5.669 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.569 -5.171 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.618 -4.030 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.549 -6.357 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.870 -4.716 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.622 -3.942 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.409 -5.611 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.696 -4.908 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.591 -6.130 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.797 -4.513 5.306 1.00 0.00 H new