USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 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 Set 1.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 17 GLN : amide:sc= -0.357 X(o=-0.36,f=0.018) USER MOD Single : A 19 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc=-0.00232 (180deg=-0.499) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 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= 0.396 USER MOD Single : A 34 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.079) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) 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 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc=-0.000229 (180deg=-0.0658) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 56 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.00037) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.664 0.337 -6.987 1.00 0.00 N ATOM 183 CA PHE A 13 8.715 1.359 -5.979 1.00 0.00 C ATOM 184 C PHE A 13 10.083 1.968 -5.862 1.00 0.00 C ATOM 185 O PHE A 13 11.087 1.415 -6.307 1.00 0.00 O ATOM 186 CB PHE A 13 8.359 0.823 -4.569 1.00 0.00 C ATOM 187 CG PHE A 13 7.047 0.087 -4.552 1.00 0.00 C ATOM 188 CD1 PHE A 13 5.856 0.787 -4.308 1.00 0.00 C ATOM 189 CD2 PHE A 13 6.985 -1.308 -4.735 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.632 0.115 -4.256 1.00 0.00 C ATOM 191 CE2 PHE A 13 5.755 -1.980 -4.699 1.00 0.00 C ATOM 192 CZ PHE A 13 4.574 -1.264 -4.464 1.00 0.00 C ATOM 0 HA PHE A 13 7.983 2.098 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.151 0.157 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.315 1.655 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.885 1.856 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.894 -1.866 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.725 0.666 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.718 -3.048 -4.852 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.624 -1.776 -4.444 1.00 0.00 H new ATOM 202 N THR A 14 10.120 3.148 -5.217 1.00 0.00 N ATOM 203 CA THR A 14 11.329 3.817 -4.801 1.00 0.00 C ATOM 204 C THR A 14 11.291 3.784 -3.297 1.00 0.00 C ATOM 205 O THR A 14 10.380 3.211 -2.708 1.00 0.00 O ATOM 206 CB THR A 14 11.486 5.237 -5.338 1.00 0.00 C ATOM 207 OG1 THR A 14 10.394 6.080 -4.988 1.00 0.00 O ATOM 208 CG2 THR A 14 11.609 5.169 -6.874 1.00 0.00 C ATOM 0 H THR A 14 9.275 3.664 -4.972 1.00 0.00 H new ATOM 0 HA THR A 14 12.200 3.307 -5.213 1.00 0.00 H new ATOM 0 HB THR A 14 12.380 5.669 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.543 6.977 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.722 6.176 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.480 4.571 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.712 4.711 -7.291 1.00 0.00 H new ATOM 216 N ALA A 15 12.290 4.409 -2.632 1.00 0.00 N ATOM 217 CA ALA A 15 12.367 4.473 -1.189 1.00 0.00 C ATOM 218 C ALA A 15 11.328 5.414 -0.634 1.00 0.00 C ATOM 219 O ALA A 15 10.882 5.249 0.499 1.00 0.00 O ATOM 220 CB ALA A 15 13.751 4.947 -0.709 1.00 0.00 C ATOM 0 H ALA A 15 13.062 4.881 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 15 12.189 3.461 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.766 4.981 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.515 4.254 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.953 5.942 -1.106 1.00 0.00 H new ATOM 226 N GLU A 16 10.907 6.412 -1.452 1.00 0.00 N ATOM 227 CA GLU A 16 9.921 7.411 -1.129 1.00 0.00 C ATOM 228 C GLU A 16 8.534 6.831 -1.111 1.00 0.00 C ATOM 229 O GLU A 16 7.647 7.339 -0.427 1.00 0.00 O ATOM 230 CB GLU A 16 9.908 8.528 -2.197 1.00 0.00 C ATOM 231 CG GLU A 16 11.260 9.246 -2.344 1.00 0.00 C ATOM 232 CD GLU A 16 11.140 10.328 -3.415 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.940 9.963 -4.606 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.249 11.533 -3.062 1.00 0.00 O ATOM 0 H GLU A 16 11.279 6.525 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 16 10.189 7.799 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.626 8.098 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.142 9.259 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.555 9.690 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.037 8.532 -2.617 1.00 0.00 H new ATOM 241 N GLN A 17 8.320 5.750 -1.891 1.00 0.00 N ATOM 242 CA GLN A 17 7.030 5.146 -2.078 1.00 0.00 C ATOM 243 C GLN A 17 6.796 4.126 -0.999 1.00 0.00 C ATOM 244 O GLN A 17 5.726 4.108 -0.393 1.00 0.00 O ATOM 245 CB GLN A 17 6.915 4.481 -3.464 1.00 0.00 C ATOM 246 CG GLN A 17 6.943 5.511 -4.611 1.00 0.00 C ATOM 247 CD GLN A 17 6.941 4.811 -5.976 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.887 4.954 -6.758 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.844 4.045 -6.257 1.00 0.00 N ATOM 0 H GLN A 17 9.066 5.282 -2.407 1.00 0.00 H new ATOM 0 HA GLN A 17 6.273 5.928 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.734 3.773 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.988 3.909 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.078 6.170 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.830 6.138 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.091 3.962 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.778 3.556 -7.150 1.00 0.00 H new ATOM 258 N LEU A 18 7.811 3.272 -0.721 1.00 0.00 N ATOM 259 CA LEU A 18 7.783 2.212 0.262 1.00 0.00 C ATOM 260 C LEU A 18 7.553 2.708 1.667 1.00 0.00 C ATOM 261 O LEU A 18 6.805 2.084 2.415 1.00 0.00 O ATOM 262 CB LEU A 18 9.118 1.434 0.274 1.00 0.00 C ATOM 263 CG LEU A 18 9.383 0.615 -1.009 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.860 0.197 -1.109 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.457 -0.607 -1.139 1.00 0.00 C ATOM 0 H LEU A 18 8.704 3.323 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 18 6.950 1.575 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.936 2.140 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.125 0.760 1.130 1.00 0.00 H new ATOM 0 HG LEU A 18 9.153 1.274 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.014 -0.378 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.489 1.087 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.124 -0.415 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.689 -1.143 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.606 -1.269 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.419 -0.276 -1.165 1.00 0.00 H new ATOM 277 N GLN A 19 8.186 3.847 2.052 1.00 0.00 N ATOM 278 CA GLN A 19 8.117 4.402 3.392 1.00 0.00 C ATOM 279 C GLN A 19 6.746 4.915 3.715 1.00 0.00 C ATOM 280 O GLN A 19 6.314 4.910 4.868 1.00 0.00 O ATOM 281 CB GLN A 19 9.168 5.517 3.628 1.00 0.00 C ATOM 282 CG GLN A 19 9.064 6.807 2.782 1.00 0.00 C ATOM 283 CD GLN A 19 8.077 7.830 3.373 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.917 7.931 4.595 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.415 8.612 2.467 1.00 0.00 N ATOM 0 H GLN A 19 8.762 4.399 1.417 1.00 0.00 H new ATOM 0 HA GLN A 19 8.347 3.577 4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.121 5.803 4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.155 5.086 3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.050 7.264 2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.750 6.549 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.583 8.489 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.754 9.318 2.790 1.00 0.00 H new ATOM 294 N ARG A 20 6.033 5.355 2.661 1.00 0.00 N ATOM 295 CA ARG A 20 4.701 5.894 2.719 1.00 0.00 C ATOM 296 C ARG A 20 3.695 4.798 2.955 1.00 0.00 C ATOM 297 O ARG A 20 2.712 5.004 3.663 1.00 0.00 O ATOM 298 CB ARG A 20 4.353 6.654 1.421 1.00 0.00 C ATOM 299 CG ARG A 20 3.327 7.780 1.634 1.00 0.00 C ATOM 300 CD ARG A 20 3.009 8.598 0.368 1.00 0.00 C ATOM 301 NE ARG A 20 4.276 9.067 -0.290 1.00 0.00 N ATOM 302 CZ ARG A 20 5.001 10.150 0.130 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.575 10.930 1.165 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.175 10.450 -0.499 1.00 0.00 N ATOM 0 H ARG A 20 6.405 5.335 1.712 1.00 0.00 H new ATOM 0 HA ARG A 20 4.663 6.596 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.265 7.077 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.961 5.948 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.402 7.345 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.701 8.455 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.434 7.989 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.389 9.456 0.629 1.00 0.00 H new ATOM 0 HE ARG A 20 4.617 8.547 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.701 10.711 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.131 11.732 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.502 9.870 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.725 11.254 -0.196 1.00 0.00 H new ATOM 318 N LEU A 21 3.938 3.591 2.388 1.00 0.00 N ATOM 319 CA LEU A 21 3.079 2.434 2.543 1.00 0.00 C ATOM 320 C LEU A 21 3.219 1.815 3.903 1.00 0.00 C ATOM 321 O LEU A 21 2.311 1.125 4.359 1.00 0.00 O ATOM 322 CB LEU A 21 3.410 1.303 1.547 1.00 0.00 C ATOM 323 CG LEU A 21 3.255 1.696 0.070 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.765 0.566 -0.841 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.807 2.091 -0.281 1.00 0.00 C ATOM 0 H LEU A 21 4.755 3.411 1.804 1.00 0.00 H new ATOM 0 HA LEU A 21 2.075 2.821 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.435 0.973 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.762 0.451 1.754 1.00 0.00 H new ATOM 0 HG LEU A 21 3.867 2.582 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.649 0.859 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.818 0.378 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.190 -0.341 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.749 2.360 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.142 1.250 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.504 2.943 0.328 1.00 0.00 H new ATOM 337 N LYS A 22 4.367 2.050 4.578 1.00 0.00 N ATOM 338 CA LYS A 22 4.653 1.548 5.900 1.00 0.00 C ATOM 339 C LYS A 22 4.013 2.442 6.927 1.00 0.00 C ATOM 340 O LYS A 22 3.748 2.007 8.045 1.00 0.00 O ATOM 341 CB LYS A 22 6.173 1.487 6.154 1.00 0.00 C ATOM 342 CG LYS A 22 6.843 0.390 5.313 1.00 0.00 C ATOM 343 CD LYS A 22 8.341 0.589 5.022 1.00 0.00 C ATOM 344 CE LYS A 22 9.295 0.371 6.209 1.00 0.00 C ATOM 345 NZ LYS A 22 9.237 1.477 7.195 1.00 0.00 N ATOM 0 H LYS A 22 5.126 2.610 4.190 1.00 0.00 H new ATOM 0 HA LYS A 22 4.248 0.539 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.621 2.452 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.359 1.300 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.716 -0.563 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.315 0.314 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.628 -0.092 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.486 1.602 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.044 -0.567 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.315 0.273 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.122 1.502 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.113 2.381 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.436 1.325 7.840 1.00 0.00 H new ATOM 359 N ALA A 23 3.716 3.707 6.543 1.00 0.00 N ATOM 360 CA ALA A 23 2.977 4.647 7.352 1.00 0.00 C ATOM 361 C ALA A 23 1.502 4.341 7.270 1.00 0.00 C ATOM 362 O ALA A 23 0.767 4.554 8.234 1.00 0.00 O ATOM 363 CB ALA A 23 3.194 6.104 6.902 1.00 0.00 C ATOM 0 H ALA A 23 3.999 4.089 5.640 1.00 0.00 H new ATOM 0 HA ALA A 23 3.343 4.543 8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.617 6.772 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.252 6.354 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.866 6.218 5.869 1.00 0.00 H new ATOM 369 N GLU A 24 1.044 3.795 6.111 1.00 0.00 N ATOM 370 CA GLU A 24 -0.319 3.359 5.902 1.00 0.00 C ATOM 371 C GLU A 24 -0.550 2.073 6.652 1.00 0.00 C ATOM 372 O GLU A 24 -1.615 1.903 7.236 1.00 0.00 O ATOM 373 CB GLU A 24 -0.678 3.113 4.411 1.00 0.00 C ATOM 374 CG GLU A 24 -1.324 4.309 3.681 1.00 0.00 C ATOM 375 CD GLU A 24 -0.339 5.445 3.415 1.00 0.00 C ATOM 376 OE1 GLU A 24 -0.039 6.217 4.366 1.00 0.00 O ATOM 377 OE2 GLU A 24 0.116 5.567 2.246 1.00 0.00 O ATOM 0 H GLU A 24 1.641 3.653 5.296 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.954 4.168 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.230 2.831 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.358 2.263 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.742 3.968 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.154 4.687 4.278 1.00 0.00 H new ATOM 384 N PHE A 25 0.449 1.154 6.661 1.00 0.00 N ATOM 385 CA PHE A 25 0.391 -0.152 7.285 1.00 0.00 C ATOM 386 C PHE A 25 0.363 -0.020 8.790 1.00 0.00 C ATOM 387 O PHE A 25 -0.226 -0.851 9.477 1.00 0.00 O ATOM 388 CB PHE A 25 1.615 -1.017 6.854 1.00 0.00 C ATOM 389 CG PHE A 25 1.605 -2.438 7.382 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.492 -3.281 7.208 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.734 -2.942 8.052 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.499 -4.587 7.715 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.745 -4.246 8.558 1.00 0.00 C ATOM 394 CZ PHE A 25 1.623 -5.066 8.402 1.00 0.00 C ATOM 0 H PHE A 25 1.346 1.330 6.209 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.524 -0.645 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.654 -1.049 5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.527 -0.525 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.376 -2.918 6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.604 -2.314 8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.362 -5.225 7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.620 -4.620 9.069 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.623 -6.066 8.810 1.00 0.00 H new ATOM 404 N GLN A 26 0.988 1.052 9.329 1.00 0.00 N ATOM 405 CA GLN A 26 1.073 1.321 10.744 1.00 0.00 C ATOM 406 C GLN A 26 -0.278 1.675 11.303 1.00 0.00 C ATOM 407 O GLN A 26 -0.683 1.151 12.340 1.00 0.00 O ATOM 408 CB GLN A 26 2.051 2.485 11.025 1.00 0.00 C ATOM 409 CG GLN A 26 2.305 2.756 12.517 1.00 0.00 C ATOM 410 CD GLN A 26 3.342 3.877 12.647 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.074 5.025 12.267 1.00 0.00 O ATOM 412 NE2 GLN A 26 4.549 3.528 13.190 1.00 0.00 N ATOM 0 H GLN A 26 1.452 1.759 8.759 1.00 0.00 H new ATOM 0 HA GLN A 26 1.440 0.415 11.227 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.003 2.268 10.541 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.659 3.392 10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.377 3.042 13.012 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.663 1.852 13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.716 2.566 13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.281 4.230 13.298 1.00 0.00 H new ATOM 421 N THR A 27 -1.009 2.573 10.600 1.00 0.00 N ATOM 422 CA THR A 27 -2.293 3.080 11.024 1.00 0.00 C ATOM 423 C THR A 27 -3.337 2.030 10.763 1.00 0.00 C ATOM 424 O THR A 27 -3.877 1.423 11.687 1.00 0.00 O ATOM 425 CB THR A 27 -2.650 4.390 10.333 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.609 5.339 10.535 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.968 4.963 10.903 1.00 0.00 C ATOM 0 H THR A 27 -0.698 2.959 9.709 1.00 0.00 H new ATOM 0 HA THR A 27 -2.247 3.300 12.091 1.00 0.00 H new ATOM 0 HB THR A 27 -2.775 4.194 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.841 6.180 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.207 5.899 10.397 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.775 4.248 10.743 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.853 5.147 11.971 1.00 0.00 H new ATOM 435 N ASN A 28 -3.615 1.802 9.469 1.00 0.00 N ATOM 436 CA ASN A 28 -4.590 0.875 8.973 1.00 0.00 C ATOM 437 C ASN A 28 -3.841 -0.363 8.597 1.00 0.00 C ATOM 438 O ASN A 28 -3.129 -0.405 7.596 1.00 0.00 O ATOM 439 CB ASN A 28 -5.285 1.423 7.714 1.00 0.00 C ATOM 440 CG ASN A 28 -6.203 2.590 8.103 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.784 3.753 8.100 1.00 0.00 O ATOM 442 ND2 ASN A 28 -7.486 2.254 8.444 1.00 0.00 N ATOM 0 H ASN A 28 -3.130 2.295 8.720 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.353 0.693 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.541 1.757 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.865 0.635 7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.149 2.981 8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.778 1.277 8.429 1.00 0.00 H new ATOM 449 N ARG A 29 -3.989 -1.415 9.427 1.00 0.00 N ATOM 450 CA ARG A 29 -3.207 -2.615 9.345 1.00 0.00 C ATOM 451 C ARG A 29 -3.661 -3.451 8.189 1.00 0.00 C ATOM 452 O ARG A 29 -2.891 -3.735 7.272 1.00 0.00 O ATOM 453 CB ARG A 29 -3.353 -3.431 10.644 1.00 0.00 C ATOM 454 CG ARG A 29 -2.335 -4.570 10.804 1.00 0.00 C ATOM 455 CD ARG A 29 -0.872 -4.104 10.856 1.00 0.00 C ATOM 456 NE ARG A 29 -0.655 -3.243 12.064 1.00 0.00 N ATOM 457 CZ ARG A 29 0.529 -2.602 12.305 1.00 0.00 C ATOM 458 NH1 ARG A 29 1.594 -2.749 11.464 1.00 0.00 N ATOM 459 NH2 ARG A 29 0.647 -1.799 13.404 1.00 0.00 N ATOM 0 H ARG A 29 -4.676 -1.431 10.181 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.163 -2.337 9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.258 -2.755 11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.358 -3.852 10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.562 -5.120 11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.453 -5.267 9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.207 -4.967 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.626 -3.547 9.952 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.419 -3.131 12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.515 -3.345 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.469 -2.263 11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.144 -1.681 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.526 -1.317 13.592 1.00 0.00 H new ATOM 473 N TYR A 30 -4.956 -3.839 8.215 1.00 0.00 N ATOM 474 CA TYR A 30 -5.595 -4.621 7.205 1.00 0.00 C ATOM 475 C TYR A 30 -6.269 -3.639 6.293 1.00 0.00 C ATOM 476 O TYR A 30 -7.494 -3.517 6.252 1.00 0.00 O ATOM 477 CB TYR A 30 -6.605 -5.608 7.827 1.00 0.00 C ATOM 478 CG TYR A 30 -5.836 -6.645 8.612 1.00 0.00 C ATOM 479 CD1 TYR A 30 -5.225 -7.723 7.949 1.00 0.00 C ATOM 480 CD2 TYR A 30 -5.657 -6.516 10.001 1.00 0.00 C ATOM 481 CE1 TYR A 30 -4.434 -8.641 8.651 1.00 0.00 C ATOM 482 CE2 TYR A 30 -4.866 -7.431 10.708 1.00 0.00 C ATOM 483 CZ TYR A 30 -4.247 -8.492 10.032 1.00 0.00 C ATOM 484 OH TYR A 30 -3.433 -9.407 10.738 1.00 0.00 O ATOM 0 H TYR A 30 -5.583 -3.592 8.981 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.879 -5.234 6.657 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.301 -5.079 8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.198 -6.086 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.367 -7.845 6.885 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.134 -5.703 10.528 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.968 -9.463 8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.733 -7.319 11.774 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.409 -9.159 11.686 1.00 0.00 H new ATOM 494 N LEU A 31 -5.411 -2.920 5.529 1.00 0.00 N ATOM 495 CA LEU A 31 -5.721 -1.948 4.515 1.00 0.00 C ATOM 496 C LEU A 31 -6.487 -2.625 3.417 1.00 0.00 C ATOM 497 O LEU A 31 -6.205 -3.764 3.051 1.00 0.00 O ATOM 498 CB LEU A 31 -4.426 -1.286 3.967 1.00 0.00 C ATOM 499 CG LEU A 31 -4.627 -0.190 2.891 1.00 0.00 C ATOM 500 CD1 LEU A 31 -3.766 1.056 3.161 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.370 -0.702 1.465 1.00 0.00 C ATOM 0 H LEU A 31 -4.403 -3.034 5.635 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.331 -1.154 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.882 -0.849 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.792 -2.067 3.548 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.677 0.093 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.942 1.796 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.033 1.480 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.713 0.776 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.526 0.109 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.344 -1.061 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.058 -1.518 1.242 1.00 0.00 H new ATOM 513 N THR A 32 -7.527 -1.926 2.921 1.00 0.00 N ATOM 514 CA THR A 32 -8.549 -2.478 2.078 1.00 0.00 C ATOM 515 C THR A 32 -8.149 -2.289 0.656 1.00 0.00 C ATOM 516 O THR A 32 -7.242 -1.524 0.361 1.00 0.00 O ATOM 517 CB THR A 32 -9.927 -1.875 2.341 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.030 -0.507 1.964 1.00 0.00 O ATOM 519 CG2 THR A 32 -10.214 -1.962 3.846 1.00 0.00 C ATOM 0 H THR A 32 -7.662 -0.934 3.115 1.00 0.00 H new ATOM 0 HA THR A 32 -8.641 -3.540 2.307 1.00 0.00 H new ATOM 0 HB THR A 32 -10.639 -2.440 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.934 -0.182 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.195 -1.536 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.198 -3.006 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.453 -1.406 4.394 1.00 0.00 H new ATOM 527 N GLU A 33 -8.865 -2.976 -0.252 1.00 0.00 N ATOM 528 CA GLU A 33 -8.711 -2.884 -1.683 1.00 0.00 C ATOM 529 C GLU A 33 -9.256 -1.576 -2.176 1.00 0.00 C ATOM 530 O GLU A 33 -8.906 -1.115 -3.261 1.00 0.00 O ATOM 531 CB GLU A 33 -9.518 -3.983 -2.414 1.00 0.00 C ATOM 532 CG GLU A 33 -8.988 -5.409 -2.182 1.00 0.00 C ATOM 533 CD GLU A 33 -9.265 -5.939 -0.774 1.00 0.00 C ATOM 534 OE1 GLU A 33 -10.466 -6.047 -0.407 1.00 0.00 O ATOM 535 OE2 GLU A 33 -8.279 -6.242 -0.050 1.00 0.00 O ATOM 0 H GLU A 33 -9.594 -3.635 0.022 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.646 -2.989 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.557 -3.935 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.511 -3.774 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.442 -6.080 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.913 -5.423 -2.362 1.00 0.00 H new ATOM 542 N GLN A 34 -10.149 -0.976 -1.363 1.00 0.00 N ATOM 543 CA GLN A 34 -10.904 0.209 -1.696 1.00 0.00 C ATOM 544 C GLN A 34 -10.080 1.441 -1.412 1.00 0.00 C ATOM 545 O GLN A 34 -10.024 2.359 -2.225 1.00 0.00 O ATOM 546 CB GLN A 34 -12.251 0.282 -0.929 1.00 0.00 C ATOM 547 CG GLN A 34 -13.433 0.813 -1.769 1.00 0.00 C ATOM 548 CD GLN A 34 -13.149 2.220 -2.309 1.00 0.00 C ATOM 549 OE1 GLN A 34 -13.120 3.195 -1.548 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.916 2.309 -3.656 1.00 0.00 N ATOM 0 H GLN A 34 -10.358 -1.329 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.138 0.159 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.500 -0.713 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.124 0.922 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.624 0.134 -2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.336 0.831 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.953 1.471 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.706 3.213 -4.079 1.00 0.00 H new ATOM 559 N ARG A 35 -9.396 1.478 -0.244 1.00 0.00 N ATOM 560 CA ARG A 35 -8.525 2.565 0.147 1.00 0.00 C ATOM 561 C ARG A 35 -7.213 2.445 -0.571 1.00 0.00 C ATOM 562 O ARG A 35 -6.524 3.439 -0.785 1.00 0.00 O ATOM 563 CB ARG A 35 -8.234 2.595 1.659 1.00 0.00 C ATOM 564 CG ARG A 35 -9.464 3.007 2.492 1.00 0.00 C ATOM 565 CD ARG A 35 -9.278 3.191 4.010 1.00 0.00 C ATOM 566 NE ARG A 35 -7.980 3.888 4.323 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.840 3.187 4.613 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.869 1.824 4.602 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.680 3.848 4.885 1.00 0.00 N ATOM 0 H ARG A 35 -9.448 0.732 0.450 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.048 3.484 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.896 1.610 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.418 3.291 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.844 3.944 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.239 2.256 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.110 3.769 4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.298 2.218 4.501 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.949 4.908 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.735 1.334 4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.024 1.294 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.659 4.868 4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.832 3.323 5.101 1.00 0.00 H new ATOM 583 N ARG A 36 -6.863 1.212 -0.998 1.00 0.00 N ATOM 584 CA ARG A 36 -5.800 0.950 -1.953 1.00 0.00 C ATOM 585 C ARG A 36 -5.965 1.643 -3.297 1.00 0.00 C ATOM 586 O ARG A 36 -4.985 1.844 -4.012 1.00 0.00 O ATOM 587 CB ARG A 36 -5.618 -0.555 -2.199 1.00 0.00 C ATOM 588 CG ARG A 36 -4.271 -0.946 -2.813 1.00 0.00 C ATOM 589 CD ARG A 36 -4.048 -2.463 -2.793 1.00 0.00 C ATOM 590 NE ARG A 36 -3.898 -2.903 -1.361 1.00 0.00 N ATOM 591 CZ ARG A 36 -4.600 -3.929 -0.789 1.00 0.00 C ATOM 592 NH1 ARG A 36 -5.443 -4.713 -1.515 1.00 0.00 N ATOM 593 NH2 ARG A 36 -4.457 -4.169 0.547 1.00 0.00 N ATOM 0 H ARG A 36 -7.329 0.365 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.914 1.372 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.736 -1.081 -1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.415 -0.901 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.223 -0.586 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.467 -0.454 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.888 -2.976 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.157 -2.723 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.228 -2.402 -0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.565 -4.543 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.953 -5.471 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.833 -3.587 1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.974 -4.930 0.987 1.00 0.00 H new ATOM 607 N GLN A 37 -7.206 2.058 -3.663 1.00 0.00 N ATOM 608 CA GLN A 37 -7.472 2.782 -4.894 1.00 0.00 C ATOM 609 C GLN A 37 -7.112 4.231 -4.759 1.00 0.00 C ATOM 610 O GLN A 37 -6.968 4.933 -5.756 1.00 0.00 O ATOM 611 CB GLN A 37 -8.953 2.758 -5.337 1.00 0.00 C ATOM 612 CG GLN A 37 -9.463 1.324 -5.493 1.00 0.00 C ATOM 613 CD GLN A 37 -10.828 1.285 -6.186 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.372 2.312 -6.607 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.390 0.042 -6.297 1.00 0.00 N ATOM 0 H GLN A 37 -8.039 1.890 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.863 2.266 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.563 3.285 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.061 3.290 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.744 0.742 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.539 0.855 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.899 -0.774 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.300 -0.068 -6.744 1.00 0.00 H new ATOM 624 N SER A 38 -6.952 4.703 -3.504 1.00 0.00 N ATOM 625 CA SER A 38 -6.558 6.058 -3.206 1.00 0.00 C ATOM 626 C SER A 38 -5.061 6.106 -3.196 1.00 0.00 C ATOM 627 O SER A 38 -4.470 7.140 -3.501 1.00 0.00 O ATOM 628 CB SER A 38 -7.037 6.551 -1.828 1.00 0.00 C ATOM 629 OG SER A 38 -8.451 6.468 -1.727 1.00 0.00 O ATOM 0 H SER A 38 -7.100 4.130 -2.673 1.00 0.00 H new ATOM 0 HA SER A 38 -7.011 6.698 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.576 5.953 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.717 7.581 -1.674 1.00 0.00 H new ATOM 0 HG SER A 38 -8.735 6.784 -0.844 1.00 0.00 H new ATOM 635 N LEU A 39 -4.417 4.955 -2.868 1.00 0.00 N ATOM 636 CA LEU A 39 -2.981 4.806 -2.905 1.00 0.00 C ATOM 637 C LEU A 39 -2.527 4.668 -4.338 1.00 0.00 C ATOM 638 O LEU A 39 -1.367 4.926 -4.658 1.00 0.00 O ATOM 639 CB LEU A 39 -2.448 3.569 -2.148 1.00 0.00 C ATOM 640 CG LEU A 39 -3.000 3.325 -0.725 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.187 2.203 -0.055 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.108 4.565 0.178 1.00 0.00 C ATOM 0 H LEU A 39 -4.906 4.111 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.587 5.697 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.661 2.686 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.363 3.655 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.040 3.025 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.571 2.025 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.274 1.290 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.139 2.498 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.507 4.274 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.120 5.007 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.774 5.294 -0.283 1.00 0.00 H new ATOM 654 N ALA A 40 -3.462 4.266 -5.237 1.00 0.00 N ATOM 655 CA ALA A 40 -3.237 4.185 -6.660 1.00 0.00 C ATOM 656 C ALA A 40 -3.163 5.563 -7.269 1.00 0.00 C ATOM 657 O ALA A 40 -2.503 5.760 -8.286 1.00 0.00 O ATOM 658 CB ALA A 40 -4.347 3.402 -7.386 1.00 0.00 C ATOM 0 H ALA A 40 -4.405 3.989 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.291 3.658 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.131 3.370 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.391 2.386 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.305 3.895 -7.225 1.00 0.00 H new ATOM 664 N GLN A 41 -3.826 6.566 -6.645 1.00 0.00 N ATOM 665 CA GLN A 41 -3.764 7.939 -7.097 1.00 0.00 C ATOM 666 C GLN A 41 -2.566 8.620 -6.485 1.00 0.00 C ATOM 667 O GLN A 41 -2.089 9.626 -7.006 1.00 0.00 O ATOM 668 CB GLN A 41 -5.017 8.756 -6.694 1.00 0.00 C ATOM 669 CG GLN A 41 -6.351 8.150 -7.170 1.00 0.00 C ATOM 670 CD GLN A 41 -6.354 7.984 -8.695 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.289 8.973 -9.435 1.00 0.00 O ATOM 672 NE2 GLN A 41 -6.431 6.700 -9.162 1.00 0.00 N ATOM 0 H GLN A 41 -4.410 6.427 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.700 7.906 -8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.041 8.850 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.925 9.764 -7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.508 7.183 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.178 8.793 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.483 5.921 -8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.437 6.522 -10.166 1.00 0.00 H new ATOM 681 N GLU A 42 -2.074 8.079 -5.345 1.00 0.00 N ATOM 682 CA GLU A 42 -1.130 8.728 -4.473 1.00 0.00 C ATOM 683 C GLU A 42 0.258 8.709 -5.021 1.00 0.00 C ATOM 684 O GLU A 42 0.806 9.742 -5.402 1.00 0.00 O ATOM 685 CB GLU A 42 -1.133 8.063 -3.077 1.00 0.00 C ATOM 686 CG GLU A 42 -0.299 8.774 -1.996 1.00 0.00 C ATOM 687 CD GLU A 42 -0.418 7.992 -0.688 1.00 0.00 C ATOM 688 OE1 GLU A 42 -0.007 6.800 -0.674 1.00 0.00 O ATOM 689 OE2 GLU A 42 -0.912 8.574 0.313 1.00 0.00 O ATOM 0 H GLU A 42 -2.346 7.152 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.447 9.768 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.164 7.997 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.765 7.042 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.744 8.836 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.652 9.796 -1.858 1.00 0.00 H new ATOM 696 N LEU A 43 0.846 7.498 -5.072 1.00 0.00 N ATOM 697 CA LEU A 43 2.176 7.243 -5.553 1.00 0.00 C ATOM 698 C LEU A 43 2.131 7.279 -7.050 1.00 0.00 C ATOM 699 O LEU A 43 3.111 7.614 -7.714 1.00 0.00 O ATOM 700 CB LEU A 43 2.643 5.847 -5.098 1.00 0.00 C ATOM 701 CG LEU A 43 2.544 5.639 -3.569 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.837 4.179 -3.199 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.435 6.610 -2.773 1.00 0.00 C ATOM 0 H LEU A 43 0.370 6.651 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 43 2.867 7.989 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.043 5.089 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.676 5.696 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 43 1.517 5.869 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.762 4.055 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.114 3.527 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.843 3.916 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.323 6.416 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.477 6.467 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.137 7.636 -2.988 1.00 0.00 H new ATOM 715 N GLY A 44 0.936 6.954 -7.589 1.00 0.00 N ATOM 716 CA GLY A 44 0.628 7.039 -8.991 1.00 0.00 C ATOM 717 C GLY A 44 0.756 5.667 -9.555 1.00 0.00 C ATOM 718 O GLY A 44 1.226 5.487 -10.679 1.00 0.00 O ATOM 0 H GLY A 44 0.154 6.619 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.381 7.424 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.309 7.726 -9.493 1.00 0.00 H new ATOM 722 N LEU A 45 0.336 4.664 -8.753 1.00 0.00 N ATOM 723 CA LEU A 45 0.444 3.266 -9.121 1.00 0.00 C ATOM 724 C LEU A 45 -0.914 2.792 -9.562 1.00 0.00 C ATOM 725 O LEU A 45 -1.762 3.584 -9.966 1.00 0.00 O ATOM 726 CB LEU A 45 0.977 2.389 -7.960 1.00 0.00 C ATOM 727 CG LEU A 45 2.417 2.736 -7.527 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.715 2.100 -6.165 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.467 2.293 -8.559 1.00 0.00 C ATOM 0 H LEU A 45 -0.085 4.818 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 45 1.167 3.171 -9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.314 2.497 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.941 1.342 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 45 2.482 3.822 -7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.733 2.347 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.013 2.482 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.611 1.017 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.462 2.562 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.410 1.213 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.275 2.790 -9.510 1.00 0.00 H new ATOM 741 N ASN A 46 -1.138 1.460 -9.509 1.00 0.00 N ATOM 742 CA ASN A 46 -2.409 0.833 -9.752 1.00 0.00 C ATOM 743 C ASN A 46 -2.831 0.315 -8.408 1.00 0.00 C ATOM 744 O ASN A 46 -2.240 0.652 -7.384 1.00 0.00 O ATOM 745 CB ASN A 46 -2.315 -0.358 -10.742 1.00 0.00 C ATOM 746 CG ASN A 46 -1.746 0.136 -12.079 1.00 0.00 C ATOM 747 OD1 ASN A 46 -2.364 0.969 -12.752 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.543 -0.395 -12.459 1.00 0.00 N ATOM 0 H ASN A 46 -0.401 0.791 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.105 1.543 -10.199 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.677 -1.139 -10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.301 -0.798 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.113 -0.106 -13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.077 -1.080 -11.864 1.00 0.00 H new ATOM 755 N GLU A 47 -3.876 -0.543 -8.384 1.00 0.00 N ATOM 756 CA GLU A 47 -4.249 -1.315 -7.223 1.00 0.00 C ATOM 757 C GLU A 47 -3.259 -2.426 -7.065 1.00 0.00 C ATOM 758 O GLU A 47 -2.766 -2.688 -5.974 1.00 0.00 O ATOM 759 CB GLU A 47 -5.640 -1.970 -7.364 1.00 0.00 C ATOM 760 CG GLU A 47 -6.716 -0.934 -7.711 1.00 0.00 C ATOM 761 CD GLU A 47 -8.107 -1.539 -7.537 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.434 -1.960 -6.394 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.867 -1.585 -8.542 1.00 0.00 O ATOM 0 H GLU A 47 -4.478 -0.706 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.270 -0.634 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.606 -2.735 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.903 -2.472 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.609 -0.059 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.586 -0.594 -8.738 1.00 0.00 H new ATOM 770 N SER A 48 -2.986 -3.077 -8.217 1.00 0.00 N ATOM 771 CA SER A 48 -2.279 -4.325 -8.415 1.00 0.00 C ATOM 772 C SER A 48 -0.888 -4.373 -7.840 1.00 0.00 C ATOM 773 O SER A 48 -0.479 -5.405 -7.310 1.00 0.00 O ATOM 774 CB SER A 48 -2.152 -4.663 -9.919 1.00 0.00 C ATOM 775 OG SER A 48 -3.434 -4.731 -10.528 1.00 0.00 O ATOM 0 H SER A 48 -3.293 -2.689 -9.109 1.00 0.00 H new ATOM 0 HA SER A 48 -2.892 -5.049 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.547 -3.906 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.635 -5.615 -10.041 1.00 0.00 H new ATOM 0 HG SER A 48 -3.333 -4.944 -11.479 1.00 0.00 H new ATOM 781 N GLN A 49 -0.123 -3.259 -7.935 1.00 0.00 N ATOM 782 CA GLN A 49 1.256 -3.179 -7.517 1.00 0.00 C ATOM 783 C GLN A 49 1.355 -3.226 -6.018 1.00 0.00 C ATOM 784 O GLN A 49 2.225 -3.884 -5.449 1.00 0.00 O ATOM 785 CB GLN A 49 1.892 -1.839 -7.958 1.00 0.00 C ATOM 786 CG GLN A 49 1.667 -1.475 -9.439 1.00 0.00 C ATOM 787 CD GLN A 49 2.230 -2.559 -10.366 1.00 0.00 C ATOM 788 OE1 GLN A 49 1.470 -3.252 -11.053 1.00 0.00 O ATOM 789 NE2 GLN A 49 3.591 -2.692 -10.379 1.00 0.00 N ATOM 0 H GLN A 49 -0.477 -2.382 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 49 1.774 -4.022 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.489 -1.039 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.964 -1.881 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.601 -1.349 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.145 -0.520 -9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.168 -2.091 -9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.029 -3.392 -10.978 1.00 0.00 H new ATOM 798 N ILE A 50 0.423 -2.499 -5.365 1.00 0.00 N ATOM 799 CA ILE A 50 0.364 -2.275 -3.946 1.00 0.00 C ATOM 800 C ILE A 50 -0.374 -3.435 -3.309 1.00 0.00 C ATOM 801 O ILE A 50 -0.321 -3.624 -2.097 1.00 0.00 O ATOM 802 CB ILE A 50 -0.346 -0.962 -3.616 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.119 0.103 -4.721 1.00 0.00 C ATOM 804 CG2 ILE A 50 0.153 -0.450 -2.249 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.807 1.436 -4.428 1.00 0.00 C ATOM 0 H ILE A 50 -0.339 -2.037 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 50 1.379 -2.205 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.419 -1.145 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.951 0.273 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.486 -0.286 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.349 0.487 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.069 -1.190 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.229 -0.284 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.607 2.135 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.882 1.279 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.423 1.846 -3.494 1.00 0.00 H new ATOM 817 N LYS A 51 -1.075 -4.257 -4.132 1.00 0.00 N ATOM 818 CA LYS A 51 -1.874 -5.382 -3.702 1.00 0.00 C ATOM 819 C LYS A 51 -0.943 -6.457 -3.232 1.00 0.00 C ATOM 820 O LYS A 51 -1.154 -7.053 -2.183 1.00 0.00 O ATOM 821 CB LYS A 51 -2.773 -5.933 -4.842 1.00 0.00 C ATOM 822 CG LYS A 51 -4.178 -6.405 -4.419 1.00 0.00 C ATOM 823 CD LYS A 51 -4.206 -7.596 -3.449 1.00 0.00 C ATOM 824 CE LYS A 51 -5.620 -8.072 -3.075 1.00 0.00 C ATOM 825 NZ LYS A 51 -6.357 -8.572 -4.258 1.00 0.00 N ATOM 0 H LYS A 51 -1.085 -4.131 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.538 -5.054 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.884 -5.157 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.257 -6.768 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.700 -5.568 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.738 -6.674 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.662 -8.427 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.675 -7.321 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.553 -8.862 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.173 -7.250 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.250 -9.008 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.561 -7.780 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.778 -9.280 -4.754 1.00 0.00 H new ATOM 839 N ILE A 52 0.153 -6.668 -3.999 1.00 0.00 N ATOM 840 CA ILE A 52 1.226 -7.585 -3.744 1.00 0.00 C ATOM 841 C ILE A 52 1.929 -7.195 -2.477 1.00 0.00 C ATOM 842 O ILE A 52 2.179 -8.042 -1.622 1.00 0.00 O ATOM 843 CB ILE A 52 2.166 -7.565 -4.943 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.470 -8.222 -6.164 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.514 -8.223 -4.592 1.00 0.00 C ATOM 846 CD1 ILE A 52 2.226 -8.034 -7.482 1.00 0.00 C ATOM 0 H ILE A 52 0.295 -6.152 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 52 0.851 -8.600 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 52 2.393 -6.534 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.352 -9.289 -5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.469 -7.804 -6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.169 -8.197 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.981 -7.680 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.347 -9.258 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.678 -8.521 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.321 -6.970 -7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.218 -8.477 -7.399 1.00 0.00 H new ATOM 858 N TRP A 53 2.235 -5.886 -2.340 1.00 0.00 N ATOM 859 CA TRP A 53 2.929 -5.307 -1.211 1.00 0.00 C ATOM 860 C TRP A 53 2.213 -5.559 0.095 1.00 0.00 C ATOM 861 O TRP A 53 2.839 -5.957 1.073 1.00 0.00 O ATOM 862 CB TRP A 53 3.146 -3.779 -1.392 1.00 0.00 C ATOM 863 CG TRP A 53 4.200 -3.172 -0.480 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.536 -3.024 -0.720 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.973 -2.681 0.856 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.162 -2.479 0.375 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.222 -2.259 1.355 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.821 -2.587 1.634 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.340 -1.737 2.639 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.946 -2.085 2.937 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.188 -1.664 3.431 1.00 0.00 C ATOM 0 H TRP A 53 1.989 -5.194 -3.048 1.00 0.00 H new ATOM 0 HA TRP A 53 3.899 -5.803 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.427 -3.586 -2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.199 -3.269 -1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.031 -3.297 -1.640 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.158 -2.272 0.449 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.861 -2.892 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.294 -1.397 3.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.073 -2.022 3.569 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.257 -1.278 4.437 1.00 0.00 H new ATOM 882 N PHE A 54 0.877 -5.348 0.136 1.00 0.00 N ATOM 883 CA PHE A 54 0.093 -5.505 1.336 1.00 0.00 C ATOM 884 C PHE A 54 -0.203 -6.955 1.605 1.00 0.00 C ATOM 885 O PHE A 54 -0.390 -7.320 2.758 1.00 0.00 O ATOM 886 CB PHE A 54 -1.238 -4.714 1.286 1.00 0.00 C ATOM 887 CG PHE A 54 -1.027 -3.327 1.834 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.946 -3.123 3.224 1.00 0.00 C ATOM 889 CD2 PHE A 54 -0.887 -2.222 0.982 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.703 -1.846 3.745 1.00 0.00 C ATOM 891 CE2 PHE A 54 -0.616 -0.948 1.498 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.519 -0.762 2.880 1.00 0.00 C ATOM 0 H PHE A 54 0.331 -5.064 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 54 0.698 -5.098 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.600 -4.658 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.002 -5.232 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.072 -3.959 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.989 -2.355 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.658 -1.698 4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.482 -0.111 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.302 0.218 3.280 1.00 0.00 H new ATOM 902 N GLN A 55 -0.209 -7.840 0.577 1.00 0.00 N ATOM 903 CA GLN A 55 -0.405 -9.261 0.761 1.00 0.00 C ATOM 904 C GLN A 55 0.782 -9.893 1.435 1.00 0.00 C ATOM 905 O GLN A 55 0.638 -10.919 2.097 1.00 0.00 O ATOM 906 CB GLN A 55 -0.661 -9.998 -0.574 1.00 0.00 C ATOM 907 CG GLN A 55 -2.126 -9.896 -1.035 1.00 0.00 C ATOM 908 CD GLN A 55 -2.267 -10.537 -2.421 1.00 0.00 C ATOM 909 OE1 GLN A 55 -1.558 -10.157 -3.362 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.210 -11.519 -2.542 1.00 0.00 N ATOM 0 H GLN A 55 -0.076 -7.567 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.288 -9.361 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.012 -9.582 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.391 -11.048 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.780 -10.398 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.436 -8.852 -1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.767 -11.793 -1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.357 -11.977 -3.441 1.00 0.00 H new ATOM 919 N ASN A 56 1.976 -9.272 1.310 1.00 0.00 N ATOM 920 CA ASN A 56 3.172 -9.684 1.989 1.00 0.00 C ATOM 921 C ASN A 56 3.078 -9.283 3.439 1.00 0.00 C ATOM 922 O ASN A 56 3.188 -10.130 4.319 1.00 0.00 O ATOM 923 CB ASN A 56 4.440 -9.021 1.391 1.00 0.00 C ATOM 924 CG ASN A 56 4.658 -9.355 -0.095 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.999 -8.462 -0.879 1.00 0.00 O ATOM 926 ND2 ASN A 56 4.479 -10.657 -0.471 1.00 0.00 N ATOM 0 H ASN A 56 2.112 -8.455 0.715 1.00 0.00 H new ATOM 0 HA ASN A 56 3.258 -10.765 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.365 -7.940 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.312 -9.342 1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.628 -10.933 -1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.197 -11.353 0.219 1.00 0.00 H new ATOM 933 N LYS A 57 2.856 -7.972 3.707 1.00 0.00 N ATOM 934 CA LYS A 57 2.874 -7.379 5.030 1.00 0.00 C ATOM 935 C LYS A 57 1.798 -7.904 5.954 1.00 0.00 C ATOM 936 O LYS A 57 2.078 -8.194 7.116 1.00 0.00 O ATOM 937 CB LYS A 57 2.779 -5.833 4.968 1.00 0.00 C ATOM 938 CG LYS A 57 4.129 -5.084 4.977 1.00 0.00 C ATOM 939 CD LYS A 57 5.023 -5.254 3.739 1.00 0.00 C ATOM 940 CE LYS A 57 6.032 -6.405 3.831 1.00 0.00 C ATOM 941 NZ LYS A 57 6.865 -6.470 2.608 1.00 0.00 N ATOM 0 H LYS A 57 2.655 -7.293 2.972 1.00 0.00 H new ATOM 0 HA LYS A 57 3.836 -7.675 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.235 -5.556 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.186 -5.488 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.927 -4.021 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.693 -5.410 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.388 -5.415 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.567 -4.325 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.670 -6.267 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.504 -7.348 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.542 -7.256 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.255 -6.624 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.385 -5.576 2.494 1.00 0.00 H new