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 Set 1.1: A 46 ASN : amide:sc= 0.191 X(o=0.38,f=0) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.188 K(o=0.38,f=-0.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00349 K(o=-0.0035,f=-2.4) USER MOD Single : A 19 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.378 USER MOD Single : A 34 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.45) USER MOD Single : A 37 GLN : amide:sc=-0.00608 K(o=-0.0061,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 56 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= 0.643 (180deg=0.337) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.772 -0.704 -6.088 1.00 0.00 N ATOM 183 CA PHE A 13 8.547 0.651 -5.648 1.00 0.00 C ATOM 184 C PHE A 13 9.876 1.331 -5.502 1.00 0.00 C ATOM 185 O PHE A 13 10.926 0.707 -5.656 1.00 0.00 O ATOM 186 CB PHE A 13 7.841 0.678 -4.268 1.00 0.00 C ATOM 187 CG PHE A 13 6.438 0.124 -4.314 1.00 0.00 C ATOM 188 CD1 PHE A 13 5.658 0.040 -5.487 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.870 -0.309 -3.104 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.376 -0.513 -5.450 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.580 -0.843 -3.064 1.00 0.00 C ATOM 192 CZ PHE A 13 3.837 -0.953 -4.240 1.00 0.00 C ATOM 0 HA PHE A 13 7.917 1.155 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.430 0.103 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.809 1.704 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.056 0.407 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.440 -0.228 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.800 -0.600 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.159 -1.170 -2.125 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.845 -1.379 -4.214 1.00 0.00 H new ATOM 202 N THR A 14 9.840 2.653 -5.197 1.00 0.00 N ATOM 203 CA THR A 14 11.011 3.451 -4.919 1.00 0.00 C ATOM 204 C THR A 14 11.040 3.649 -3.426 1.00 0.00 C ATOM 205 O THR A 14 10.174 3.151 -2.712 1.00 0.00 O ATOM 206 CB THR A 14 11.044 4.784 -5.663 1.00 0.00 C ATOM 207 OG1 THR A 14 9.900 5.587 -5.388 1.00 0.00 O ATOM 208 CG2 THR A 14 11.115 4.497 -7.178 1.00 0.00 C ATOM 0 H THR A 14 8.970 3.182 -5.142 1.00 0.00 H new ATOM 0 HA THR A 14 11.899 2.930 -5.278 1.00 0.00 H new ATOM 0 HB THR A 14 11.918 5.340 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.965 6.430 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.139 5.439 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.017 3.926 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.239 3.923 -7.481 1.00 0.00 H new ATOM 216 N ALA A 15 12.051 4.390 -2.922 1.00 0.00 N ATOM 217 CA ALA A 15 12.269 4.626 -1.513 1.00 0.00 C ATOM 218 C ALA A 15 11.224 5.548 -0.944 1.00 0.00 C ATOM 219 O ALA A 15 10.847 5.417 0.219 1.00 0.00 O ATOM 220 CB ALA A 15 13.646 5.263 -1.250 1.00 0.00 C ATOM 0 H ALA A 15 12.746 4.844 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 15 12.213 3.650 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.773 5.425 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.430 4.598 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.711 6.218 -1.772 1.00 0.00 H new ATOM 226 N GLU A 16 10.729 6.495 -1.774 1.00 0.00 N ATOM 227 CA GLU A 16 9.770 7.504 -1.411 1.00 0.00 C ATOM 228 C GLU A 16 8.389 6.917 -1.293 1.00 0.00 C ATOM 229 O GLU A 16 7.566 7.392 -0.511 1.00 0.00 O ATOM 230 CB GLU A 16 9.720 8.613 -2.486 1.00 0.00 C ATOM 231 CG GLU A 16 11.070 9.326 -2.678 1.00 0.00 C ATOM 232 CD GLU A 16 10.936 10.398 -3.757 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.152 11.361 -3.544 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.619 10.271 -4.809 1.00 0.00 O ATOM 0 H GLU A 16 11.014 6.559 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 16 10.082 7.916 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.407 8.177 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.964 9.347 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.390 9.779 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.836 8.605 -2.961 1.00 0.00 H new ATOM 241 N GLN A 17 8.120 5.854 -2.084 1.00 0.00 N ATOM 242 CA GLN A 17 6.846 5.185 -2.146 1.00 0.00 C ATOM 243 C GLN A 17 6.697 4.279 -0.956 1.00 0.00 C ATOM 244 O GLN A 17 5.714 4.387 -0.225 1.00 0.00 O ATOM 245 CB GLN A 17 6.683 4.391 -3.457 1.00 0.00 C ATOM 246 CG GLN A 17 6.510 5.332 -4.663 1.00 0.00 C ATOM 247 CD GLN A 17 6.311 4.528 -5.950 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.525 3.311 -5.983 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.891 5.244 -7.038 1.00 0.00 N ATOM 0 H GLN A 17 8.817 5.444 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 17 6.060 5.940 -2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.555 3.756 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.818 3.732 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.653 5.986 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.387 5.973 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.729 6.248 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.740 4.774 -7.931 1.00 0.00 H new ATOM 258 N LEU A 18 7.706 3.398 -0.715 1.00 0.00 N ATOM 259 CA LEU A 18 7.812 2.494 0.409 1.00 0.00 C ATOM 260 C LEU A 18 7.611 3.180 1.734 1.00 0.00 C ATOM 261 O LEU A 18 6.839 2.695 2.554 1.00 0.00 O ATOM 262 CB LEU A 18 9.207 1.824 0.455 1.00 0.00 C ATOM 263 CG LEU A 18 9.446 0.771 -0.653 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.941 0.434 -0.789 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.620 -0.505 -0.430 1.00 0.00 C ATOM 0 H LEU A 18 8.500 3.314 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 18 7.023 1.757 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.971 2.597 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.336 1.347 1.427 1.00 0.00 H new ATOM 0 HG LEU A 18 9.108 1.217 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.077 -0.309 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.496 1.337 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.311 0.034 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.822 -1.214 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.892 -0.952 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.559 -0.255 -0.424 1.00 0.00 H new ATOM 277 N GLN A 19 8.289 4.338 1.938 1.00 0.00 N ATOM 278 CA GLN A 19 8.286 5.173 3.125 1.00 0.00 C ATOM 279 C GLN A 19 6.910 5.398 3.696 1.00 0.00 C ATOM 280 O GLN A 19 6.635 5.045 4.843 1.00 0.00 O ATOM 281 CB GLN A 19 8.900 6.554 2.789 1.00 0.00 C ATOM 282 CG GLN A 19 8.985 7.556 3.956 1.00 0.00 C ATOM 283 CD GLN A 19 9.231 8.955 3.377 1.00 0.00 C ATOM 284 OE1 GLN A 19 10.313 9.533 3.530 1.00 0.00 O ATOM 285 NE2 GLN A 19 8.176 9.490 2.686 1.00 0.00 N ATOM 0 H GLN A 19 8.891 4.725 1.211 1.00 0.00 H new ATOM 0 HA GLN A 19 8.873 4.641 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.905 6.397 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.313 7.006 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.062 7.542 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.792 7.280 4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.307 8.964 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.259 10.415 2.264 1.00 0.00 H new ATOM 294 N ARG A 20 6.026 5.991 2.868 1.00 0.00 N ATOM 295 CA ARG A 20 4.671 6.355 3.208 1.00 0.00 C ATOM 296 C ARG A 20 3.826 5.155 3.555 1.00 0.00 C ATOM 297 O ARG A 20 3.067 5.199 4.521 1.00 0.00 O ATOM 298 CB ARG A 20 3.976 7.104 2.050 1.00 0.00 C ATOM 299 CG ARG A 20 2.649 7.764 2.469 1.00 0.00 C ATOM 300 CD ARG A 20 1.873 8.424 1.320 1.00 0.00 C ATOM 301 NE ARG A 20 1.479 7.396 0.297 1.00 0.00 N ATOM 302 CZ ARG A 20 0.440 6.520 0.455 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.317 6.501 1.589 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.149 5.654 -0.561 1.00 0.00 N ATOM 0 H ARG A 20 6.266 6.232 1.906 1.00 0.00 H new ATOM 0 HA ARG A 20 4.754 7.004 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.650 7.869 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.786 6.405 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.014 7.010 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.857 8.517 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.983 8.918 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.487 9.194 0.853 1.00 0.00 H new ATOM 0 HE ARG A 20 2.019 7.349 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.115 7.152 2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.085 5.836 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.702 5.668 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.622 4.993 -0.463 1.00 0.00 H new ATOM 318 N LEU A 21 3.947 4.054 2.771 1.00 0.00 N ATOM 319 CA LEU A 21 3.141 2.857 2.910 1.00 0.00 C ATOM 320 C LEU A 21 3.389 2.128 4.200 1.00 0.00 C ATOM 321 O LEU A 21 2.485 1.485 4.724 1.00 0.00 O ATOM 322 CB LEU A 21 3.434 1.825 1.799 1.00 0.00 C ATOM 323 CG LEU A 21 3.124 2.326 0.375 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.708 1.369 -0.678 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.618 2.548 0.142 1.00 0.00 C ATOM 0 H LEU A 21 4.628 3.992 2.014 1.00 0.00 H new ATOM 0 HA LEU A 21 2.116 3.226 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.485 1.540 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.850 0.925 1.991 1.00 0.00 H new ATOM 0 HG LEU A 21 3.605 3.298 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.477 1.742 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.789 1.308 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.272 0.378 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.456 2.901 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.085 1.609 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.246 3.292 0.847 1.00 0.00 H new ATOM 337 N LYS A 22 4.626 2.204 4.738 1.00 0.00 N ATOM 338 CA LYS A 22 5.039 1.505 5.934 1.00 0.00 C ATOM 339 C LYS A 22 4.459 2.167 7.152 1.00 0.00 C ATOM 340 O LYS A 22 4.159 1.502 8.142 1.00 0.00 O ATOM 341 CB LYS A 22 6.578 1.494 6.061 1.00 0.00 C ATOM 342 CG LYS A 22 7.235 0.606 4.993 1.00 0.00 C ATOM 343 CD LYS A 22 8.680 0.996 4.648 1.00 0.00 C ATOM 344 CE LYS A 22 9.674 0.779 5.794 1.00 0.00 C ATOM 345 NZ LYS A 22 11.049 1.138 5.372 1.00 0.00 N ATOM 0 H LYS A 22 5.369 2.771 4.329 1.00 0.00 H new ATOM 0 HA LYS A 22 4.676 0.480 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.957 2.512 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.858 1.137 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.223 -0.428 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.634 0.645 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.005 0.417 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.702 2.046 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.383 1.383 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.647 -0.263 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.706 0.984 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.331 0.544 4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.075 2.139 5.090 1.00 0.00 H new ATOM 359 N ALA A 23 4.267 3.502 7.080 1.00 0.00 N ATOM 360 CA ALA A 23 3.713 4.299 8.148 1.00 0.00 C ATOM 361 C ALA A 23 2.210 4.197 8.154 1.00 0.00 C ATOM 362 O ALA A 23 1.585 4.217 9.214 1.00 0.00 O ATOM 363 CB ALA A 23 4.084 5.786 7.991 1.00 0.00 C ATOM 0 H ALA A 23 4.504 4.048 6.252 1.00 0.00 H new ATOM 0 HA ALA A 23 4.128 3.915 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.651 6.358 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.169 5.894 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.695 6.160 7.044 1.00 0.00 H new ATOM 369 N GLU A 24 1.600 4.095 6.950 1.00 0.00 N ATOM 370 CA GLU A 24 0.174 4.175 6.755 1.00 0.00 C ATOM 371 C GLU A 24 -0.475 2.841 7.018 1.00 0.00 C ATOM 372 O GLU A 24 -1.570 2.790 7.573 1.00 0.00 O ATOM 373 CB GLU A 24 -0.177 4.643 5.319 1.00 0.00 C ATOM 374 CG GLU A 24 -1.652 5.036 5.100 1.00 0.00 C ATOM 375 CD GLU A 24 -2.055 6.327 5.821 1.00 0.00 C ATOM 376 OE1 GLU A 24 -1.167 7.038 6.362 1.00 0.00 O ATOM 377 OE2 GLU A 24 -3.281 6.622 5.822 1.00 0.00 O ATOM 0 H GLU A 24 2.117 3.952 6.082 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.208 4.910 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.451 5.498 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.077 3.845 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.833 5.154 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.291 4.223 5.444 1.00 0.00 H new ATOM 384 N PHE A 25 0.198 1.725 6.637 1.00 0.00 N ATOM 385 CA PHE A 25 -0.313 0.380 6.784 1.00 0.00 C ATOM 386 C PHE A 25 -0.195 -0.082 8.221 1.00 0.00 C ATOM 387 O PHE A 25 -0.889 -1.009 8.637 1.00 0.00 O ATOM 388 CB PHE A 25 0.462 -0.590 5.854 1.00 0.00 C ATOM 389 CG PHE A 25 -0.078 -1.999 5.843 1.00 0.00 C ATOM 390 CD1 PHE A 25 -1.396 -2.286 5.445 1.00 0.00 C ATOM 391 CD2 PHE A 25 0.759 -3.055 6.233 1.00 0.00 C ATOM 392 CE1 PHE A 25 -1.861 -3.608 5.424 1.00 0.00 C ATOM 393 CE2 PHE A 25 0.291 -4.371 6.230 1.00 0.00 C ATOM 394 CZ PHE A 25 -1.017 -4.655 5.820 1.00 0.00 C ATOM 0 H PHE A 25 1.126 1.759 6.214 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.366 0.381 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.440 -0.196 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.507 -0.616 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.055 -1.482 5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.774 -2.849 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.870 -3.820 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.941 -5.173 6.546 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.374 -5.674 5.809 1.00 0.00 H new ATOM 404 N GLN A 26 0.672 0.588 9.018 1.00 0.00 N ATOM 405 CA GLN A 26 0.855 0.330 10.427 1.00 0.00 C ATOM 406 C GLN A 26 -0.398 0.694 11.183 1.00 0.00 C ATOM 407 O GLN A 26 -0.836 -0.041 12.067 1.00 0.00 O ATOM 408 CB GLN A 26 2.042 1.144 10.995 1.00 0.00 C ATOM 409 CG GLN A 26 2.405 0.809 12.454 1.00 0.00 C ATOM 410 CD GLN A 26 3.582 1.682 12.907 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.418 2.561 13.762 1.00 0.00 O ATOM 412 NE2 GLN A 26 4.788 1.424 12.316 1.00 0.00 N ATOM 0 H GLN A 26 1.269 1.338 8.669 1.00 0.00 H new ATOM 0 HA GLN A 26 1.069 -0.732 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.917 0.973 10.368 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.804 2.206 10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.544 0.978 13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.667 -0.245 12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.865 0.686 11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.610 1.969 12.575 1.00 0.00 H new ATOM 421 N THR A 27 -1.018 1.838 10.803 1.00 0.00 N ATOM 422 CA THR A 27 -2.247 2.337 11.377 1.00 0.00 C ATOM 423 C THR A 27 -3.391 1.534 10.824 1.00 0.00 C ATOM 424 O THR A 27 -4.058 0.795 11.546 1.00 0.00 O ATOM 425 CB THR A 27 -2.447 3.821 11.099 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.330 4.559 11.582 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.736 4.352 11.765 1.00 0.00 C ATOM 0 H THR A 27 -0.650 2.440 10.067 1.00 0.00 H new ATOM 0 HA THR A 27 -2.199 2.228 12.461 1.00 0.00 H new ATOM 0 HB THR A 27 -2.540 3.948 10.020 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.464 5.512 11.399 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.848 5.414 11.546 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.597 3.809 11.376 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.674 4.208 12.844 1.00 0.00 H new ATOM 435 N ASN A 28 -3.618 1.680 9.506 1.00 0.00 N ATOM 436 CA ASN A 28 -4.693 1.086 8.765 1.00 0.00 C ATOM 437 C ASN A 28 -4.241 -0.261 8.289 1.00 0.00 C ATOM 438 O ASN A 28 -3.658 -0.401 7.215 1.00 0.00 O ATOM 439 CB ASN A 28 -5.045 1.937 7.529 1.00 0.00 C ATOM 440 CG ASN A 28 -5.553 3.315 7.977 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.702 3.445 8.414 1.00 0.00 O ATOM 442 ND2 ASN A 28 -4.670 4.352 7.863 1.00 0.00 N ATOM 0 H ASN A 28 -3.011 2.251 8.918 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.570 1.014 9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.168 2.051 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.807 1.434 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.948 5.292 8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.733 4.186 7.495 1.00 0.00 H new ATOM 449 N ARG A 29 -4.513 -1.292 9.112 1.00 0.00 N ATOM 450 CA ARG A 29 -4.122 -2.653 8.871 1.00 0.00 C ATOM 451 C ARG A 29 -5.123 -3.273 7.948 1.00 0.00 C ATOM 452 O ARG A 29 -4.752 -3.892 6.954 1.00 0.00 O ATOM 453 CB ARG A 29 -4.130 -3.451 10.189 1.00 0.00 C ATOM 454 CG ARG A 29 -3.484 -4.845 10.112 1.00 0.00 C ATOM 455 CD ARG A 29 -1.986 -4.851 9.763 1.00 0.00 C ATOM 456 NE ARG A 29 -1.235 -4.114 10.833 1.00 0.00 N ATOM 457 CZ ARG A 29 0.088 -3.782 10.717 1.00 0.00 C ATOM 458 NH1 ARG A 29 0.790 -4.061 9.582 1.00 0.00 N ATOM 459 NH2 ARG A 29 0.714 -3.162 11.761 1.00 0.00 N ATOM 0 H ARG A 29 -5.028 -1.174 9.984 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.120 -2.669 8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.612 -2.869 10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.162 -3.564 10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.620 -5.345 11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.017 -5.435 9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.621 -5.875 9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.823 -4.379 8.794 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.732 -3.849 11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.330 -4.526 8.799 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.775 -3.805 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.196 -2.952 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.699 -2.909 11.687 1.00 0.00 H new ATOM 473 N TYR A 30 -6.428 -3.088 8.272 1.00 0.00 N ATOM 474 CA TYR A 30 -7.558 -3.580 7.533 1.00 0.00 C ATOM 475 C TYR A 30 -7.857 -2.560 6.474 1.00 0.00 C ATOM 476 O TYR A 30 -8.833 -1.812 6.525 1.00 0.00 O ATOM 477 CB TYR A 30 -8.784 -3.800 8.449 1.00 0.00 C ATOM 478 CG TYR A 30 -8.484 -4.931 9.400 1.00 0.00 C ATOM 479 CD1 TYR A 30 -8.716 -6.264 9.020 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.908 -4.676 10.658 1.00 0.00 C ATOM 481 CE1 TYR A 30 -8.354 -7.323 9.864 1.00 0.00 C ATOM 482 CE2 TYR A 30 -7.545 -5.729 11.504 1.00 0.00 C ATOM 483 CZ TYR A 30 -7.762 -7.057 11.106 1.00 0.00 C ATOM 484 OH TYR A 30 -7.375 -8.119 11.952 1.00 0.00 O ATOM 0 H TYR A 30 -6.706 -2.562 9.101 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.331 -4.550 7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.008 -2.889 9.005 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.665 -4.034 7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.178 -6.475 8.067 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.744 -3.656 10.974 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.531 -8.343 9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.097 -5.520 12.464 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.980 -7.756 12.772 1.00 0.00 H new ATOM 494 N LEU A 31 -6.941 -2.538 5.489 1.00 0.00 N ATOM 495 CA LEU A 31 -6.865 -1.641 4.375 1.00 0.00 C ATOM 496 C LEU A 31 -7.754 -2.183 3.294 1.00 0.00 C ATOM 497 O LEU A 31 -7.778 -3.385 3.034 1.00 0.00 O ATOM 498 CB LEU A 31 -5.393 -1.540 3.919 1.00 0.00 C ATOM 499 CG LEU A 31 -5.095 -0.548 2.779 1.00 0.00 C ATOM 500 CD1 LEU A 31 -3.795 0.221 3.075 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.051 -1.236 1.407 1.00 0.00 C ATOM 0 H LEU A 31 -6.179 -3.216 5.473 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.200 -0.637 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.787 -1.262 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.064 -2.530 3.604 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.916 0.167 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.593 0.920 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.903 0.772 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.968 -0.483 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.838 -0.496 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.270 -1.996 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.014 -1.705 1.204 1.00 0.00 H new ATOM 513 N THR A 32 -8.545 -1.276 2.679 1.00 0.00 N ATOM 514 CA THR A 32 -9.648 -1.613 1.813 1.00 0.00 C ATOM 515 C THR A 32 -9.198 -1.481 0.392 1.00 0.00 C ATOM 516 O THR A 32 -8.113 -0.976 0.128 1.00 0.00 O ATOM 517 CB THR A 32 -10.889 -0.758 2.072 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.737 0.604 1.690 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.149 -0.770 3.584 1.00 0.00 C ATOM 0 H THR A 32 -8.414 -0.270 2.787 1.00 0.00 H new ATOM 0 HA THR A 32 -9.944 -2.641 2.023 1.00 0.00 H new ATOM 0 HB THR A 32 -11.700 -1.181 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.565 1.092 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.030 -0.168 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.316 -1.795 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.286 -0.356 4.105 1.00 0.00 H new ATOM 527 N GLU A 33 -10.052 -1.916 -0.557 1.00 0.00 N ATOM 528 CA GLU A 33 -9.852 -1.747 -1.978 1.00 0.00 C ATOM 529 C GLU A 33 -10.106 -0.318 -2.400 1.00 0.00 C ATOM 530 O GLU A 33 -9.647 0.108 -3.457 1.00 0.00 O ATOM 531 CB GLU A 33 -10.722 -2.702 -2.845 1.00 0.00 C ATOM 532 CG GLU A 33 -12.249 -2.453 -2.860 1.00 0.00 C ATOM 533 CD GLU A 33 -12.887 -2.695 -1.492 1.00 0.00 C ATOM 534 OE1 GLU A 33 -12.808 -3.851 -0.997 1.00 0.00 O ATOM 535 OE2 GLU A 33 -13.459 -1.726 -0.922 1.00 0.00 O ATOM 0 H GLU A 33 -10.918 -2.406 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.808 -2.006 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.361 -2.648 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.550 -3.722 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.445 -1.428 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.715 -3.107 -3.597 1.00 0.00 H new ATOM 542 N GLN A 34 -10.853 0.446 -1.563 1.00 0.00 N ATOM 543 CA GLN A 34 -11.277 1.803 -1.824 1.00 0.00 C ATOM 544 C GLN A 34 -10.163 2.740 -1.444 1.00 0.00 C ATOM 545 O GLN A 34 -9.909 3.739 -2.114 1.00 0.00 O ATOM 546 CB GLN A 34 -12.568 2.134 -1.029 1.00 0.00 C ATOM 547 CG GLN A 34 -13.376 3.351 -1.523 1.00 0.00 C ATOM 548 CD GLN A 34 -12.713 4.680 -1.138 1.00 0.00 C ATOM 549 OE1 GLN A 34 -12.403 4.912 0.038 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.501 5.566 -2.160 1.00 0.00 N ATOM 0 H GLN A 34 -11.177 0.100 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.503 1.918 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.218 1.259 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.295 2.303 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.481 3.300 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.381 3.313 -1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.776 5.323 -3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.068 6.470 -1.970 1.00 0.00 H new ATOM 559 N ARG A 35 -9.436 2.398 -0.359 1.00 0.00 N ATOM 560 CA ARG A 35 -8.239 3.075 0.067 1.00 0.00 C ATOM 561 C ARG A 35 -7.139 2.774 -0.897 1.00 0.00 C ATOM 562 O ARG A 35 -6.428 3.678 -1.312 1.00 0.00 O ATOM 563 CB ARG A 35 -7.715 2.553 1.419 1.00 0.00 C ATOM 564 CG ARG A 35 -8.400 3.188 2.641 1.00 0.00 C ATOM 565 CD ARG A 35 -7.948 2.628 3.997 1.00 0.00 C ATOM 566 NE ARG A 35 -6.459 2.577 3.979 1.00 0.00 N ATOM 567 CZ ARG A 35 -5.641 3.643 4.234 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.094 4.775 4.839 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.333 3.570 3.845 1.00 0.00 N ATOM 0 H ARG A 35 -9.691 1.618 0.247 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.496 4.132 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.853 1.473 1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.643 2.740 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.213 4.262 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.477 3.050 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.301 3.260 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.365 1.634 4.161 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.018 1.683 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.072 4.848 5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.455 5.551 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.986 2.733 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.703 4.352 4.024 1.00 0.00 H new ATOM 583 N ARG A 36 -6.989 1.473 -1.240 1.00 0.00 N ATOM 584 CA ARG A 36 -5.926 0.939 -2.076 1.00 0.00 C ATOM 585 C ARG A 36 -5.852 1.575 -3.442 1.00 0.00 C ATOM 586 O ARG A 36 -4.765 1.773 -3.983 1.00 0.00 O ATOM 587 CB ARG A 36 -6.089 -0.581 -2.281 1.00 0.00 C ATOM 588 CG ARG A 36 -4.908 -1.292 -2.964 1.00 0.00 C ATOM 589 CD ARG A 36 -5.101 -2.814 -3.059 1.00 0.00 C ATOM 590 NE ARG A 36 -5.251 -3.372 -1.669 1.00 0.00 N ATOM 591 CZ ARG A 36 -6.283 -4.178 -1.268 1.00 0.00 C ATOM 592 NH1 ARG A 36 -7.234 -4.610 -2.144 1.00 0.00 N ATOM 593 NH2 ARG A 36 -6.360 -4.552 0.045 1.00 0.00 N ATOM 0 H ARG A 36 -7.637 0.752 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.008 1.168 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.255 -1.045 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.987 -0.755 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.775 -0.884 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.993 -1.081 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.983 -3.046 -3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.248 -3.272 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.537 -3.134 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.187 -4.333 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.992 -5.210 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.655 -4.231 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.122 -5.152 0.361 1.00 0.00 H new ATOM 607 N GLN A 37 -7.025 1.920 -4.021 1.00 0.00 N ATOM 608 CA GLN A 37 -7.119 2.490 -5.347 1.00 0.00 C ATOM 609 C GLN A 37 -6.937 3.982 -5.305 1.00 0.00 C ATOM 610 O GLN A 37 -6.850 4.621 -6.350 1.00 0.00 O ATOM 611 CB GLN A 37 -8.467 2.179 -6.035 1.00 0.00 C ATOM 612 CG GLN A 37 -9.668 2.903 -5.404 1.00 0.00 C ATOM 613 CD GLN A 37 -10.990 2.316 -5.909 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.018 1.380 -6.716 1.00 0.00 O ATOM 615 NE2 GLN A 37 -12.121 2.901 -5.401 1.00 0.00 N ATOM 0 H GLN A 37 -7.928 1.802 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.321 2.028 -5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.400 2.456 -7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.643 1.104 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.619 2.818 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.623 3.966 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.043 3.671 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.041 2.566 -5.687 1.00 0.00 H new ATOM 624 N SER A 38 -6.867 4.569 -4.088 1.00 0.00 N ATOM 625 CA SER A 38 -6.620 5.978 -3.897 1.00 0.00 C ATOM 626 C SER A 38 -5.155 6.146 -3.602 1.00 0.00 C ATOM 627 O SER A 38 -4.608 7.232 -3.772 1.00 0.00 O ATOM 628 CB SER A 38 -7.451 6.548 -2.730 1.00 0.00 C ATOM 629 OG SER A 38 -7.418 7.970 -2.684 1.00 0.00 O ATOM 0 H SER A 38 -6.985 4.054 -3.215 1.00 0.00 H new ATOM 0 HA SER A 38 -6.910 6.521 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.484 6.214 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.073 6.148 -1.789 1.00 0.00 H new ATOM 0 HG SER A 38 -7.959 8.286 -1.930 1.00 0.00 H new ATOM 635 N LEU A 39 -4.477 5.044 -3.189 1.00 0.00 N ATOM 636 CA LEU A 39 -3.041 4.991 -3.051 1.00 0.00 C ATOM 637 C LEU A 39 -2.469 4.792 -4.431 1.00 0.00 C ATOM 638 O LEU A 39 -1.320 5.145 -4.696 1.00 0.00 O ATOM 639 CB LEU A 39 -2.517 3.826 -2.176 1.00 0.00 C ATOM 640 CG LEU A 39 -3.166 3.644 -0.782 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.329 2.668 0.059 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.445 4.938 0.006 1.00 0.00 C ATOM 0 H LEU A 39 -4.940 4.168 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.738 5.918 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.648 2.899 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.445 3.965 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.157 3.236 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.790 2.544 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.281 1.702 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.321 3.064 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.899 4.689 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.509 5.470 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.125 5.572 -0.564 1.00 0.00 H new ATOM 654 N ALA A 40 -3.302 4.231 -5.348 1.00 0.00 N ATOM 655 CA ALA A 40 -2.995 4.085 -6.746 1.00 0.00 C ATOM 656 C ALA A 40 -3.064 5.422 -7.440 1.00 0.00 C ATOM 657 O ALA A 40 -2.379 5.638 -8.437 1.00 0.00 O ATOM 658 CB ALA A 40 -3.957 3.120 -7.462 1.00 0.00 C ATOM 0 H ALA A 40 -4.222 3.867 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.987 3.673 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.682 3.046 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.895 2.135 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.977 3.495 -7.380 1.00 0.00 H new ATOM 664 N GLN A 41 -3.878 6.370 -6.916 1.00 0.00 N ATOM 665 CA GLN A 41 -3.936 7.712 -7.452 1.00 0.00 C ATOM 666 C GLN A 41 -2.791 8.533 -6.915 1.00 0.00 C ATOM 667 O GLN A 41 -2.369 9.498 -7.550 1.00 0.00 O ATOM 668 CB GLN A 41 -5.249 8.438 -7.077 1.00 0.00 C ATOM 669 CG GLN A 41 -6.483 7.820 -7.758 1.00 0.00 C ATOM 670 CD GLN A 41 -7.763 8.475 -7.223 1.00 0.00 C ATOM 671 OE1 GLN A 41 -8.545 7.834 -6.510 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.969 9.777 -7.583 1.00 0.00 N ATOM 0 H GLN A 41 -4.497 6.209 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.881 7.616 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.381 8.406 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.172 9.488 -7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.419 7.957 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.510 6.746 -7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.290 10.256 -8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.802 10.269 -7.261 1.00 0.00 H new ATOM 681 N GLU A 42 -2.280 8.175 -5.713 1.00 0.00 N ATOM 682 CA GLU A 42 -1.439 9.030 -4.916 1.00 0.00 C ATOM 683 C GLU A 42 -0.011 9.018 -5.350 1.00 0.00 C ATOM 684 O GLU A 42 0.506 10.020 -5.846 1.00 0.00 O ATOM 685 CB GLU A 42 -1.532 8.650 -3.422 1.00 0.00 C ATOM 686 CG GLU A 42 -0.909 9.683 -2.464 1.00 0.00 C ATOM 687 CD GLU A 42 -1.257 9.371 -1.008 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.992 8.379 -0.750 1.00 0.00 O ATOM 689 OE2 GLU A 42 -0.788 10.138 -0.124 1.00 0.00 O ATOM 0 H GLU A 42 -2.457 7.266 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.813 10.043 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.581 8.514 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.039 7.690 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.174 9.690 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.266 10.681 -2.720 1.00 0.00 H new ATOM 696 N LEU A 43 0.655 7.858 -5.180 1.00 0.00 N ATOM 697 CA LEU A 43 2.032 7.633 -5.554 1.00 0.00 C ATOM 698 C LEU A 43 2.091 7.496 -7.043 1.00 0.00 C ATOM 699 O LEU A 43 3.091 7.819 -7.680 1.00 0.00 O ATOM 700 CB LEU A 43 2.551 6.324 -4.928 1.00 0.00 C ATOM 701 CG LEU A 43 2.482 6.340 -3.385 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.749 4.944 -2.796 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.419 7.397 -2.766 1.00 0.00 C ATOM 0 H LEU A 43 0.218 7.036 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 43 2.643 8.465 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.965 5.486 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.582 6.159 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 43 1.464 6.626 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.693 4.991 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.002 4.243 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.742 4.607 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.333 7.368 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.448 7.184 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.139 8.387 -3.126 1.00 0.00 H new ATOM 715 N GLY A 44 0.960 7.026 -7.602 1.00 0.00 N ATOM 716 CA GLY A 44 0.739 6.939 -9.024 1.00 0.00 C ATOM 717 C GLY A 44 1.008 5.530 -9.427 1.00 0.00 C ATOM 718 O GLY A 44 1.632 5.270 -10.453 1.00 0.00 O ATOM 0 H GLY A 44 0.169 6.694 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.284 7.221 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.397 7.624 -9.558 1.00 0.00 H new ATOM 722 N LEU A 45 0.523 4.588 -8.589 1.00 0.00 N ATOM 723 CA LEU A 45 0.709 3.169 -8.790 1.00 0.00 C ATOM 724 C LEU A 45 -0.567 2.615 -9.364 1.00 0.00 C ATOM 725 O LEU A 45 -1.394 3.355 -9.895 1.00 0.00 O ATOM 726 CB LEU A 45 1.076 2.457 -7.463 1.00 0.00 C ATOM 727 CG LEU A 45 2.487 2.827 -6.941 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.633 2.439 -5.460 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.603 2.210 -7.805 1.00 0.00 C ATOM 0 H LEU A 45 -0.012 4.813 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 45 1.537 2.996 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.336 2.713 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.021 1.378 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 45 2.598 3.908 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.630 2.706 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.887 2.971 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.485 1.365 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.575 2.496 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.512 1.124 -7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.513 2.573 -8.829 1.00 0.00 H new ATOM 741 N ASN A 46 -0.746 1.276 -9.283 1.00 0.00 N ATOM 742 CA ASN A 46 -1.988 0.611 -9.593 1.00 0.00 C ATOM 743 C ASN A 46 -2.438 0.067 -8.270 1.00 0.00 C ATOM 744 O ASN A 46 -1.785 0.268 -7.248 1.00 0.00 O ATOM 745 CB ASN A 46 -1.845 -0.554 -10.608 1.00 0.00 C ATOM 746 CG ASN A 46 -1.541 0.003 -12.005 1.00 0.00 C ATOM 747 OD1 ASN A 46 -2.459 0.192 -12.813 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.229 0.268 -12.287 1.00 0.00 N ATOM 0 H ASN A 46 -0.006 0.636 -8.994 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.683 1.306 -10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.046 -1.226 -10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.763 -1.141 -10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.031 0.640 -13.200 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.489 0.094 -11.584 1.00 0.00 H new ATOM 755 N GLU A 47 -3.592 -0.638 -8.257 1.00 0.00 N ATOM 756 CA GLU A 47 -4.100 -1.326 -7.092 1.00 0.00 C ATOM 757 C GLU A 47 -3.271 -2.546 -6.854 1.00 0.00 C ATOM 758 O GLU A 47 -2.943 -2.893 -5.723 1.00 0.00 O ATOM 759 CB GLU A 47 -5.549 -1.828 -7.285 1.00 0.00 C ATOM 760 CG GLU A 47 -6.474 -0.708 -7.774 1.00 0.00 C ATOM 761 CD GLU A 47 -7.934 -1.126 -7.622 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.350 -1.431 -6.471 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.658 -1.143 -8.654 1.00 0.00 O ATOM 0 H GLU A 47 -4.191 -0.734 -9.077 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.067 -0.615 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.558 -2.648 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.925 -2.226 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.288 0.202 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.260 -0.480 -8.818 1.00 0.00 H new ATOM 770 N SER A 48 -2.942 -3.204 -7.983 1.00 0.00 N ATOM 771 CA SER A 48 -2.388 -4.532 -8.089 1.00 0.00 C ATOM 772 C SER A 48 -0.998 -4.628 -7.526 1.00 0.00 C ATOM 773 O SER A 48 -0.639 -5.654 -6.954 1.00 0.00 O ATOM 774 CB SER A 48 -2.326 -5.003 -9.559 1.00 0.00 C ATOM 775 OG SER A 48 -3.625 -5.021 -10.134 1.00 0.00 O ATOM 0 H SER A 48 -3.073 -2.775 -8.899 1.00 0.00 H new ATOM 0 HA SER A 48 -3.057 -5.167 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.678 -4.340 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.887 -5.999 -9.609 1.00 0.00 H new ATOM 0 HG SER A 48 -3.566 -5.320 -11.065 1.00 0.00 H new ATOM 781 N GLN A 49 -0.185 -3.553 -7.666 1.00 0.00 N ATOM 782 CA GLN A 49 1.184 -3.520 -7.227 1.00 0.00 C ATOM 783 C GLN A 49 1.274 -3.499 -5.725 1.00 0.00 C ATOM 784 O GLN A 49 2.151 -4.132 -5.139 1.00 0.00 O ATOM 785 CB GLN A 49 1.908 -2.260 -7.736 1.00 0.00 C ATOM 786 CG GLN A 49 1.894 -2.126 -9.267 1.00 0.00 C ATOM 787 CD GLN A 49 2.712 -0.908 -9.706 1.00 0.00 C ATOM 788 OE1 GLN A 49 2.161 0.074 -10.217 1.00 0.00 O ATOM 789 NE2 GLN A 49 4.062 -0.985 -9.502 1.00 0.00 N ATOM 0 H GLN A 49 -0.492 -2.681 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 49 1.652 -4.418 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.440 -1.379 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.941 -2.278 -7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.303 -3.029 -9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.867 -2.029 -9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.467 -1.819 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.664 -0.209 -9.776 1.00 0.00 H new ATOM 798 N ILE A 50 0.351 -2.751 -5.076 1.00 0.00 N ATOM 799 CA ILE A 50 0.349 -2.533 -3.652 1.00 0.00 C ATOM 800 C ILE A 50 -0.391 -3.655 -2.980 1.00 0.00 C ATOM 801 O ILE A 50 -0.194 -3.896 -1.795 1.00 0.00 O ATOM 802 CB ILE A 50 -0.265 -1.199 -3.233 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.114 -0.126 -4.337 1.00 0.00 C ATOM 804 CG2 ILE A 50 0.431 -0.760 -1.925 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.823 1.183 -3.994 1.00 0.00 C ATOM 0 H ILE A 50 -0.418 -2.284 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 50 1.393 -2.504 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.337 -1.317 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.945 0.072 -4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.514 -0.516 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.017 0.192 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.267 -1.514 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.501 -0.649 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.682 1.897 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.888 0.995 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.406 1.592 -3.074 1.00 0.00 H new ATOM 817 N LYS A 51 -1.243 -4.396 -3.728 1.00 0.00 N ATOM 818 CA LYS A 51 -2.019 -5.508 -3.225 1.00 0.00 C ATOM 819 C LYS A 51 -1.104 -6.624 -2.825 1.00 0.00 C ATOM 820 O LYS A 51 -1.257 -7.225 -1.768 1.00 0.00 O ATOM 821 CB LYS A 51 -2.985 -6.064 -4.290 1.00 0.00 C ATOM 822 CG LYS A 51 -4.146 -6.869 -3.685 1.00 0.00 C ATOM 823 CD LYS A 51 -5.198 -7.287 -4.721 1.00 0.00 C ATOM 824 CE LYS A 51 -6.366 -8.055 -4.088 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.371 -8.433 -5.108 1.00 0.00 N ATOM 0 H LYS A 51 -1.399 -4.216 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.593 -5.137 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.389 -5.237 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.430 -6.700 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.748 -7.761 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.627 -6.273 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.580 -6.400 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.728 -7.909 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.991 -8.951 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.836 -7.440 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.150 -8.951 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.745 -7.575 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.926 -9.039 -5.826 1.00 0.00 H new ATOM 839 N ILE A 52 -0.092 -6.858 -3.689 1.00 0.00 N ATOM 840 CA ILE A 52 1.007 -7.766 -3.528 1.00 0.00 C ATOM 841 C ILE A 52 1.800 -7.398 -2.303 1.00 0.00 C ATOM 842 O ILE A 52 2.097 -8.258 -1.480 1.00 0.00 O ATOM 843 CB ILE A 52 1.853 -7.725 -4.797 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.078 -8.386 -5.964 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.228 -8.372 -4.563 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.723 -8.168 -7.338 1.00 0.00 C ATOM 0 H ILE A 52 -0.042 -6.365 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 52 0.651 -8.786 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 52 2.044 -6.687 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.000 -9.457 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.062 -7.991 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.811 -8.330 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.754 -7.834 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.095 -9.412 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.123 -8.660 -8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.776 -7.100 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.729 -8.589 -7.339 1.00 0.00 H new ATOM 858 N TRP A 53 2.130 -6.095 -2.162 1.00 0.00 N ATOM 859 CA TRP A 53 2.902 -5.533 -1.071 1.00 0.00 C ATOM 860 C TRP A 53 2.231 -5.716 0.275 1.00 0.00 C ATOM 861 O TRP A 53 2.907 -5.988 1.264 1.00 0.00 O ATOM 862 CB TRP A 53 3.183 -4.022 -1.310 1.00 0.00 C ATOM 863 CG TRP A 53 4.203 -3.359 -0.394 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.546 -3.187 -0.587 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.894 -2.731 0.866 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.091 -2.478 0.458 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.095 -2.190 1.364 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.705 -2.604 1.572 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.122 -1.513 2.582 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.743 -1.972 2.822 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.935 -1.433 3.320 1.00 0.00 C ATOM 0 H TRP A 53 1.846 -5.391 -2.843 1.00 0.00 H new ATOM 0 HA TRP A 53 3.844 -6.082 -1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.520 -3.898 -2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.241 -3.482 -1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.099 -3.555 -1.438 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.071 -2.210 0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.777 -2.982 1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.033 -1.063 2.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.840 -1.900 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.939 -0.949 4.286 1.00 0.00 H new ATOM 882 N PHE A 54 0.883 -5.583 0.346 1.00 0.00 N ATOM 883 CA PHE A 54 0.116 -5.706 1.561 1.00 0.00 C ATOM 884 C PHE A 54 0.037 -7.152 1.972 1.00 0.00 C ATOM 885 O PHE A 54 0.085 -7.447 3.162 1.00 0.00 O ATOM 886 CB PHE A 54 -1.329 -5.147 1.397 1.00 0.00 C ATOM 887 CG PHE A 54 -1.354 -3.636 1.276 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.671 -2.832 2.204 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.077 -2.991 0.252 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.635 -1.440 2.069 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.039 -1.598 0.111 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.307 -0.825 1.014 1.00 0.00 C ATOM 0 H PHE A 54 0.308 -5.383 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 54 0.624 -5.120 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.788 -5.587 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.932 -5.450 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.165 -3.297 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.669 -3.579 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.087 -0.842 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.576 -1.122 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.261 0.248 0.895 1.00 0.00 H new ATOM 902 N GLN A 55 -0.050 -8.085 0.994 1.00 0.00 N ATOM 903 CA GLN A 55 -0.155 -9.506 1.216 1.00 0.00 C ATOM 904 C GLN A 55 1.176 -10.134 1.547 1.00 0.00 C ATOM 905 O GLN A 55 1.216 -11.242 2.079 1.00 0.00 O ATOM 906 CB GLN A 55 -0.761 -10.214 -0.014 1.00 0.00 C ATOM 907 CG GLN A 55 -2.262 -9.910 -0.175 1.00 0.00 C ATOM 908 CD GLN A 55 -2.775 -10.529 -1.480 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.326 -10.159 -2.571 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.743 -11.490 -1.354 1.00 0.00 N ATOM 0 H GLN A 55 -0.047 -7.838 0.004 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.815 -9.635 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.229 -9.899 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.617 -11.290 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.818 -10.311 0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.426 -8.832 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.078 -11.758 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.129 -11.938 -2.186 1.00 0.00 H new ATOM 919 N ASN A 56 2.299 -9.425 1.279 1.00 0.00 N ATOM 920 CA ASN A 56 3.628 -9.829 1.664 1.00 0.00 C ATOM 921 C ASN A 56 3.770 -9.622 3.145 1.00 0.00 C ATOM 922 O ASN A 56 4.269 -10.494 3.851 1.00 0.00 O ATOM 923 CB ASN A 56 4.718 -8.981 0.963 1.00 0.00 C ATOM 924 CG ASN A 56 4.825 -9.339 -0.528 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.342 -10.384 -0.979 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.491 -8.429 -1.303 1.00 0.00 N ATOM 0 H ASN A 56 2.280 -8.538 0.776 1.00 0.00 H new ATOM 0 HA ASN A 56 3.762 -10.872 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.484 -7.922 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.680 -9.145 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.607 -8.598 -2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.871 -7.581 -0.882 1.00 0.00 H new ATOM 933 N LYS A 57 3.292 -8.457 3.644 1.00 0.00 N ATOM 934 CA LYS A 57 3.311 -8.092 5.043 1.00 0.00 C ATOM 935 C LYS A 57 2.369 -8.928 5.872 1.00 0.00 C ATOM 936 O LYS A 57 2.599 -9.084 7.070 1.00 0.00 O ATOM 937 CB LYS A 57 2.934 -6.611 5.271 1.00 0.00 C ATOM 938 CG LYS A 57 4.126 -5.643 5.298 1.00 0.00 C ATOM 939 CD LYS A 57 4.921 -5.533 3.994 1.00 0.00 C ATOM 940 CE LYS A 57 6.128 -4.614 4.175 1.00 0.00 C ATOM 941 NZ LYS A 57 6.937 -4.533 2.939 1.00 0.00 N ATOM 0 H LYS A 57 2.875 -7.739 3.051 1.00 0.00 H new ATOM 0 HA LYS A 57 4.339 -8.269 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.248 -6.299 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.395 -6.528 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.759 -4.651 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.806 -5.954 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.254 -6.522 3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.279 -5.147 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.789 -3.617 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.747 -4.982 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.904 -4.232 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.967 -5.467 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.509 -3.843 2.289 1.00 0.00 H new