USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 15 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.7! C(o=-4.7!,f=-6.1!) USER MOD Single : A 23 GLN : amide:sc= -3.38! K(o=-3.4!,f=-4) USER MOD Single : A 29 ASN : amide:sc= -1.46 K(o=-1.5,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= 0.632 (180deg=0.181) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 SER OG : rot -52:sc= 0.415 USER MOD Single : A 42 ASN : amide:sc= 0.13 X(o=0.13,f=-0.034) USER MOD Single : A 45 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.235 -2.386 -10.777 1.00 0.00 N ATOM 175 CA PHE A 14 -5.697 -3.071 -9.575 1.00 0.00 C ATOM 176 C PHE A 14 -6.837 -2.301 -8.914 1.00 0.00 C ATOM 177 O PHE A 14 -7.008 -1.104 -9.143 1.00 0.00 O ATOM 178 CB PHE A 14 -4.543 -3.245 -8.586 1.00 0.00 C ATOM 179 CG PHE A 14 -3.247 -3.634 -9.239 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.364 -2.665 -9.689 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.913 -4.968 -9.404 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.171 -3.020 -10.290 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.721 -5.329 -10.004 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.850 -4.354 -10.449 1.00 0.00 C ATOM 0 HA PHE A 14 -6.067 -4.054 -9.867 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.400 -2.313 -8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.814 -4.005 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.611 -1.621 -9.569 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.591 -5.735 -9.060 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.491 -2.255 -10.635 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.471 -6.373 -10.125 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.080 -4.634 -10.920 1.00 0.00 H new ATOM 194 N THR A 15 -7.615 -2.999 -8.092 1.00 0.00 N ATOM 195 CA THR A 15 -8.740 -2.383 -7.399 1.00 0.00 C ATOM 196 C THR A 15 -8.448 -2.225 -5.911 1.00 0.00 C ATOM 197 O THR A 15 -7.603 -2.927 -5.356 1.00 0.00 O ATOM 198 CB THR A 15 -10.028 -3.210 -7.573 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.119 -2.561 -6.911 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.850 -4.613 -7.013 1.00 0.00 C ATOM 0 H THR A 15 -7.487 -3.991 -7.890 1.00 0.00 H new ATOM 0 HA THR A 15 -8.886 -1.399 -7.845 1.00 0.00 H new ATOM 0 HB THR A 15 -10.244 -3.287 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.935 -3.092 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.772 -5.178 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.038 -5.114 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.612 -4.553 -5.951 1.00 0.00 H new ATOM 208 N ASP A 16 -9.153 -1.300 -5.270 1.00 0.00 N ATOM 209 CA ASP A 16 -8.971 -1.051 -3.844 1.00 0.00 C ATOM 210 C ASP A 16 -8.699 -2.352 -3.096 1.00 0.00 C ATOM 211 O ASP A 16 -7.813 -2.416 -2.243 1.00 0.00 O ATOM 212 CB ASP A 16 -10.207 -0.362 -3.263 1.00 0.00 C ATOM 213 CG ASP A 16 -10.406 1.034 -3.819 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.801 1.982 -3.274 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.167 1.180 -4.798 1.00 0.00 O ATOM 0 H ASP A 16 -9.856 -0.710 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.109 -0.396 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.090 -0.965 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.113 -0.308 -2.178 1.00 0.00 H new ATOM 220 N TYR A 17 -9.467 -3.386 -3.420 1.00 0.00 N ATOM 221 CA TYR A 17 -9.312 -4.685 -2.776 1.00 0.00 C ATOM 222 C TYR A 17 -7.880 -5.193 -2.913 1.00 0.00 C ATOM 223 O TYR A 17 -7.273 -5.640 -1.940 1.00 0.00 O ATOM 224 CB TYR A 17 -10.285 -5.698 -3.382 1.00 0.00 C ATOM 225 CG TYR A 17 -9.794 -7.126 -3.311 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.226 -7.629 -2.147 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.898 -7.973 -4.408 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.775 -8.933 -2.077 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.451 -9.279 -4.347 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.891 -9.754 -3.180 1.00 0.00 C ATOM 231 OH TYR A 17 -8.444 -11.054 -3.116 1.00 0.00 O ATOM 0 H TYR A 17 -10.203 -3.350 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.536 -4.566 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.241 -5.625 -2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.466 -5.436 -4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.135 -6.989 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.336 -7.604 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.334 -9.307 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.540 -9.924 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.600 -11.496 -3.976 1.00 0.00 H new ATOM 241 N GLN A 18 -7.348 -5.121 -4.129 1.00 0.00 N ATOM 242 CA GLN A 18 -5.987 -5.574 -4.395 1.00 0.00 C ATOM 243 C GLN A 18 -4.967 -4.572 -3.866 1.00 0.00 C ATOM 244 O GLN A 18 -4.046 -4.935 -3.133 1.00 0.00 O ATOM 245 CB GLN A 18 -5.782 -5.786 -5.896 1.00 0.00 C ATOM 246 CG GLN A 18 -6.767 -6.766 -6.512 1.00 0.00 C ATOM 247 CD GLN A 18 -6.190 -7.498 -7.708 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.664 -6.881 -8.634 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.286 -8.823 -7.693 1.00 0.00 N ATOM 0 H GLN A 18 -7.838 -4.754 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.839 -6.522 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.870 -4.826 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.768 -6.146 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.071 -7.492 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.665 -6.229 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.730 -9.293 -6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.915 -9.370 -8.470 1.00 0.00 H new ATOM 258 N LEU A 19 -5.136 -3.309 -4.242 1.00 0.00 N ATOM 259 CA LEU A 19 -4.229 -2.253 -3.806 1.00 0.00 C ATOM 260 C LEU A 19 -4.103 -2.236 -2.286 1.00 0.00 C ATOM 261 O LEU A 19 -3.059 -1.871 -1.744 1.00 0.00 O ATOM 262 CB LEU A 19 -4.723 -0.893 -4.303 1.00 0.00 C ATOM 263 CG LEU A 19 -4.504 -0.600 -5.788 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.176 0.706 -6.179 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.017 -0.554 -6.109 1.00 0.00 C ATOM 0 H LEU A 19 -5.893 -2.991 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.246 -2.454 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.790 -0.817 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.227 -0.115 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.956 -1.405 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.009 0.898 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.247 0.636 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.755 1.522 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.880 -0.344 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.542 0.230 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.563 -1.515 -5.867 1.00 0.00 H new ATOM 277 N ARG A 20 -5.171 -2.637 -1.605 1.00 0.00 N ATOM 278 CA ARG A 20 -5.179 -2.669 -0.147 1.00 0.00 C ATOM 279 C ARG A 20 -4.118 -3.630 0.381 1.00 0.00 C ATOM 280 O ARG A 20 -3.348 -3.288 1.279 1.00 0.00 O ATOM 281 CB ARG A 20 -6.559 -3.084 0.367 1.00 0.00 C ATOM 282 CG ARG A 20 -6.712 -2.954 1.874 1.00 0.00 C ATOM 283 CD ARG A 20 -6.570 -1.508 2.325 1.00 0.00 C ATOM 284 NE ARG A 20 -7.037 -1.315 3.696 1.00 0.00 N ATOM 285 CZ ARG A 20 -6.899 -0.176 4.365 1.00 0.00 C ATOM 286 NH1 ARG A 20 -6.311 0.866 3.793 1.00 0.00 N ATOM 287 NH2 ARG A 20 -7.351 -0.077 5.609 1.00 0.00 N ATOM 0 H ARG A 20 -6.042 -2.944 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.950 -1.667 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.318 -2.473 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.749 -4.118 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.687 -3.337 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.961 -3.567 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.525 -1.206 2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.136 -0.862 1.654 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.494 -2.097 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.963 0.794 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.206 1.739 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.805 -0.876 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.245 0.798 6.122 1.00 0.00 H new ATOM 301 N VAL A 21 -4.083 -4.833 -0.182 1.00 0.00 N ATOM 302 CA VAL A 21 -3.116 -5.843 0.231 1.00 0.00 C ATOM 303 C VAL A 21 -1.720 -5.510 -0.282 1.00 0.00 C ATOM 304 O VAL A 21 -0.732 -5.642 0.443 1.00 0.00 O ATOM 305 CB VAL A 21 -3.516 -7.242 -0.273 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.458 -8.268 0.104 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.877 -7.639 0.280 1.00 0.00 C ATOM 0 H VAL A 21 -4.713 -5.132 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.108 -5.846 1.321 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.587 -7.211 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.758 -9.251 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.505 -7.990 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.352 -8.300 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.144 -8.630 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.837 -7.653 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.627 -6.918 -0.046 1.00 0.00 H new ATOM 317 N LEU A 22 -1.644 -5.077 -1.535 1.00 0.00 N ATOM 318 CA LEU A 22 -0.368 -4.723 -2.147 1.00 0.00 C ATOM 319 C LEU A 22 0.289 -3.564 -1.404 1.00 0.00 C ATOM 320 O LEU A 22 1.486 -3.596 -1.121 1.00 0.00 O ATOM 321 CB LEU A 22 -0.569 -4.353 -3.617 1.00 0.00 C ATOM 322 CG LEU A 22 -1.114 -5.460 -4.520 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.550 -4.890 -5.860 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.071 -6.550 -4.716 1.00 0.00 C ATOM 0 H LEU A 22 -2.451 -4.962 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 22 0.289 -5.590 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.250 -3.503 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.387 -4.020 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.985 -5.901 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.935 -5.693 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.331 -4.146 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.697 -4.422 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.476 -7.330 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.819 -6.123 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.192 -6.980 -3.749 1.00 0.00 H new ATOM 336 N GLN A 23 -0.503 -2.544 -1.090 1.00 0.00 N ATOM 337 CA GLN A 23 0.002 -1.376 -0.379 1.00 0.00 C ATOM 338 C GLN A 23 0.291 -1.710 1.081 1.00 0.00 C ATOM 339 O GLN A 23 1.281 -1.250 1.649 1.00 0.00 O ATOM 340 CB GLN A 23 -1.005 -0.227 -0.462 1.00 0.00 C ATOM 341 CG GLN A 23 -0.369 1.149 -0.346 1.00 0.00 C ATOM 342 CD GLN A 23 0.874 1.292 -1.202 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.802 1.716 -2.355 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.024 0.938 -0.640 1.00 0.00 N ATOM 0 H GLN A 23 -1.497 -2.503 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 23 0.934 -1.068 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.540 -0.292 -1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.744 -0.345 0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.096 1.907 -0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.112 1.339 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.037 0.591 0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.894 1.013 -1.168 1.00 0.00 H new ATOM 353 N ASP A 24 -0.580 -2.513 1.682 1.00 0.00 N ATOM 354 CA ASP A 24 -0.418 -2.909 3.076 1.00 0.00 C ATOM 355 C ASP A 24 0.866 -3.710 3.268 1.00 0.00 C ATOM 356 O ASP A 24 1.578 -3.534 4.256 1.00 0.00 O ATOM 357 CB ASP A 24 -1.621 -3.733 3.537 1.00 0.00 C ATOM 358 CG ASP A 24 -1.500 -4.177 4.981 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.418 -3.300 5.867 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.488 -5.401 5.227 1.00 0.00 O ATOM 0 H ASP A 24 -1.405 -2.902 1.226 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.354 -2.004 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.529 -3.143 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.723 -4.610 2.898 1.00 0.00 H new ATOM 365 N PHE A 25 1.155 -4.591 2.316 1.00 0.00 N ATOM 366 CA PHE A 25 2.353 -5.421 2.381 1.00 0.00 C ATOM 367 C PHE A 25 3.604 -4.592 2.108 1.00 0.00 C ATOM 368 O PHE A 25 4.685 -4.892 2.616 1.00 0.00 O ATOM 369 CB PHE A 25 2.259 -6.569 1.374 1.00 0.00 C ATOM 370 CG PHE A 25 3.282 -7.646 1.594 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.626 -7.402 1.358 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.901 -8.902 2.038 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.570 -8.390 1.561 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.841 -9.894 2.242 1.00 0.00 C ATOM 375 CZ PHE A 25 5.177 -9.638 2.003 1.00 0.00 C ATOM 0 H PHE A 25 0.577 -4.749 1.491 1.00 0.00 H new ATOM 0 HA PHE A 25 2.424 -5.834 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.263 -7.009 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.376 -6.169 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.939 -6.428 1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.858 -9.108 2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.614 -8.187 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.531 -10.869 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.913 -10.412 2.161 1.00 0.00 H new ATOM 385 N PHE A 26 3.451 -3.547 1.302 1.00 0.00 N ATOM 386 CA PHE A 26 4.568 -2.674 0.959 1.00 0.00 C ATOM 387 C PHE A 26 4.946 -1.786 2.141 1.00 0.00 C ATOM 388 O PHE A 26 6.113 -1.714 2.528 1.00 0.00 O ATOM 389 CB PHE A 26 4.213 -1.808 -0.251 1.00 0.00 C ATOM 390 CG PHE A 26 5.261 -0.783 -0.582 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.306 0.424 0.096 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.200 -1.027 -1.570 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.267 1.369 -0.207 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.165 -0.086 -1.878 1.00 0.00 C ATOM 395 CZ PHE A 26 7.199 1.113 -1.194 1.00 0.00 C ATOM 0 H PHE A 26 2.564 -3.284 0.874 1.00 0.00 H new ATOM 0 HA PHE A 26 5.424 -3.301 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.060 -2.452 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.267 -1.301 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.582 0.629 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.178 -1.964 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.290 2.307 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.891 -0.288 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.953 1.849 -1.430 1.00 0.00 H new ATOM 405 N ASP A 27 3.953 -1.112 2.709 1.00 0.00 N ATOM 406 CA ASP A 27 4.180 -0.229 3.847 1.00 0.00 C ATOM 407 C ASP A 27 4.985 -0.937 4.932 1.00 0.00 C ATOM 408 O ASP A 27 5.749 -0.307 5.662 1.00 0.00 O ATOM 409 CB ASP A 27 2.846 0.256 4.418 1.00 0.00 C ATOM 410 CG ASP A 27 2.999 1.503 5.265 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.067 2.609 4.687 1.00 0.00 O ATOM 412 OD2 ASP A 27 3.048 1.375 6.506 1.00 0.00 O ATOM 0 H ASP A 27 2.982 -1.160 2.400 1.00 0.00 H new ATOM 0 HA ASP A 27 4.751 0.632 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.156 0.459 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.402 -0.537 5.020 1.00 0.00 H new ATOM 417 N ALA A 28 4.808 -2.250 5.031 1.00 0.00 N ATOM 418 CA ALA A 28 5.519 -3.044 6.026 1.00 0.00 C ATOM 419 C ALA A 28 6.804 -3.625 5.448 1.00 0.00 C ATOM 420 O ALA A 28 7.852 -3.600 6.093 1.00 0.00 O ATOM 421 CB ALA A 28 4.623 -4.156 6.551 1.00 0.00 C ATOM 0 H ALA A 28 4.178 -2.787 4.434 1.00 0.00 H new ATOM 0 HA ALA A 28 5.789 -2.388 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.166 -4.741 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.735 -3.722 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.325 -4.803 5.726 1.00 0.00 H new ATOM 427 N ASN A 29 6.717 -4.148 4.230 1.00 0.00 N ATOM 428 CA ASN A 29 7.874 -4.737 3.566 1.00 0.00 C ATOM 429 C ASN A 29 7.807 -4.515 2.058 1.00 0.00 C ATOM 430 O ASN A 29 6.809 -4.839 1.416 1.00 0.00 O ATOM 431 CB ASN A 29 7.954 -6.235 3.869 1.00 0.00 C ATOM 432 CG ASN A 29 9.273 -6.843 3.432 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.341 -6.425 3.881 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.205 -7.835 2.552 1.00 0.00 N ATOM 0 H ASN A 29 5.857 -4.176 3.682 1.00 0.00 H new ATOM 0 HA ASN A 29 8.770 -4.247 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.820 -6.394 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.135 -6.749 3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.060 -8.283 2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.298 -8.149 2.207 1.00 0.00 H new ATOM 441 N ALA A 30 8.878 -3.960 1.499 1.00 0.00 N ATOM 442 CA ALA A 30 8.942 -3.697 0.067 1.00 0.00 C ATOM 443 C ALA A 30 10.112 -4.436 -0.575 1.00 0.00 C ATOM 444 O ALA A 30 10.463 -4.180 -1.727 1.00 0.00 O ATOM 445 CB ALA A 30 9.055 -2.202 -0.190 1.00 0.00 C ATOM 0 H ALA A 30 9.713 -3.684 2.016 1.00 0.00 H new ATOM 0 HA ALA A 30 8.021 -4.064 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.102 -2.020 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.185 -1.694 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.959 -1.819 0.283 1.00 0.00 H new ATOM 451 N TYR A 31 10.711 -5.352 0.177 1.00 0.00 N ATOM 452 CA TYR A 31 11.843 -6.126 -0.318 1.00 0.00 C ATOM 453 C TYR A 31 11.662 -7.611 -0.017 1.00 0.00 C ATOM 454 O TYR A 31 12.596 -8.309 0.377 1.00 0.00 O ATOM 455 CB TYR A 31 13.145 -5.622 0.309 1.00 0.00 C ATOM 456 CG TYR A 31 13.439 -4.170 0.008 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.675 -3.155 0.570 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.482 -3.813 -0.838 1.00 0.00 C ATOM 459 CE1 TYR A 31 12.940 -1.827 0.298 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.755 -2.488 -1.115 1.00 0.00 C ATOM 461 CZ TYR A 31 13.981 -1.498 -0.545 1.00 0.00 C ATOM 462 OH TYR A 31 14.249 -0.176 -0.818 1.00 0.00 O ATOM 0 H TYR A 31 10.432 -5.577 1.132 1.00 0.00 H new ATOM 0 HA TYR A 31 11.894 -5.997 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.095 -5.757 1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.972 -6.234 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.860 -3.409 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 31 15.090 -4.585 -1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.335 -1.050 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.570 -2.228 -1.774 1.00 0.00 H new ATOM 0 HH TYR A 31 15.014 -0.116 -1.428 1.00 0.00 H new ATOM 472 N PRO A 32 10.430 -8.105 -0.206 1.00 0.00 N ATOM 473 CA PRO A 32 10.095 -9.512 0.037 1.00 0.00 C ATOM 474 C PRO A 32 10.734 -10.445 -0.985 1.00 0.00 C ATOM 475 O PRO A 32 11.102 -10.023 -2.082 1.00 0.00 O ATOM 476 CB PRO A 32 8.570 -9.541 -0.091 1.00 0.00 C ATOM 477 CG PRO A 32 8.242 -8.388 -0.975 1.00 0.00 C ATOM 478 CD PRO A 32 9.268 -7.330 -0.674 1.00 0.00 C ATOM 0 HA PRO A 32 10.461 -9.857 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.227 -10.481 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.089 -9.443 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.278 -8.679 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.234 -8.021 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.508 -6.740 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.916 -6.634 0.087 1.00 0.00 H new ATOM 486 N LYS A 33 10.862 -11.716 -0.620 1.00 0.00 N ATOM 487 CA LYS A 33 11.455 -12.711 -1.506 1.00 0.00 C ATOM 488 C LYS A 33 10.376 -13.459 -2.283 1.00 0.00 C ATOM 489 O LYS A 33 9.187 -13.330 -1.993 1.00 0.00 O ATOM 490 CB LYS A 33 12.299 -13.702 -0.702 1.00 0.00 C ATOM 491 CG LYS A 33 13.223 -13.038 0.304 1.00 0.00 C ATOM 492 CD LYS A 33 14.547 -12.646 -0.330 1.00 0.00 C ATOM 493 CE LYS A 33 15.153 -11.429 0.352 1.00 0.00 C ATOM 494 NZ LYS A 33 14.708 -10.158 -0.283 1.00 0.00 N ATOM 0 H LYS A 33 10.563 -12.082 0.284 1.00 0.00 H new ATOM 0 HA LYS A 33 12.096 -12.191 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.635 -14.388 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.895 -14.301 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.739 -12.152 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.404 -13.717 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.243 -13.483 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.396 -12.434 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.873 -11.426 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.240 -11.494 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.490 -9.472 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.423 -10.342 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.900 -9.771 0.245 1.00 0.00 H new ATOM 508 N ASP A 34 10.799 -14.242 -3.270 1.00 0.00 N ATOM 509 CA ASP A 34 9.869 -15.013 -4.086 1.00 0.00 C ATOM 510 C ASP A 34 8.839 -15.723 -3.214 1.00 0.00 C ATOM 511 O ASP A 34 7.638 -15.660 -3.477 1.00 0.00 O ATOM 512 CB ASP A 34 10.628 -16.035 -4.935 1.00 0.00 C ATOM 513 CG ASP A 34 11.113 -15.451 -6.247 1.00 0.00 C ATOM 514 OD1 ASP A 34 10.311 -15.392 -7.202 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.295 -15.055 -6.320 1.00 0.00 O ATOM 0 H ASP A 34 11.780 -14.359 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 34 9.345 -14.322 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.481 -16.410 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.980 -16.888 -5.138 1.00 0.00 H new ATOM 520 N ASP A 35 9.317 -16.399 -2.175 1.00 0.00 N ATOM 521 CA ASP A 35 8.438 -17.121 -1.263 1.00 0.00 C ATOM 522 C ASP A 35 7.319 -16.217 -0.756 1.00 0.00 C ATOM 523 O ASP A 35 6.151 -16.603 -0.751 1.00 0.00 O ATOM 524 CB ASP A 35 9.237 -17.676 -0.082 1.00 0.00 C ATOM 525 CG ASP A 35 8.638 -18.953 0.473 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.515 -19.933 -0.292 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.294 -18.974 1.673 1.00 0.00 O ATOM 0 H ASP A 35 10.308 -16.462 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 35 7.990 -17.950 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.262 -17.867 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.281 -16.926 0.708 1.00 0.00 H new ATOM 532 N GLU A 36 7.686 -15.012 -0.330 1.00 0.00 N ATOM 533 CA GLU A 36 6.712 -14.054 0.181 1.00 0.00 C ATOM 534 C GLU A 36 5.766 -13.598 -0.926 1.00 0.00 C ATOM 535 O GLU A 36 4.545 -13.638 -0.770 1.00 0.00 O ATOM 536 CB GLU A 36 7.425 -12.844 0.789 1.00 0.00 C ATOM 537 CG GLU A 36 8.315 -13.192 1.970 1.00 0.00 C ATOM 538 CD GLU A 36 7.533 -13.733 3.151 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.209 -14.939 3.147 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.245 -12.949 4.080 1.00 0.00 O ATOM 0 H GLU A 36 8.649 -14.676 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 36 6.126 -14.548 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.029 -12.364 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.679 -12.116 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.053 -13.931 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.865 -12.303 2.280 1.00 0.00 H new ATOM 547 N PHE A 37 6.338 -13.164 -2.044 1.00 0.00 N ATOM 548 CA PHE A 37 5.547 -12.698 -3.177 1.00 0.00 C ATOM 549 C PHE A 37 4.428 -13.684 -3.500 1.00 0.00 C ATOM 550 O PHE A 37 3.329 -13.286 -3.884 1.00 0.00 O ATOM 551 CB PHE A 37 6.440 -12.502 -4.404 1.00 0.00 C ATOM 552 CG PHE A 37 7.017 -11.120 -4.510 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.292 -10.095 -5.096 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.285 -10.845 -4.024 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.821 -8.822 -5.196 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.820 -9.574 -4.121 1.00 0.00 C ATOM 557 CZ PHE A 37 8.086 -8.561 -4.707 1.00 0.00 C ATOM 0 H PHE A 37 7.347 -13.125 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 37 5.099 -11.742 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.254 -13.226 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.861 -12.715 -5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.302 -10.293 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.862 -11.633 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.246 -8.032 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.810 -9.373 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.501 -7.567 -4.783 1.00 0.00 H new ATOM 567 N GLU A 38 4.717 -14.971 -3.342 1.00 0.00 N ATOM 568 CA GLU A 38 3.736 -16.014 -3.619 1.00 0.00 C ATOM 569 C GLU A 38 2.490 -15.832 -2.756 1.00 0.00 C ATOM 570 O GLU A 38 1.366 -15.987 -3.232 1.00 0.00 O ATOM 571 CB GLU A 38 4.344 -17.396 -3.371 1.00 0.00 C ATOM 572 CG GLU A 38 5.179 -17.911 -4.531 1.00 0.00 C ATOM 573 CD GLU A 38 4.355 -18.158 -5.779 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.636 -19.177 -5.824 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.429 -17.330 -6.711 1.00 0.00 O ATOM 0 H GLU A 38 5.622 -15.317 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 38 3.446 -15.935 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.966 -17.355 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.542 -18.106 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.965 -17.190 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.671 -18.838 -4.236 1.00 0.00 H new ATOM 582 N GLN A 39 2.701 -15.502 -1.486 1.00 0.00 N ATOM 583 CA GLN A 39 1.595 -15.299 -0.557 1.00 0.00 C ATOM 584 C GLN A 39 0.580 -14.313 -1.125 1.00 0.00 C ATOM 585 O GLN A 39 -0.625 -14.565 -1.104 1.00 0.00 O ATOM 586 CB GLN A 39 2.118 -14.793 0.788 1.00 0.00 C ATOM 587 CG GLN A 39 3.025 -15.784 1.501 1.00 0.00 C ATOM 588 CD GLN A 39 2.249 -16.848 2.253 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.667 -17.750 1.651 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.238 -16.747 3.577 1.00 0.00 N ATOM 0 H GLN A 39 3.626 -15.370 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 39 1.098 -16.258 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.664 -13.863 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.271 -14.559 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.678 -16.263 0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.667 -15.246 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.735 -15.982 4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.733 -17.434 4.137 1.00 0.00 H new ATOM 599 N LEU A 40 1.075 -13.189 -1.632 1.00 0.00 N ATOM 600 CA LEU A 40 0.211 -12.163 -2.206 1.00 0.00 C ATOM 601 C LEU A 40 -0.303 -12.589 -3.577 1.00 0.00 C ATOM 602 O LEU A 40 -1.461 -12.349 -3.920 1.00 0.00 O ATOM 603 CB LEU A 40 0.966 -10.838 -2.320 1.00 0.00 C ATOM 604 CG LEU A 40 1.430 -10.214 -1.003 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.692 -9.393 -1.217 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.327 -9.354 -0.403 1.00 0.00 C ATOM 0 H LEU A 40 2.070 -12.965 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.644 -12.030 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.840 -10.994 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.325 -10.121 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 40 1.659 -11.017 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.007 -8.957 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.484 -10.036 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.491 -8.597 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.674 -8.918 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.067 -8.557 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.552 -9.970 -0.212 1.00 0.00 H new ATOM 618 N SER A 41 0.566 -13.224 -4.358 1.00 0.00 N ATOM 619 CA SER A 41 0.201 -13.682 -5.693 1.00 0.00 C ATOM 620 C SER A 41 -0.922 -14.713 -5.626 1.00 0.00 C ATOM 621 O SER A 41 -1.747 -14.808 -6.533 1.00 0.00 O ATOM 622 CB SER A 41 1.417 -14.283 -6.399 1.00 0.00 C ATOM 623 OG SER A 41 1.512 -15.676 -6.156 1.00 0.00 O ATOM 0 H SER A 41 1.527 -13.433 -4.089 1.00 0.00 H new ATOM 0 HA SER A 41 -0.152 -12.821 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.345 -14.102 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.324 -13.788 -6.052 1.00 0.00 H new ATOM 0 HG SER A 41 1.470 -15.843 -5.191 1.00 0.00 H new ATOM 629 N ASN A 42 -0.946 -15.483 -4.543 1.00 0.00 N ATOM 630 CA ASN A 42 -1.967 -16.507 -4.355 1.00 0.00 C ATOM 631 C ASN A 42 -3.258 -15.897 -3.816 1.00 0.00 C ATOM 632 O ASN A 42 -4.356 -16.347 -4.146 1.00 0.00 O ATOM 633 CB ASN A 42 -1.463 -17.590 -3.399 1.00 0.00 C ATOM 634 CG ASN A 42 -0.619 -18.635 -4.103 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.099 -19.344 -4.987 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.646 -18.735 -3.712 1.00 0.00 N ATOM 0 H ASN A 42 -0.270 -15.417 -3.782 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.177 -16.957 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.876 -17.126 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.315 -18.075 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.262 -19.421 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.002 -18.126 -2.975 1.00 0.00 H new ATOM 643 N LEU A 43 -3.118 -14.870 -2.985 1.00 0.00 N ATOM 644 CA LEU A 43 -4.272 -14.197 -2.400 1.00 0.00 C ATOM 645 C LEU A 43 -5.016 -13.380 -3.451 1.00 0.00 C ATOM 646 O LEU A 43 -6.204 -13.598 -3.697 1.00 0.00 O ATOM 647 CB LEU A 43 -3.829 -13.289 -1.251 1.00 0.00 C ATOM 648 CG LEU A 43 -4.830 -12.217 -0.819 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.139 -12.854 -0.379 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.248 -11.364 0.299 1.00 0.00 C ATOM 0 H LEU A 43 -2.217 -14.485 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.949 -14.959 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.601 -13.914 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.901 -12.796 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.033 -11.572 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.839 -12.075 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.564 -13.421 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.954 -13.523 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.974 -10.606 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.015 -11.996 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.338 -10.877 -0.051 1.00 0.00 H new ATOM 662 N LEU A 44 -4.311 -12.439 -4.070 1.00 0.00 N ATOM 663 CA LEU A 44 -4.905 -11.590 -5.097 1.00 0.00 C ATOM 664 C LEU A 44 -5.082 -12.358 -6.403 1.00 0.00 C ATOM 665 O LEU A 44 -5.780 -11.907 -7.310 1.00 0.00 O ATOM 666 CB LEU A 44 -4.032 -10.356 -5.333 1.00 0.00 C ATOM 667 CG LEU A 44 -3.682 -9.534 -4.091 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.610 -8.507 -4.416 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.924 -8.854 -3.535 1.00 0.00 C ATOM 0 H LEU A 44 -3.328 -12.245 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.887 -11.272 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.104 -10.677 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.542 -9.705 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.290 -10.209 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.374 -7.932 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.713 -9.016 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.974 -7.835 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.657 -8.274 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.345 -8.191 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.661 -9.609 -3.263 1.00 0.00 H new ATOM 681 N ASN A 45 -4.446 -13.522 -6.490 1.00 0.00 N ATOM 682 CA ASN A 45 -4.535 -14.354 -7.684 1.00 0.00 C ATOM 683 C ASN A 45 -3.872 -13.669 -8.875 1.00 0.00 C ATOM 684 O ASN A 45 -4.287 -13.851 -10.021 1.00 0.00 O ATOM 685 CB ASN A 45 -5.998 -14.662 -8.009 1.00 0.00 C ATOM 686 CG ASN A 45 -6.144 -15.823 -8.973 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.050 -15.651 -10.189 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.377 -17.014 -8.434 1.00 0.00 N ATOM 0 H ASN A 45 -3.864 -13.910 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.009 -15.288 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.532 -14.890 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.466 -13.776 -8.438 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.486 -17.832 -9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.447 -17.110 -7.421 1.00 0.00 H new ATOM 695 N LEU A 46 -2.839 -12.881 -8.597 1.00 0.00 N ATOM 696 CA LEU A 46 -2.117 -12.168 -9.646 1.00 0.00 C ATOM 697 C LEU A 46 -0.705 -12.722 -9.807 1.00 0.00 C ATOM 698 O LEU A 46 -0.115 -13.269 -8.874 1.00 0.00 O ATOM 699 CB LEU A 46 -2.057 -10.674 -9.325 1.00 0.00 C ATOM 700 CG LEU A 46 -3.401 -9.949 -9.249 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.209 -8.513 -8.786 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.104 -9.987 -10.598 1.00 0.00 C ATOM 0 H LEU A 46 -2.483 -12.720 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.653 -12.311 -10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.545 -10.548 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.445 -10.184 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.028 -10.462 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.177 -8.014 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.749 -8.508 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.564 -7.987 -9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.059 -9.466 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.481 -9.499 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.277 -11.023 -10.889 1.00 0.00 H new ATOM 714 N PRO A 47 -0.146 -12.577 -11.018 1.00 0.00 N ATOM 715 CA PRO A 47 1.204 -13.054 -11.329 1.00 0.00 C ATOM 716 C PRO A 47 2.284 -12.238 -10.626 1.00 0.00 C ATOM 717 O PRO A 47 2.283 -11.007 -10.682 1.00 0.00 O ATOM 718 CB PRO A 47 1.303 -12.875 -12.846 1.00 0.00 C ATOM 719 CG PRO A 47 0.334 -11.788 -13.163 1.00 0.00 C ATOM 720 CD PRO A 47 -0.791 -11.935 -12.176 1.00 0.00 C ATOM 0 HA PRO A 47 1.360 -14.080 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.315 -12.604 -13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.050 -13.796 -13.371 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.804 -10.808 -13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.031 -11.877 -14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.223 -10.970 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.600 -12.547 -12.576 1.00 0.00 H new ATOM 728 N THR A 48 3.205 -12.930 -9.963 1.00 0.00 N ATOM 729 CA THR A 48 4.290 -12.270 -9.248 1.00 0.00 C ATOM 730 C THR A 48 4.918 -11.170 -10.096 1.00 0.00 C ATOM 731 O THR A 48 5.330 -10.132 -9.578 1.00 0.00 O ATOM 732 CB THR A 48 5.384 -13.273 -8.836 1.00 0.00 C ATOM 733 OG1 THR A 48 5.635 -14.191 -9.907 1.00 0.00 O ATOM 734 CG2 THR A 48 4.972 -14.041 -7.589 1.00 0.00 C ATOM 0 H THR A 48 3.221 -13.948 -9.906 1.00 0.00 H new ATOM 0 HA THR A 48 3.855 -11.830 -8.351 1.00 0.00 H new ATOM 0 HB THR A 48 6.294 -12.715 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.333 -14.824 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.760 -14.743 -7.317 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.810 -13.342 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.051 -14.589 -7.787 1.00 0.00 H new ATOM 742 N ARG A 49 4.988 -11.404 -11.403 1.00 0.00 N ATOM 743 CA ARG A 49 5.567 -10.432 -12.323 1.00 0.00 C ATOM 744 C ARG A 49 4.848 -9.090 -12.219 1.00 0.00 C ATOM 745 O ARG A 49 5.469 -8.032 -12.325 1.00 0.00 O ATOM 746 CB ARG A 49 5.494 -10.952 -13.760 1.00 0.00 C ATOM 747 CG ARG A 49 4.174 -10.651 -14.450 1.00 0.00 C ATOM 748 CD ARG A 49 4.215 -9.314 -15.173 1.00 0.00 C ATOM 749 NE ARG A 49 4.950 -9.395 -16.432 1.00 0.00 N ATOM 750 CZ ARG A 49 4.407 -9.796 -17.576 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.130 -10.151 -17.619 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.142 -9.843 -18.680 1.00 0.00 N ATOM 0 H ARG A 49 4.651 -12.258 -11.848 1.00 0.00 H new ATOM 0 HA ARG A 49 6.612 -10.287 -12.049 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.306 -10.511 -14.339 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.655 -12.030 -13.756 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.945 -11.444 -15.162 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.371 -10.643 -13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.197 -8.976 -15.369 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.680 -8.568 -14.529 1.00 0.00 H new ATOM 0 HE ARG A 49 5.935 -9.129 -16.433 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.562 -10.116 -16.772 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.716 -10.459 -18.499 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.125 -9.571 -18.650 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.724 -10.151 -19.558 1.00 0.00 H new ATOM 766 N VAL A 50 3.536 -9.141 -12.012 1.00 0.00 N ATOM 767 CA VAL A 50 2.733 -7.930 -11.894 1.00 0.00 C ATOM 768 C VAL A 50 2.933 -7.269 -10.535 1.00 0.00 C ATOM 769 O VAL A 50 2.988 -6.043 -10.433 1.00 0.00 O ATOM 770 CB VAL A 50 1.235 -8.229 -12.091 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.387 -7.085 -11.557 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.932 -8.487 -13.559 1.00 0.00 C ATOM 0 H VAL A 50 3.007 -10.008 -11.923 1.00 0.00 H new ATOM 0 HA VAL A 50 3.067 -7.251 -12.678 1.00 0.00 H new ATOM 0 HB VAL A 50 0.985 -9.128 -11.528 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.668 -7.314 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.584 -6.952 -10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.637 -6.167 -12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.131 -8.697 -13.680 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.197 -7.607 -14.145 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.512 -9.342 -13.905 1.00 0.00 H new ATOM 782 N ILE A 51 3.043 -8.088 -9.495 1.00 0.00 N ATOM 783 CA ILE A 51 3.239 -7.582 -8.142 1.00 0.00 C ATOM 784 C ILE A 51 4.649 -7.028 -7.961 1.00 0.00 C ATOM 785 O ILE A 51 4.863 -6.084 -7.201 1.00 0.00 O ATOM 786 CB ILE A 51 2.992 -8.678 -7.089 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.692 -9.425 -7.394 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.947 -8.073 -5.694 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.482 -10.650 -6.531 1.00 0.00 C ATOM 0 H ILE A 51 3.000 -9.105 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 51 2.514 -6.781 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 51 3.816 -9.390 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.851 -8.745 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.692 -9.724 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.772 -8.861 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.896 -7.583 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.141 -7.342 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.541 -11.129 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.304 -11.349 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.450 -10.355 -5.482 1.00 0.00 H new ATOM 801 N VAL A 52 5.607 -7.620 -8.667 1.00 0.00 N ATOM 802 CA VAL A 52 6.996 -7.184 -8.588 1.00 0.00 C ATOM 803 C VAL A 52 7.162 -5.774 -9.143 1.00 0.00 C ATOM 804 O VAL A 52 7.673 -4.884 -8.463 1.00 0.00 O ATOM 805 CB VAL A 52 7.928 -8.139 -9.356 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.362 -7.631 -9.318 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.837 -9.546 -8.785 1.00 0.00 C ATOM 0 H VAL A 52 5.446 -8.403 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 52 7.270 -7.191 -7.533 1.00 0.00 H new ATOM 0 HB VAL A 52 7.607 -8.173 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.006 -8.319 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.411 -6.644 -9.778 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.698 -7.566 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.502 -10.208 -9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.131 -9.532 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.812 -9.908 -8.870 1.00 0.00 H new ATOM 817 N VAL A 53 6.726 -5.576 -10.383 1.00 0.00 N ATOM 818 CA VAL A 53 6.824 -4.273 -11.029 1.00 0.00 C ATOM 819 C VAL A 53 6.203 -3.182 -10.164 1.00 0.00 C ATOM 820 O VAL A 53 6.727 -2.072 -10.078 1.00 0.00 O ATOM 821 CB VAL A 53 6.134 -4.276 -12.406 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.173 -2.888 -13.027 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.784 -5.299 -13.326 1.00 0.00 C ATOM 0 H VAL A 53 6.301 -6.302 -10.960 1.00 0.00 H new ATOM 0 HA VAL A 53 7.886 -4.066 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 53 5.090 -4.557 -12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.681 -2.910 -13.999 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.657 -2.183 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.209 -2.574 -13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.284 -5.287 -14.294 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.837 -5.052 -13.459 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.697 -6.292 -12.885 1.00 0.00 H new ATOM 833 N TRP A 54 5.085 -3.506 -9.526 1.00 0.00 N ATOM 834 CA TRP A 54 4.392 -2.553 -8.666 1.00 0.00 C ATOM 835 C TRP A 54 5.224 -2.230 -7.430 1.00 0.00 C ATOM 836 O TRP A 54 5.364 -1.067 -7.050 1.00 0.00 O ATOM 837 CB TRP A 54 3.030 -3.108 -8.248 1.00 0.00 C ATOM 838 CG TRP A 54 2.199 -2.127 -7.479 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.157 -1.383 -7.956 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.341 -1.781 -6.097 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.644 -0.596 -6.954 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.352 -0.822 -5.803 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.206 -2.190 -5.078 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.207 -0.267 -4.534 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.061 -1.638 -3.820 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.068 -0.685 -3.556 1.00 0.00 C ATOM 0 H TRP A 54 4.638 -4.421 -9.587 1.00 0.00 H new ATOM 0 HA TRP A 54 4.243 -1.633 -9.232 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.483 -3.417 -9.139 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.180 -4.001 -7.641 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.791 -1.410 -8.972 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.138 0.052 -7.051 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.974 -2.924 -5.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.442 0.467 -4.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.725 -1.946 -3.026 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.981 -0.273 -2.562 1.00 0.00 H new ATOM 857 N PHE A 55 5.776 -3.266 -6.806 1.00 0.00 N ATOM 858 CA PHE A 55 6.594 -3.092 -5.612 1.00 0.00 C ATOM 859 C PHE A 55 7.870 -2.321 -5.935 1.00 0.00 C ATOM 860 O PHE A 55 8.294 -1.455 -5.170 1.00 0.00 O ATOM 861 CB PHE A 55 6.946 -4.452 -5.006 1.00 0.00 C ATOM 862 CG PHE A 55 5.956 -4.925 -3.980 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.638 -5.171 -4.331 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.343 -5.124 -2.665 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.725 -5.607 -3.390 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.434 -5.560 -1.719 1.00 0.00 C ATOM 867 CZ PHE A 55 4.123 -5.801 -2.082 1.00 0.00 C ATOM 0 H PHE A 55 5.671 -4.235 -7.108 1.00 0.00 H new ATOM 0 HA PHE A 55 6.017 -2.518 -4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.011 -5.191 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.933 -4.392 -4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.321 -5.020 -5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.366 -4.936 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.701 -5.796 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.749 -5.712 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.411 -6.140 -1.344 1.00 0.00 H new ATOM 877 N GLN A 56 8.477 -2.643 -7.072 1.00 0.00 N ATOM 878 CA GLN A 56 9.706 -1.982 -7.496 1.00 0.00 C ATOM 879 C GLN A 56 9.513 -0.471 -7.570 1.00 0.00 C ATOM 880 O GLN A 56 10.231 0.289 -6.921 1.00 0.00 O ATOM 881 CB GLN A 56 10.155 -2.518 -8.856 1.00 0.00 C ATOM 882 CG GLN A 56 10.915 -3.832 -8.772 1.00 0.00 C ATOM 883 CD GLN A 56 11.890 -4.017 -9.918 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.204 -3.071 -10.640 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.375 -5.241 -10.091 1.00 0.00 N ATOM 0 H GLN A 56 8.138 -3.357 -7.716 1.00 0.00 H new ATOM 0 HA GLN A 56 10.478 -2.196 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.279 -2.654 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.786 -1.773 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.458 -3.873 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.204 -4.659 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.087 -5.996 -9.469 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.035 -5.426 -10.846 1.00 0.00 H new ATOM 894 N ASN A 57 8.539 -0.041 -8.366 1.00 0.00 N ATOM 895 CA ASN A 57 8.253 1.380 -8.525 1.00 0.00 C ATOM 896 C ASN A 57 7.926 2.023 -7.181 1.00 0.00 C ATOM 897 O ASN A 57 8.487 3.059 -6.824 1.00 0.00 O ATOM 898 CB ASN A 57 7.087 1.581 -9.496 1.00 0.00 C ATOM 899 CG ASN A 57 7.516 1.462 -10.946 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.172 2.353 -11.485 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.144 0.359 -11.584 1.00 0.00 N ATOM 0 H ASN A 57 7.935 -0.656 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 57 9.143 1.861 -8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.312 0.843 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.645 2.563 -9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.402 0.224 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.601 -0.353 -11.097 1.00 0.00 H new ATOM 908 N ALA A 58 7.016 1.401 -6.439 1.00 0.00 N ATOM 909 CA ALA A 58 6.616 1.911 -5.133 1.00 0.00 C ATOM 910 C ALA A 58 7.831 2.339 -4.316 1.00 0.00 C ATOM 911 O ALA A 58 7.795 3.352 -3.618 1.00 0.00 O ATOM 912 CB ALA A 58 5.814 0.861 -4.379 1.00 0.00 C ATOM 0 H ALA A 58 6.542 0.543 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 58 5.988 2.788 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.522 1.256 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.921 0.606 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.423 -0.032 -4.240 1.00 0.00 H new ATOM 918 N ARG A 59 8.904 1.561 -4.408 1.00 0.00 N ATOM 919 CA ARG A 59 10.129 1.859 -3.675 1.00 0.00 C ATOM 920 C ARG A 59 10.819 3.093 -4.250 1.00 0.00 C ATOM 921 O ARG A 59 11.275 3.962 -3.507 1.00 0.00 O ATOM 922 CB ARG A 59 11.080 0.662 -3.721 1.00 0.00 C ATOM 923 CG ARG A 59 10.586 -0.538 -2.930 1.00 0.00 C ATOM 924 CD ARG A 59 11.602 -1.670 -2.943 1.00 0.00 C ATOM 925 NE ARG A 59 11.406 -2.568 -4.078 1.00 0.00 N ATOM 926 CZ ARG A 59 12.232 -3.565 -4.378 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.304 -3.789 -3.631 1.00 0.00 N ATOM 928 NH2 ARG A 59 11.986 -4.339 -5.427 1.00 0.00 N ATOM 0 H ARG A 59 8.950 0.720 -4.983 1.00 0.00 H new ATOM 0 HA ARG A 59 9.862 2.062 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.228 0.366 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.053 0.966 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.385 -0.239 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.643 -0.889 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.609 -1.253 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.525 -2.237 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 59 10.591 -2.422 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.496 -3.196 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.936 -4.555 -3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.162 -4.169 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.621 -5.104 -5.656 1.00 0.00 H new