USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 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= -0.0196 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.1!) USER MOD Single : A 23 GLN : amide:sc= -0.874 K(o=-0.87,f=-0.21) USER MOD Single : A 29 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.28) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.439 K(o=-0.44,f=-2.1!) USER MOD Single : A 41 SER OG : rot -52:sc= 0.68 USER MOD Single : A 42 ASN : amide:sc= 0.109 X(o=0.11,f=-0.02) USER MOD Single : A 45 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.9) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.849 K(o=-0.85,f=-0.042) USER MOD Single : A 57 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.271 -2.470 -10.818 1.00 0.00 N ATOM 175 CA PHE A 14 -5.666 -3.076 -9.552 1.00 0.00 C ATOM 176 C PHE A 14 -6.785 -2.276 -8.892 1.00 0.00 C ATOM 177 O PHE A 14 -6.929 -1.076 -9.128 1.00 0.00 O ATOM 178 CB PHE A 14 -4.465 -3.168 -8.609 1.00 0.00 C ATOM 179 CG PHE A 14 -3.187 -3.546 -9.302 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.356 -2.571 -9.832 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.816 -4.875 -9.424 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.179 -2.916 -10.470 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.640 -5.225 -10.060 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.821 -4.244 -10.585 1.00 0.00 C ATOM 0 HA PHE A 14 -6.034 -4.081 -9.758 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.329 -2.208 -8.112 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.679 -3.902 -7.832 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.631 -1.530 -9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.453 -5.647 -9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.540 -2.147 -10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.361 -6.265 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.097 -4.516 -11.084 1.00 0.00 H new ATOM 194 N THR A 15 -7.577 -2.949 -8.063 1.00 0.00 N ATOM 195 CA THR A 15 -8.684 -2.303 -7.369 1.00 0.00 C ATOM 196 C THR A 15 -8.379 -2.133 -5.885 1.00 0.00 C ATOM 197 O THR A 15 -7.540 -2.842 -5.329 1.00 0.00 O ATOM 198 CB THR A 15 -9.989 -3.106 -7.525 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.087 -2.366 -6.979 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.882 -4.453 -6.827 1.00 0.00 C ATOM 0 H THR A 15 -7.472 -3.942 -7.856 1.00 0.00 H new ATOM 0 HA THR A 15 -8.813 -1.321 -7.825 1.00 0.00 H new ATOM 0 HB THR A 15 -10.159 -3.278 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.913 -2.882 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.815 -5.002 -6.951 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.064 -5.025 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.690 -4.298 -5.765 1.00 0.00 H new ATOM 208 N ASP A 16 -9.066 -1.191 -5.249 1.00 0.00 N ATOM 209 CA ASP A 16 -8.869 -0.929 -3.828 1.00 0.00 C ATOM 210 C ASP A 16 -8.553 -2.219 -3.077 1.00 0.00 C ATOM 211 O ASP A 16 -7.628 -2.266 -2.266 1.00 0.00 O ATOM 212 CB ASP A 16 -10.114 -0.269 -3.232 1.00 0.00 C ATOM 213 CG ASP A 16 -10.644 0.855 -4.100 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.112 1.981 -4.004 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.591 0.608 -4.876 1.00 0.00 O ATOM 0 H ASP A 16 -9.764 -0.596 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.022 -0.251 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.892 -1.021 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.877 0.121 -2.242 1.00 0.00 H new ATOM 220 N TYR A 17 -9.328 -3.262 -3.351 1.00 0.00 N ATOM 221 CA TYR A 17 -9.133 -4.551 -2.698 1.00 0.00 C ATOM 222 C TYR A 17 -7.704 -5.049 -2.891 1.00 0.00 C ATOM 223 O TYR A 17 -7.043 -5.455 -1.936 1.00 0.00 O ATOM 224 CB TYR A 17 -10.122 -5.580 -3.249 1.00 0.00 C ATOM 225 CG TYR A 17 -9.710 -7.013 -2.996 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.239 -7.411 -1.751 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.790 -7.968 -4.002 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.860 -8.718 -1.515 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.415 -9.278 -3.774 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.951 -9.648 -2.529 1.00 0.00 C ATOM 231 OH TYR A 17 -8.575 -10.952 -2.299 1.00 0.00 O ATOM 0 H TYR A 17 -10.097 -3.240 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.312 -4.420 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.100 -5.408 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.232 -5.427 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.168 -6.686 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.151 -7.681 -4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.494 -9.010 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.485 -10.008 -4.566 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.702 -11.478 -3.116 1.00 0.00 H new ATOM 241 N GLN A 18 -7.235 -5.013 -4.134 1.00 0.00 N ATOM 242 CA GLN A 18 -5.884 -5.461 -4.453 1.00 0.00 C ATOM 243 C GLN A 18 -4.846 -4.468 -3.939 1.00 0.00 C ATOM 244 O GLN A 18 -3.919 -4.840 -3.218 1.00 0.00 O ATOM 245 CB GLN A 18 -5.728 -5.643 -5.964 1.00 0.00 C ATOM 246 CG GLN A 18 -6.728 -6.618 -6.565 1.00 0.00 C ATOM 247 CD GLN A 18 -6.183 -7.336 -7.784 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.710 -6.706 -8.730 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.245 -8.662 -7.767 1.00 0.00 N ATOM 0 H GLN A 18 -7.769 -4.679 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.720 -6.419 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.839 -4.675 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.718 -5.993 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.011 -7.353 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.634 -6.079 -6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.645 -9.144 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.892 -9.199 -8.559 1.00 0.00 H new ATOM 258 N LEU A 19 -5.008 -3.204 -4.315 1.00 0.00 N ATOM 259 CA LEU A 19 -4.084 -2.157 -3.892 1.00 0.00 C ATOM 260 C LEU A 19 -3.951 -2.129 -2.373 1.00 0.00 C ATOM 261 O LEU A 19 -2.912 -1.741 -1.838 1.00 0.00 O ATOM 262 CB LEU A 19 -4.561 -0.794 -4.399 1.00 0.00 C ATOM 263 CG LEU A 19 -4.465 -0.569 -5.908 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.184 0.712 -6.303 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.009 -0.522 -6.349 1.00 0.00 C ATOM 0 H LEU A 19 -5.769 -2.880 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.105 -2.375 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.600 -0.659 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.981 -0.019 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.950 -1.405 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.105 0.856 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.235 0.641 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.728 1.558 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.960 -0.361 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.500 0.294 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.523 -1.465 -6.101 1.00 0.00 H new ATOM 277 N ARG A 20 -5.008 -2.545 -1.683 1.00 0.00 N ATOM 278 CA ARG A 20 -5.009 -2.569 -0.226 1.00 0.00 C ATOM 279 C ARG A 20 -3.989 -3.574 0.302 1.00 0.00 C ATOM 280 O ARG A 20 -3.212 -3.269 1.207 1.00 0.00 O ATOM 281 CB ARG A 20 -6.403 -2.917 0.299 1.00 0.00 C ATOM 282 CG ARG A 20 -6.519 -2.846 1.813 1.00 0.00 C ATOM 283 CD ARG A 20 -5.964 -4.099 2.473 1.00 0.00 C ATOM 284 NE ARG A 20 -6.578 -4.350 3.774 1.00 0.00 N ATOM 285 CZ ARG A 20 -6.204 -3.741 4.893 1.00 0.00 C ATOM 286 NH1 ARG A 20 -5.224 -2.849 4.870 1.00 0.00 N ATOM 287 NH2 ARG A 20 -6.812 -4.023 6.039 1.00 0.00 N ATOM 0 H ARG A 20 -5.875 -2.870 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.732 -1.576 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.129 -2.236 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.665 -3.922 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.981 -1.972 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.565 -2.718 2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.132 -4.957 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.886 -3.997 2.595 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.336 -5.031 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.755 -2.629 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.939 -2.383 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.567 -4.708 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.524 -3.555 6.898 1.00 0.00 H new ATOM 301 N VAL A 21 -3.999 -4.774 -0.269 1.00 0.00 N ATOM 302 CA VAL A 21 -3.075 -5.824 0.144 1.00 0.00 C ATOM 303 C VAL A 21 -1.661 -5.535 -0.346 1.00 0.00 C ATOM 304 O VAL A 21 -0.687 -5.730 0.383 1.00 0.00 O ATOM 305 CB VAL A 21 -3.519 -7.201 -0.385 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.519 -8.275 0.016 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.912 -7.542 0.121 1.00 0.00 C ATOM 0 H VAL A 21 -4.636 -5.043 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.082 -5.842 1.234 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.553 -7.159 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.849 -9.241 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.541 -8.035 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.449 -8.320 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.210 -8.518 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.907 -7.566 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.619 -6.786 -0.222 1.00 0.00 H new ATOM 317 N LEU A 22 -1.554 -5.070 -1.586 1.00 0.00 N ATOM 318 CA LEU A 22 -0.257 -4.753 -2.175 1.00 0.00 C ATOM 319 C LEU A 22 0.406 -3.593 -1.439 1.00 0.00 C ATOM 320 O LEU A 22 1.589 -3.654 -1.105 1.00 0.00 O ATOM 321 CB LEU A 22 -0.419 -4.406 -3.656 1.00 0.00 C ATOM 322 CG LEU A 22 -0.965 -5.519 -4.550 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.371 -4.964 -5.906 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.066 -6.627 -4.713 1.00 0.00 C ATOM 0 H LEU A 22 -2.349 -4.904 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 22 0.382 -5.631 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.082 -3.545 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.552 -4.098 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.850 -5.940 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.757 -5.771 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.144 -4.207 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.503 -4.516 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.340 -7.411 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.969 -6.220 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.308 -7.045 -3.736 1.00 0.00 H new ATOM 336 N GLN A 23 -0.365 -2.540 -1.188 1.00 0.00 N ATOM 337 CA GLN A 23 0.149 -1.367 -0.490 1.00 0.00 C ATOM 338 C GLN A 23 0.416 -1.681 0.978 1.00 0.00 C ATOM 339 O GLN A 23 1.412 -1.235 1.548 1.00 0.00 O ATOM 340 CB GLN A 23 -0.841 -0.206 -0.603 1.00 0.00 C ATOM 341 CG GLN A 23 -0.239 1.144 -0.246 1.00 0.00 C ATOM 342 CD GLN A 23 0.722 1.652 -1.303 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.318 2.313 -2.260 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.003 1.345 -1.135 1.00 0.00 N ATOM 0 H GLN A 23 -1.347 -2.475 -1.457 1.00 0.00 H new ATOM 0 HA GLN A 23 1.090 -1.080 -0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.225 -0.165 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.691 -0.400 0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.040 1.870 -0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.284 1.064 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.294 0.795 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.696 1.659 -1.814 1.00 0.00 H new ATOM 353 N ASP A 24 -0.480 -2.452 1.586 1.00 0.00 N ATOM 354 CA ASP A 24 -0.340 -2.826 2.988 1.00 0.00 C ATOM 355 C ASP A 24 0.926 -3.648 3.208 1.00 0.00 C ATOM 356 O ASP A 24 1.641 -3.456 4.192 1.00 0.00 O ATOM 357 CB ASP A 24 -1.564 -3.619 3.451 1.00 0.00 C ATOM 358 CG ASP A 24 -1.464 -4.044 4.903 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.406 -3.155 5.778 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.444 -5.265 5.163 1.00 0.00 O ATOM 0 H ASP A 24 -1.310 -2.830 1.130 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.265 -1.911 3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.459 -3.012 3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.679 -4.503 2.824 1.00 0.00 H new ATOM 365 N PHE A 25 1.197 -4.566 2.285 1.00 0.00 N ATOM 366 CA PHE A 25 2.376 -5.419 2.379 1.00 0.00 C ATOM 367 C PHE A 25 3.649 -4.619 2.117 1.00 0.00 C ATOM 368 O PHE A 25 4.724 -4.961 2.610 1.00 0.00 O ATOM 369 CB PHE A 25 2.274 -6.577 1.383 1.00 0.00 C ATOM 370 CG PHE A 25 3.294 -7.655 1.612 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.637 -7.421 1.366 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.909 -8.904 2.073 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.578 -8.411 1.576 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.846 -9.898 2.286 1.00 0.00 C ATOM 375 CZ PHE A 25 5.181 -9.652 2.036 1.00 0.00 C ATOM 0 H PHE A 25 0.616 -4.738 1.464 1.00 0.00 H new ATOM 0 HA PHE A 25 2.423 -5.821 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.277 -7.012 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.390 -6.187 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.953 -6.453 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.866 -9.103 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.622 -8.215 1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.534 -10.866 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.914 -10.428 2.200 1.00 0.00 H new ATOM 385 N PHE A 26 3.519 -3.551 1.336 1.00 0.00 N ATOM 386 CA PHE A 26 4.658 -2.702 1.006 1.00 0.00 C ATOM 387 C PHE A 26 5.044 -1.824 2.193 1.00 0.00 C ATOM 388 O PHE A 26 6.213 -1.754 2.573 1.00 0.00 O ATOM 389 CB PHE A 26 4.334 -1.827 -0.206 1.00 0.00 C ATOM 390 CG PHE A 26 5.427 -0.856 -0.553 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.560 0.335 0.143 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.320 -1.133 -1.575 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.564 1.230 -0.175 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.326 -0.242 -1.897 1.00 0.00 C ATOM 395 CZ PHE A 26 7.448 0.941 -1.195 1.00 0.00 C ATOM 0 H PHE A 26 2.637 -3.253 0.920 1.00 0.00 H new ATOM 0 HA PHE A 26 5.503 -3.347 0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.142 -2.468 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.416 -1.273 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.872 0.566 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.229 -2.057 -2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.657 2.155 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.016 -0.470 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.234 1.639 -1.444 1.00 0.00 H new ATOM 405 N ASP A 27 4.053 -1.156 2.773 1.00 0.00 N ATOM 406 CA ASP A 27 4.288 -0.283 3.918 1.00 0.00 C ATOM 407 C ASP A 27 5.039 -1.022 5.021 1.00 0.00 C ATOM 408 O ASP A 27 5.777 -0.415 5.796 1.00 0.00 O ATOM 409 CB ASP A 27 2.961 0.252 4.458 1.00 0.00 C ATOM 410 CG ASP A 27 3.137 1.511 5.284 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.386 1.391 6.502 1.00 0.00 O ATOM 412 OD2 ASP A 27 3.026 2.616 4.713 1.00 0.00 O ATOM 0 H ASP A 27 3.080 -1.202 2.470 1.00 0.00 H new ATOM 0 HA ASP A 27 4.901 0.555 3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.290 0.459 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.485 -0.515 5.068 1.00 0.00 H new ATOM 417 N ALA A 28 4.845 -2.335 5.084 1.00 0.00 N ATOM 418 CA ALA A 28 5.505 -3.157 6.091 1.00 0.00 C ATOM 419 C ALA A 28 6.768 -3.802 5.532 1.00 0.00 C ATOM 420 O ALA A 28 7.798 -3.857 6.203 1.00 0.00 O ATOM 421 CB ALA A 28 4.551 -4.223 6.610 1.00 0.00 C ATOM 0 H ALA A 28 4.236 -2.852 4.450 1.00 0.00 H new ATOM 0 HA ALA A 28 5.795 -2.510 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.057 -4.829 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.679 -3.745 7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.232 -4.859 5.784 1.00 0.00 H new ATOM 427 N ASN A 29 6.682 -4.290 4.298 1.00 0.00 N ATOM 428 CA ASN A 29 7.819 -4.932 3.649 1.00 0.00 C ATOM 429 C ASN A 29 7.812 -4.663 2.148 1.00 0.00 C ATOM 430 O ASN A 29 6.828 -4.939 1.462 1.00 0.00 O ATOM 431 CB ASN A 29 7.795 -6.440 3.908 1.00 0.00 C ATOM 432 CG ASN A 29 9.107 -7.109 3.547 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.180 -6.649 3.937 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.026 -8.202 2.796 1.00 0.00 N ATOM 0 H ASN A 29 5.837 -4.253 3.728 1.00 0.00 H new ATOM 0 HA ASN A 29 8.732 -4.511 4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.575 -6.622 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.989 -6.892 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.875 -8.695 2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.115 -8.548 2.495 1.00 0.00 H new ATOM 441 N ALA A 30 8.916 -4.122 1.644 1.00 0.00 N ATOM 442 CA ALA A 30 9.038 -3.818 0.224 1.00 0.00 C ATOM 443 C ALA A 30 10.212 -4.565 -0.399 1.00 0.00 C ATOM 444 O ALA A 30 10.606 -4.289 -1.533 1.00 0.00 O ATOM 445 CB ALA A 30 9.196 -2.318 0.017 1.00 0.00 C ATOM 0 H ALA A 30 9.739 -3.885 2.198 1.00 0.00 H new ATOM 0 HA ALA A 30 8.126 -4.149 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.286 -2.105 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.324 -1.802 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.091 -1.972 0.533 1.00 0.00 H new ATOM 451 N TYR A 31 10.768 -5.512 0.349 1.00 0.00 N ATOM 452 CA TYR A 31 11.900 -6.298 -0.129 1.00 0.00 C ATOM 453 C TYR A 31 11.690 -7.782 0.152 1.00 0.00 C ATOM 454 O TYR A 31 12.603 -8.498 0.564 1.00 0.00 O ATOM 455 CB TYR A 31 13.194 -5.820 0.531 1.00 0.00 C ATOM 456 CG TYR A 31 13.263 -4.321 0.715 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.244 -3.465 -0.379 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.347 -3.760 1.984 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.307 -2.095 -0.216 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.408 -2.391 2.156 1.00 0.00 C ATOM 461 CZ TYR A 31 13.389 -1.563 1.054 1.00 0.00 C ATOM 462 OH TYR A 31 13.452 -0.198 1.221 1.00 0.00 O ATOM 0 H TYR A 31 10.453 -5.754 1.289 1.00 0.00 H new ATOM 0 HA TYR A 31 11.977 -6.159 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.295 -6.302 1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.041 -6.143 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.179 -3.878 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.365 -4.405 2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.292 -1.444 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.470 -1.971 3.149 1.00 0.00 H new ATOM 0 HH TYR A 31 13.505 0.013 2.177 1.00 0.00 H new ATOM 472 N PRO A 32 10.457 -8.258 -0.075 1.00 0.00 N ATOM 473 CA PRO A 32 10.096 -9.662 0.145 1.00 0.00 C ATOM 474 C PRO A 32 10.749 -10.594 -0.869 1.00 0.00 C ATOM 475 O PRO A 32 11.138 -10.170 -1.958 1.00 0.00 O ATOM 476 CB PRO A 32 8.575 -9.668 -0.024 1.00 0.00 C ATOM 477 CG PRO A 32 8.287 -8.502 -0.905 1.00 0.00 C ATOM 478 CD PRO A 32 9.319 -7.462 -0.566 1.00 0.00 C ATOM 0 HA PRO A 32 10.431 -10.022 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.230 -10.599 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.070 -9.572 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.347 -8.783 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.280 -8.123 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.591 -6.867 -1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.957 -6.769 0.193 1.00 0.00 H new ATOM 486 N LYS A 33 10.867 -11.867 -0.506 1.00 0.00 N ATOM 487 CA LYS A 33 11.471 -12.861 -1.385 1.00 0.00 C ATOM 488 C LYS A 33 10.404 -13.599 -2.187 1.00 0.00 C ATOM 489 O LYS A 33 9.211 -13.480 -1.908 1.00 0.00 O ATOM 490 CB LYS A 33 12.293 -13.861 -0.569 1.00 0.00 C ATOM 491 CG LYS A 33 13.473 -13.233 0.153 1.00 0.00 C ATOM 492 CD LYS A 33 14.538 -14.264 0.485 1.00 0.00 C ATOM 493 CE LYS A 33 14.158 -15.083 1.709 1.00 0.00 C ATOM 494 NZ LYS A 33 15.221 -16.058 2.076 1.00 0.00 N ATOM 0 H LYS A 33 10.552 -12.235 0.392 1.00 0.00 H new ATOM 0 HA LYS A 33 12.129 -12.341 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.643 -14.341 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.659 -14.645 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.906 -12.449 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.128 -12.757 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.682 -14.927 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.489 -13.762 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.972 -14.415 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.228 -15.616 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.924 -16.596 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.381 -16.712 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.102 -15.548 2.287 1.00 0.00 H new ATOM 508 N ASP A 34 10.840 -14.363 -3.182 1.00 0.00 N ATOM 509 CA ASP A 34 9.922 -15.123 -4.022 1.00 0.00 C ATOM 510 C ASP A 34 8.859 -15.816 -3.177 1.00 0.00 C ATOM 511 O ASP A 34 7.665 -15.715 -3.458 1.00 0.00 O ATOM 512 CB ASP A 34 10.690 -16.157 -4.848 1.00 0.00 C ATOM 513 CG ASP A 34 11.673 -16.951 -4.011 1.00 0.00 C ATOM 514 OD1 ASP A 34 12.736 -16.398 -3.660 1.00 0.00 O ATOM 515 OD2 ASP A 34 11.380 -18.127 -3.706 1.00 0.00 O ATOM 0 H ASP A 34 11.824 -14.473 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 34 9.425 -14.426 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.983 -16.840 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.226 -15.651 -5.651 1.00 0.00 H new ATOM 520 N ASP A 35 9.301 -16.521 -2.141 1.00 0.00 N ATOM 521 CA ASP A 35 8.387 -17.232 -1.254 1.00 0.00 C ATOM 522 C ASP A 35 7.275 -16.308 -0.766 1.00 0.00 C ATOM 523 O ASP A 35 6.101 -16.674 -0.783 1.00 0.00 O ATOM 524 CB ASP A 35 9.148 -17.809 -0.059 1.00 0.00 C ATOM 525 CG ASP A 35 8.515 -19.080 0.471 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.477 -20.081 -0.275 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.058 -19.075 1.633 1.00 0.00 O ATOM 0 H ASP A 35 10.286 -16.615 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 35 7.936 -18.049 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.178 -18.014 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.186 -17.066 0.737 1.00 0.00 H new ATOM 532 N GLU A 36 7.656 -15.111 -0.331 1.00 0.00 N ATOM 533 CA GLU A 36 6.690 -14.137 0.164 1.00 0.00 C ATOM 534 C GLU A 36 5.762 -13.674 -0.956 1.00 0.00 C ATOM 535 O GLU A 36 4.538 -13.729 -0.825 1.00 0.00 O ATOM 536 CB GLU A 36 7.413 -12.933 0.771 1.00 0.00 C ATOM 537 CG GLU A 36 8.219 -13.270 2.014 1.00 0.00 C ATOM 538 CD GLU A 36 8.473 -12.060 2.892 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.496 -11.507 3.437 1.00 0.00 O ATOM 540 OE2 GLU A 36 9.650 -11.667 3.033 1.00 0.00 O ATOM 0 H GLU A 36 8.625 -14.793 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 36 6.089 -14.619 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.079 -12.504 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.679 -12.167 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.689 -14.028 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.173 -13.705 1.717 1.00 0.00 H new ATOM 547 N PHE A 37 6.352 -13.219 -2.056 1.00 0.00 N ATOM 548 CA PHE A 37 5.579 -12.746 -3.198 1.00 0.00 C ATOM 549 C PHE A 37 4.453 -13.719 -3.534 1.00 0.00 C ATOM 550 O PHE A 37 3.364 -13.309 -3.935 1.00 0.00 O ATOM 551 CB PHE A 37 6.488 -12.561 -4.415 1.00 0.00 C ATOM 552 CG PHE A 37 7.092 -11.189 -4.509 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.411 -10.159 -5.137 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.342 -10.930 -3.970 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.965 -8.896 -5.226 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.901 -9.669 -4.055 1.00 0.00 C ATOM 557 CZ PHE A 37 8.211 -8.650 -4.683 1.00 0.00 C ATOM 0 H PHE A 37 7.363 -13.168 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 37 5.138 -11.785 -2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.288 -13.300 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.915 -12.760 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.436 -10.345 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.886 -11.723 -3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.424 -8.102 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.876 -9.480 -3.631 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.645 -7.663 -4.749 1.00 0.00 H new ATOM 567 N GLU A 38 4.724 -15.010 -3.366 1.00 0.00 N ATOM 568 CA GLU A 38 3.734 -16.041 -3.653 1.00 0.00 C ATOM 569 C GLU A 38 2.483 -15.846 -2.802 1.00 0.00 C ATOM 570 O GLU A 38 1.361 -15.948 -3.298 1.00 0.00 O ATOM 571 CB GLU A 38 4.324 -17.430 -3.400 1.00 0.00 C ATOM 572 CG GLU A 38 5.141 -17.965 -4.564 1.00 0.00 C ATOM 573 CD GLU A 38 4.275 -18.456 -5.708 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.237 -17.817 -5.981 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.635 -19.477 -6.329 1.00 0.00 O ATOM 0 H GLU A 38 5.620 -15.366 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 38 3.455 -15.958 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.955 -17.391 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.513 -18.126 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.806 -17.181 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.772 -18.782 -4.215 1.00 0.00 H new ATOM 582 N GLN A 39 2.685 -15.565 -1.519 1.00 0.00 N ATOM 583 CA GLN A 39 1.573 -15.356 -0.598 1.00 0.00 C ATOM 584 C GLN A 39 0.568 -14.364 -1.175 1.00 0.00 C ATOM 585 O GLN A 39 -0.637 -14.619 -1.183 1.00 0.00 O ATOM 586 CB GLN A 39 2.088 -14.853 0.751 1.00 0.00 C ATOM 587 CG GLN A 39 3.011 -15.835 1.455 1.00 0.00 C ATOM 588 CD GLN A 39 2.281 -17.062 1.962 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.762 -17.859 1.179 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.235 -17.221 3.280 1.00 0.00 N ATOM 0 H GLN A 39 3.608 -15.477 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 39 1.070 -16.312 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.619 -13.913 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.237 -14.639 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.799 -16.144 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.497 -15.334 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.679 -16.536 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.756 -18.028 3.680 1.00 0.00 H new ATOM 599 N LEU A 40 1.071 -13.233 -1.656 1.00 0.00 N ATOM 600 CA LEU A 40 0.217 -12.201 -2.234 1.00 0.00 C ATOM 601 C LEU A 40 -0.313 -12.634 -3.597 1.00 0.00 C ATOM 602 O LEU A 40 -1.486 -12.430 -3.911 1.00 0.00 O ATOM 603 CB LEU A 40 0.990 -10.888 -2.369 1.00 0.00 C ATOM 604 CG LEU A 40 1.461 -10.249 -1.062 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.745 -9.464 -1.284 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.376 -9.350 -0.487 1.00 0.00 C ATOM 0 H LEU A 40 2.066 -13.007 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.631 -12.049 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.862 -11.066 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.359 -10.171 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 40 1.665 -11.043 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.065 -9.016 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.523 -10.134 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.569 -8.678 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.728 -8.904 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.140 -8.561 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.519 -9.940 -0.290 1.00 0.00 H new ATOM 618 N SER A 41 0.558 -13.235 -4.402 1.00 0.00 N ATOM 619 CA SER A 41 0.177 -13.696 -5.732 1.00 0.00 C ATOM 620 C SER A 41 -0.971 -14.697 -5.652 1.00 0.00 C ATOM 621 O SER A 41 -1.795 -14.787 -6.561 1.00 0.00 O ATOM 622 CB SER A 41 1.377 -14.334 -6.436 1.00 0.00 C ATOM 623 OG SER A 41 1.439 -15.726 -6.178 1.00 0.00 O ATOM 0 H SER A 41 1.532 -13.414 -4.156 1.00 0.00 H new ATOM 0 HA SER A 41 -0.157 -12.833 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.306 -14.163 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.297 -13.857 -6.098 1.00 0.00 H new ATOM 0 HG SER A 41 1.402 -15.881 -5.211 1.00 0.00 H new ATOM 629 N ASN A 42 -1.018 -15.448 -4.556 1.00 0.00 N ATOM 630 CA ASN A 42 -2.065 -16.444 -4.357 1.00 0.00 C ATOM 631 C ASN A 42 -3.330 -15.799 -3.800 1.00 0.00 C ATOM 632 O ASN A 42 -4.444 -16.229 -4.102 1.00 0.00 O ATOM 633 CB ASN A 42 -1.579 -17.542 -3.409 1.00 0.00 C ATOM 634 CG ASN A 42 -0.773 -18.609 -4.124 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.291 -19.324 -4.981 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.504 -18.720 -3.774 1.00 0.00 N ATOM 0 H ASN A 42 -0.344 -15.386 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.300 -16.887 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.969 -17.096 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.438 -18.004 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.096 -19.420 -4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.892 -18.106 -3.058 1.00 0.00 H new ATOM 643 N LEU A 43 -3.151 -14.765 -2.985 1.00 0.00 N ATOM 644 CA LEU A 43 -4.278 -14.059 -2.385 1.00 0.00 C ATOM 645 C LEU A 43 -5.021 -13.233 -3.430 1.00 0.00 C ATOM 646 O LEU A 43 -6.217 -13.425 -3.653 1.00 0.00 O ATOM 647 CB LEU A 43 -3.793 -13.153 -1.252 1.00 0.00 C ATOM 648 CG LEU A 43 -4.761 -12.055 -0.810 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.076 -12.659 -0.343 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.140 -11.208 0.291 1.00 0.00 C ATOM 0 H LEU A 43 -2.236 -14.397 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.966 -14.801 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.563 -13.777 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.860 -12.683 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.964 -11.411 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.752 -11.863 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.529 -13.221 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.891 -13.327 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.843 -10.432 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.907 -11.840 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.225 -10.745 -0.078 1.00 0.00 H new ATOM 662 N LEU A 44 -4.305 -12.315 -4.069 1.00 0.00 N ATOM 663 CA LEU A 44 -4.896 -11.460 -5.093 1.00 0.00 C ATOM 664 C LEU A 44 -5.075 -12.223 -6.402 1.00 0.00 C ATOM 665 O LEU A 44 -5.714 -11.735 -7.333 1.00 0.00 O ATOM 666 CB LEU A 44 -4.020 -10.227 -5.324 1.00 0.00 C ATOM 667 CG LEU A 44 -3.636 -9.434 -4.074 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.527 -8.442 -4.392 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.850 -8.715 -3.505 1.00 0.00 C ATOM 0 H LEU A 44 -3.314 -12.143 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.877 -11.140 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.105 -10.544 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.542 -9.558 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.267 -10.132 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.266 -7.886 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.650 -8.980 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.869 -7.748 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.558 -8.156 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.249 -8.028 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.614 -9.446 -3.240 1.00 0.00 H new ATOM 681 N ASN A 45 -4.508 -13.423 -6.464 1.00 0.00 N ATOM 682 CA ASN A 45 -4.607 -14.254 -7.658 1.00 0.00 C ATOM 683 C ASN A 45 -3.941 -13.575 -8.851 1.00 0.00 C ATOM 684 O ASN A 45 -4.380 -13.727 -9.991 1.00 0.00 O ATOM 685 CB ASN A 45 -6.073 -14.550 -7.979 1.00 0.00 C ATOM 686 CG ASN A 45 -6.228 -15.623 -9.040 1.00 0.00 C ATOM 687 OD1 ASN A 45 -5.520 -16.630 -9.028 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.157 -15.411 -9.965 1.00 0.00 N ATOM 0 H ASN A 45 -3.975 -13.842 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.088 -15.192 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.585 -14.866 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.560 -13.635 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.306 -16.098 -10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.721 -14.562 -9.936 1.00 0.00 H new ATOM 695 N LEU A 46 -2.879 -12.824 -8.579 1.00 0.00 N ATOM 696 CA LEU A 46 -2.150 -12.121 -9.630 1.00 0.00 C ATOM 697 C LEU A 46 -0.742 -12.685 -9.788 1.00 0.00 C ATOM 698 O LEU A 46 -0.158 -13.233 -8.852 1.00 0.00 O ATOM 699 CB LEU A 46 -2.081 -10.626 -9.315 1.00 0.00 C ATOM 700 CG LEU A 46 -3.419 -9.889 -9.255 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.233 -8.489 -8.692 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.059 -9.831 -10.635 1.00 0.00 C ATOM 0 H LEU A 46 -2.504 -12.686 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.685 -12.265 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.577 -10.500 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.458 -10.145 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.085 -10.439 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.196 -7.980 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.820 -8.554 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.549 -7.928 -9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.010 -9.303 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.396 -9.305 -11.322 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.229 -10.844 -11.000 1.00 0.00 H new ATOM 714 N PRO A 47 -0.181 -12.548 -10.998 1.00 0.00 N ATOM 715 CA PRO A 47 1.166 -13.035 -11.306 1.00 0.00 C ATOM 716 C PRO A 47 2.251 -12.225 -10.604 1.00 0.00 C ATOM 717 O PRO A 47 2.265 -10.995 -10.673 1.00 0.00 O ATOM 718 CB PRO A 47 1.268 -12.862 -12.824 1.00 0.00 C ATOM 719 CG PRO A 47 0.307 -11.769 -13.145 1.00 0.00 C ATOM 720 CD PRO A 47 -0.820 -11.905 -12.159 1.00 0.00 C ATOM 0 HA PRO A 47 1.315 -14.061 -10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.282 -12.599 -13.125 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.009 -13.783 -13.346 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.784 -10.793 -13.060 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.057 -11.858 -14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.245 -10.936 -11.898 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.632 -12.512 -12.558 1.00 0.00 H new ATOM 728 N THR A 48 3.159 -12.921 -9.928 1.00 0.00 N ATOM 729 CA THR A 48 4.247 -12.266 -9.213 1.00 0.00 C ATOM 730 C THR A 48 4.880 -11.169 -10.060 1.00 0.00 C ATOM 731 O THR A 48 5.209 -10.095 -9.556 1.00 0.00 O ATOM 732 CB THR A 48 5.336 -13.275 -8.802 1.00 0.00 C ATOM 733 OG1 THR A 48 5.516 -14.250 -9.835 1.00 0.00 O ATOM 734 CG2 THR A 48 4.967 -13.970 -7.500 1.00 0.00 C ATOM 0 H THR A 48 3.163 -13.939 -9.861 1.00 0.00 H new ATOM 0 HA THR A 48 3.814 -11.824 -8.316 1.00 0.00 H new ATOM 0 HB THR A 48 6.267 -12.729 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.211 -14.887 -9.567 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.751 -14.678 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.860 -13.228 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.025 -14.503 -7.627 1.00 0.00 H new ATOM 742 N ARG A 49 5.047 -11.445 -11.349 1.00 0.00 N ATOM 743 CA ARG A 49 5.642 -10.480 -12.266 1.00 0.00 C ATOM 744 C ARG A 49 4.932 -9.132 -12.173 1.00 0.00 C ATOM 745 O ARG A 49 5.561 -8.079 -12.277 1.00 0.00 O ATOM 746 CB ARG A 49 5.579 -11.003 -13.702 1.00 0.00 C ATOM 747 CG ARG A 49 4.234 -10.779 -14.374 1.00 0.00 C ATOM 748 CD ARG A 49 4.194 -9.448 -15.109 1.00 0.00 C ATOM 749 NE ARG A 49 5.053 -9.450 -16.290 1.00 0.00 N ATOM 750 CZ ARG A 49 5.466 -8.345 -16.900 1.00 0.00 C ATOM 751 NH1 ARG A 49 5.102 -7.155 -16.441 1.00 0.00 N ATOM 752 NH2 ARG A 49 6.247 -8.428 -17.970 1.00 0.00 N ATOM 0 H ARG A 49 4.779 -12.329 -11.782 1.00 0.00 H new ATOM 0 HA ARG A 49 6.685 -10.342 -11.982 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.356 -10.516 -14.291 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.802 -12.070 -13.701 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.037 -11.590 -15.076 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.443 -10.806 -13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.169 -9.229 -15.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.507 -8.651 -14.434 1.00 0.00 H new ATOM 0 HE ARG A 49 5.352 -10.349 -16.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.504 -7.087 -15.618 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.421 -6.308 -16.911 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.531 -9.341 -18.325 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.563 -7.578 -18.438 1.00 0.00 H new ATOM 766 N VAL A 50 3.618 -9.174 -11.976 1.00 0.00 N ATOM 767 CA VAL A 50 2.823 -7.957 -11.868 1.00 0.00 C ATOM 768 C VAL A 50 3.020 -7.290 -10.511 1.00 0.00 C ATOM 769 O VAL A 50 3.088 -6.064 -10.415 1.00 0.00 O ATOM 770 CB VAL A 50 1.324 -8.246 -12.072 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.480 -7.106 -11.523 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.023 -8.482 -13.544 1.00 0.00 C ATOM 0 H VAL A 50 3.082 -10.037 -11.888 1.00 0.00 H new ATOM 0 HA VAL A 50 3.166 -7.284 -12.654 1.00 0.00 H new ATOM 0 HB VAL A 50 1.069 -9.152 -11.522 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.576 -7.328 -11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.675 -6.989 -10.457 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.735 -6.182 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.041 -8.685 -13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.294 -7.595 -14.117 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.600 -9.335 -13.901 1.00 0.00 H new ATOM 782 N ILE A 51 3.113 -8.104 -9.465 1.00 0.00 N ATOM 783 CA ILE A 51 3.304 -7.592 -8.114 1.00 0.00 C ATOM 784 C ILE A 51 4.714 -7.041 -7.929 1.00 0.00 C ATOM 785 O ILE A 51 4.935 -6.124 -7.139 1.00 0.00 O ATOM 786 CB ILE A 51 3.049 -8.684 -7.058 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.747 -9.427 -7.365 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.001 -8.072 -5.665 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.527 -10.644 -6.493 1.00 0.00 C ATOM 0 H ILE A 51 3.059 -9.121 -9.527 1.00 0.00 H new ATOM 0 HA ILE A 51 2.581 -6.788 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 51 3.870 -9.400 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.908 -8.742 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.751 -9.735 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.820 -8.856 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.951 -7.584 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.197 -7.338 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.586 -11.121 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.346 -11.348 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.490 -10.340 -5.447 1.00 0.00 H new ATOM 801 N VAL A 52 5.665 -7.606 -8.667 1.00 0.00 N ATOM 802 CA VAL A 52 7.054 -7.170 -8.587 1.00 0.00 C ATOM 803 C VAL A 52 7.225 -5.770 -9.167 1.00 0.00 C ATOM 804 O VAL A 52 7.772 -4.880 -8.517 1.00 0.00 O ATOM 805 CB VAL A 52 7.991 -8.140 -9.331 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.400 -7.572 -9.402 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.990 -9.504 -8.657 1.00 0.00 C ATOM 0 H VAL A 52 5.499 -8.366 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 52 7.321 -7.158 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 52 7.623 -8.264 -10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.048 -8.271 -9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.382 -6.620 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.781 -7.417 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.657 -10.177 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.332 -9.401 -7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.980 -9.913 -8.664 1.00 0.00 H new ATOM 817 N VAL A 53 6.751 -5.583 -10.395 1.00 0.00 N ATOM 818 CA VAL A 53 6.850 -4.291 -11.063 1.00 0.00 C ATOM 819 C VAL A 53 6.212 -3.189 -10.225 1.00 0.00 C ATOM 820 O VAL A 53 6.727 -2.073 -10.153 1.00 0.00 O ATOM 821 CB VAL A 53 6.176 -4.323 -12.448 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.326 -2.980 -13.146 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.759 -5.442 -13.298 1.00 0.00 C ATOM 0 H VAL A 53 6.295 -6.310 -10.947 1.00 0.00 H new ATOM 0 HA VAL A 53 7.912 -4.079 -11.188 1.00 0.00 H new ATOM 0 HB VAL A 53 5.112 -4.518 -12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.844 -3.022 -14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.858 -2.202 -12.543 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.384 -2.752 -13.273 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.272 -5.450 -14.273 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.829 -5.280 -13.429 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.595 -6.399 -12.802 1.00 0.00 H new ATOM 833 N TRP A 54 5.088 -3.509 -9.594 1.00 0.00 N ATOM 834 CA TRP A 54 4.379 -2.545 -8.760 1.00 0.00 C ATOM 835 C TRP A 54 5.183 -2.214 -7.508 1.00 0.00 C ATOM 836 O TRP A 54 5.311 -1.049 -7.130 1.00 0.00 O ATOM 837 CB TRP A 54 3.005 -3.091 -8.369 1.00 0.00 C ATOM 838 CG TRP A 54 2.178 -2.116 -7.588 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.141 -1.361 -8.056 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.321 -1.788 -6.201 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.630 -0.584 -7.044 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.337 -0.828 -5.896 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.184 -2.214 -5.187 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.194 -0.289 -4.620 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.041 -1.677 -3.922 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.052 -0.724 -3.647 1.00 0.00 C ATOM 0 H TRP A 54 4.648 -4.428 -9.644 1.00 0.00 H new ATOM 0 HA TRP A 54 4.247 -1.630 -9.337 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.464 -3.374 -9.272 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.137 -3.998 -7.780 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.776 -1.373 -9.072 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.149 0.068 -7.133 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.949 -2.950 -5.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.433 0.446 -4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.703 -1.998 -3.131 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.965 -0.325 -2.647 1.00 0.00 H new ATOM 857 N PHE A 55 5.724 -3.245 -6.867 1.00 0.00 N ATOM 858 CA PHE A 55 6.516 -3.063 -5.656 1.00 0.00 C ATOM 859 C PHE A 55 7.803 -2.300 -5.957 1.00 0.00 C ATOM 860 O PHE A 55 8.218 -1.434 -5.188 1.00 0.00 O ATOM 861 CB PHE A 55 6.848 -4.418 -5.029 1.00 0.00 C ATOM 862 CG PHE A 55 5.830 -4.880 -4.025 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.515 -5.097 -4.402 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.190 -5.096 -2.705 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.576 -5.522 -3.481 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.255 -5.522 -1.779 1.00 0.00 C ATOM 867 CZ PHE A 55 3.947 -5.734 -2.168 1.00 0.00 C ATOM 0 H PHE A 55 5.628 -4.215 -7.166 1.00 0.00 H new ATOM 0 HA PHE A 55 5.925 -2.479 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.932 -5.164 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.822 -4.356 -4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.220 -4.932 -5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.211 -4.930 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.554 -5.688 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.548 -5.689 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.215 -6.065 -1.446 1.00 0.00 H new ATOM 877 N GLN A 56 8.430 -2.630 -7.082 1.00 0.00 N ATOM 878 CA GLN A 56 9.670 -1.978 -7.484 1.00 0.00 C ATOM 879 C GLN A 56 9.487 -0.466 -7.571 1.00 0.00 C ATOM 880 O GLN A 56 10.230 0.295 -6.954 1.00 0.00 O ATOM 881 CB GLN A 56 10.145 -2.524 -8.832 1.00 0.00 C ATOM 882 CG GLN A 56 10.835 -3.875 -8.732 1.00 0.00 C ATOM 883 CD GLN A 56 11.877 -4.079 -9.815 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.830 -3.309 -9.929 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.699 -5.122 -10.617 1.00 0.00 N ATOM 0 H GLN A 56 8.099 -3.345 -7.730 1.00 0.00 H new ATOM 0 HA GLN A 56 10.425 -2.192 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.289 -2.611 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.831 -1.807 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.309 -3.965 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.088 -4.666 -8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.894 -5.735 -10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.367 -5.311 -11.364 1.00 0.00 H new ATOM 894 N ASN A 57 8.492 -0.039 -8.342 1.00 0.00 N ATOM 895 CA ASN A 57 8.212 1.382 -8.510 1.00 0.00 C ATOM 896 C ASN A 57 7.852 2.028 -7.175 1.00 0.00 C ATOM 897 O ASN A 57 8.410 3.059 -6.803 1.00 0.00 O ATOM 898 CB ASN A 57 7.071 1.583 -9.510 1.00 0.00 C ATOM 899 CG ASN A 57 7.534 1.453 -10.949 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.977 2.425 -11.560 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.432 0.247 -11.495 1.00 0.00 N ATOM 0 H ASN A 57 7.867 -0.656 -8.860 1.00 0.00 H new ATOM 0 HA ASN A 57 9.113 1.861 -8.894 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.288 0.850 -9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.630 2.568 -9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.727 0.097 -12.460 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.058 -0.530 -10.950 1.00 0.00 H new ATOM 908 N ALA A 58 6.917 1.412 -6.460 1.00 0.00 N ATOM 909 CA ALA A 58 6.484 1.925 -5.165 1.00 0.00 C ATOM 910 C ALA A 58 7.677 2.364 -4.323 1.00 0.00 C ATOM 911 O ALA A 58 7.564 3.267 -3.494 1.00 0.00 O ATOM 912 CB ALA A 58 5.672 0.872 -4.425 1.00 0.00 C ATOM 0 H ALA A 58 6.445 0.557 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 58 5.854 2.797 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.355 1.268 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.794 0.609 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.284 -0.016 -4.269 1.00 0.00 H new ATOM 918 N ARG A 59 8.819 1.719 -4.540 1.00 0.00 N ATOM 919 CA ARG A 59 10.032 2.043 -3.799 1.00 0.00 C ATOM 920 C ARG A 59 10.630 3.361 -4.283 1.00 0.00 C ATOM 921 O ARG A 59 11.016 4.210 -3.481 1.00 0.00 O ATOM 922 CB ARG A 59 11.060 0.920 -3.946 1.00 0.00 C ATOM 923 CG ARG A 59 10.645 -0.378 -3.271 1.00 0.00 C ATOM 924 CD ARG A 59 11.788 -1.380 -3.240 1.00 0.00 C ATOM 925 NE ARG A 59 12.044 -1.959 -4.557 1.00 0.00 N ATOM 926 CZ ARG A 59 12.848 -1.407 -5.459 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.471 -0.269 -5.187 1.00 0.00 N ATOM 928 NH2 ARG A 59 13.030 -1.994 -6.635 1.00 0.00 N ATOM 0 H ARG A 59 8.929 0.969 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 59 9.767 2.149 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.229 0.730 -5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.010 1.251 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.314 -0.170 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.796 -0.809 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.691 -0.889 -2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.553 -2.176 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 59 11.580 -2.835 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.333 0.184 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.088 0.153 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.552 -2.870 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.648 -1.569 -7.327 1.00 0.00 H new