USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=7 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= -0.122 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.07! C(o=-5.1!,f=-5.4!) USER MOD Single : A 23 GLN : amide:sc= -2.73 K(o=-2.7,f=-4.6!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.171 F(o=-1.2,f=-0.17) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -1.74! (180deg=-2.79!) USER MOD Single : A 39 GLN : amide:sc= -0.899! X(o=-0.9!,f=-0.73) USER MOD Single : A 41 SER OG : rot -53:sc= 0.747 USER MOD Single : A 42 ASN : amide:sc= 1.2 K(o=1.2,f=-0.015) USER MOD Single : A 45 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.035) USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000604 USER MOD Single : A 56 GLN : amide:sc=-0.00957 X(o=-0.0096,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.439 K(o=0.44,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.255 -2.290 -10.865 1.00 0.00 N ATOM 175 CA PHE A 14 -5.711 -2.979 -9.663 1.00 0.00 C ATOM 176 C PHE A 14 -6.855 -2.218 -9.000 1.00 0.00 C ATOM 177 O PHE A 14 -7.054 -1.029 -9.252 1.00 0.00 O ATOM 178 CB PHE A 14 -4.554 -3.146 -8.676 1.00 0.00 C ATOM 179 CG PHE A 14 -3.256 -3.524 -9.332 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.534 -2.591 -10.058 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.759 -4.813 -9.222 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.339 -2.936 -10.662 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.565 -5.163 -9.823 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.855 -4.224 -10.545 1.00 0.00 C ATOM 0 HA PHE A 14 -6.075 -3.964 -9.955 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.417 -2.214 -8.128 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.818 -3.910 -7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.909 -1.583 -10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.311 -5.552 -8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.785 -2.199 -11.225 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.187 -6.170 -9.728 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.077 -4.497 -11.017 1.00 0.00 H new ATOM 194 N THR A 15 -7.605 -2.912 -8.149 1.00 0.00 N ATOM 195 CA THR A 15 -8.730 -2.303 -7.450 1.00 0.00 C ATOM 196 C THR A 15 -8.409 -2.087 -5.976 1.00 0.00 C ATOM 197 O THR A 15 -7.486 -2.697 -5.436 1.00 0.00 O ATOM 198 CB THR A 15 -9.998 -3.169 -7.567 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.090 -2.531 -6.895 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.767 -4.550 -6.971 1.00 0.00 C ATOM 0 H THR A 15 -7.453 -3.896 -7.927 1.00 0.00 H new ATOM 0 HA THR A 15 -8.913 -1.339 -7.924 1.00 0.00 H new ATOM 0 HB THR A 15 -10.238 -3.282 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.893 -3.087 -6.975 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.676 -5.144 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.954 -5.044 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.505 -4.452 -5.918 1.00 0.00 H new ATOM 208 N ASP A 16 -9.177 -1.217 -5.330 1.00 0.00 N ATOM 209 CA ASP A 16 -8.975 -0.922 -3.916 1.00 0.00 C ATOM 210 C ASP A 16 -8.647 -2.192 -3.137 1.00 0.00 C ATOM 211 O ASP A 16 -7.756 -2.198 -2.287 1.00 0.00 O ATOM 212 CB ASP A 16 -10.221 -0.257 -3.329 1.00 0.00 C ATOM 213 CG ASP A 16 -10.698 0.917 -4.162 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.165 2.031 -3.978 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.603 0.721 -4.999 1.00 0.00 O ATOM 0 H ASP A 16 -9.945 -0.704 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.132 -0.237 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.021 -0.994 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.005 0.084 -2.317 1.00 0.00 H new ATOM 220 N TYR A 17 -9.372 -3.265 -3.432 1.00 0.00 N ATOM 221 CA TYR A 17 -9.161 -4.540 -2.757 1.00 0.00 C ATOM 222 C TYR A 17 -7.716 -5.004 -2.912 1.00 0.00 C ATOM 223 O TYR A 17 -7.040 -5.302 -1.927 1.00 0.00 O ATOM 224 CB TYR A 17 -10.111 -5.600 -3.315 1.00 0.00 C ATOM 225 CG TYR A 17 -9.685 -7.018 -3.008 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.279 -7.380 -1.729 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.688 -7.995 -3.995 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.887 -8.673 -1.444 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.300 -9.291 -3.719 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.900 -9.626 -2.441 1.00 0.00 C ATOM 231 OH TYR A 17 -8.512 -10.916 -2.162 1.00 0.00 O ATOM 0 H TYR A 17 -10.111 -3.277 -4.134 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.368 -4.400 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.108 -5.433 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.184 -5.478 -4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.270 -6.637 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.999 -7.736 -4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.572 -8.937 -0.445 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.309 -10.038 -4.499 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.581 -11.461 -2.974 1.00 0.00 H new ATOM 241 N GLN A 18 -7.250 -5.063 -4.155 1.00 0.00 N ATOM 242 CA GLN A 18 -5.885 -5.492 -4.439 1.00 0.00 C ATOM 243 C GLN A 18 -4.875 -4.481 -3.905 1.00 0.00 C ATOM 244 O GLN A 18 -3.953 -4.839 -3.170 1.00 0.00 O ATOM 245 CB GLN A 18 -5.690 -5.679 -5.944 1.00 0.00 C ATOM 246 CG GLN A 18 -6.668 -6.662 -6.567 1.00 0.00 C ATOM 247 CD GLN A 18 -6.085 -7.384 -7.766 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.560 -6.759 -8.687 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.175 -8.709 -7.760 1.00 0.00 N ATOM 0 H GLN A 18 -7.797 -4.820 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.718 -6.445 -3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.794 -4.713 -6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.673 -6.024 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.968 -7.394 -5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.569 -6.129 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.619 -9.186 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.800 -9.249 -8.540 1.00 0.00 H new ATOM 258 N LEU A 19 -5.054 -3.219 -4.278 1.00 0.00 N ATOM 259 CA LEU A 19 -4.158 -2.156 -3.837 1.00 0.00 C ATOM 260 C LEU A 19 -4.048 -2.133 -2.316 1.00 0.00 C ATOM 261 O LEU A 19 -3.009 -1.771 -1.764 1.00 0.00 O ATOM 262 CB LEU A 19 -4.653 -0.801 -4.345 1.00 0.00 C ATOM 263 CG LEU A 19 -4.494 -0.547 -5.845 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.147 0.769 -6.236 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.022 -0.550 -6.232 1.00 0.00 C ATOM 0 H LEU A 19 -5.812 -2.907 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.169 -2.353 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.708 -0.704 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.121 -0.017 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.994 -1.351 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.024 0.932 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.209 0.734 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.677 1.585 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.927 -0.368 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.500 0.233 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.584 -1.518 -5.988 1.00 0.00 H new ATOM 277 N ARG A 20 -5.126 -2.523 -1.644 1.00 0.00 N ATOM 278 CA ARG A 20 -5.151 -2.548 -0.187 1.00 0.00 C ATOM 279 C ARG A 20 -4.147 -3.560 0.357 1.00 0.00 C ATOM 280 O ARG A 20 -3.427 -3.283 1.316 1.00 0.00 O ATOM 281 CB ARG A 20 -6.556 -2.887 0.315 1.00 0.00 C ATOM 282 CG ARG A 20 -6.704 -2.786 1.825 1.00 0.00 C ATOM 283 CD ARG A 20 -6.418 -1.376 2.319 1.00 0.00 C ATOM 284 NE ARG A 20 -6.729 -1.220 3.737 1.00 0.00 N ATOM 285 CZ ARG A 20 -6.208 -0.268 4.503 1.00 0.00 C ATOM 286 NH1 ARG A 20 -5.354 0.607 3.990 1.00 0.00 N ATOM 287 NH2 ARG A 20 -6.540 -0.191 5.786 1.00 0.00 N ATOM 0 H ARG A 20 -5.994 -2.826 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.873 -1.557 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.273 -2.216 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.811 -3.899 0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.715 -3.076 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.022 -3.487 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.368 -1.139 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.003 -0.663 1.739 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.382 -1.878 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.096 0.550 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.955 1.337 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.196 -0.863 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.139 0.540 6.373 1.00 0.00 H new ATOM 301 N VAL A 21 -4.105 -4.736 -0.262 1.00 0.00 N ATOM 302 CA VAL A 21 -3.190 -5.790 0.159 1.00 0.00 C ATOM 303 C VAL A 21 -1.763 -5.489 -0.288 1.00 0.00 C ATOM 304 O VAL A 21 -0.813 -5.652 0.479 1.00 0.00 O ATOM 305 CB VAL A 21 -3.614 -7.160 -0.404 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.666 -8.249 0.074 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.048 -7.477 -0.007 1.00 0.00 C ATOM 0 H VAL A 21 -4.694 -4.982 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.228 -5.826 1.248 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.563 -7.119 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.981 -9.210 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.654 -8.025 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.683 -8.294 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.332 -8.448 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.128 -7.500 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.713 -6.710 -0.403 1.00 0.00 H new ATOM 317 N LEU A 22 -1.620 -5.048 -1.533 1.00 0.00 N ATOM 318 CA LEU A 22 -0.308 -4.723 -2.083 1.00 0.00 C ATOM 319 C LEU A 22 0.334 -3.571 -1.316 1.00 0.00 C ATOM 320 O LEU A 22 1.508 -3.632 -0.954 1.00 0.00 O ATOM 321 CB LEU A 22 -0.430 -4.361 -3.564 1.00 0.00 C ATOM 322 CG LEU A 22 -0.949 -5.466 -4.485 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.299 -4.900 -5.852 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.081 -6.579 -4.614 1.00 0.00 C ATOM 0 H LEU A 22 -2.396 -4.907 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 22 0.329 -5.601 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.093 -3.500 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.550 -4.047 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.854 -5.885 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.667 -5.701 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.071 -4.138 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.411 -4.455 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.305 -7.357 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.003 -6.175 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.283 -7.004 -3.631 1.00 0.00 H new ATOM 336 N GLN A 23 -0.447 -2.523 -1.071 1.00 0.00 N ATOM 337 CA GLN A 23 0.046 -1.358 -0.346 1.00 0.00 C ATOM 338 C GLN A 23 0.309 -1.698 1.117 1.00 0.00 C ATOM 339 O GLN A 23 1.270 -1.212 1.714 1.00 0.00 O ATOM 340 CB GLN A 23 -0.960 -0.209 -0.442 1.00 0.00 C ATOM 341 CG GLN A 23 -0.329 1.166 -0.292 1.00 0.00 C ATOM 342 CD GLN A 23 0.898 1.342 -1.165 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.790 1.548 -2.374 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.075 1.264 -0.554 1.00 0.00 N ATOM 0 H GLN A 23 -1.422 -2.457 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 23 0.986 -1.048 -0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.470 -0.263 -1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.720 -0.337 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.064 1.929 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.054 1.324 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.118 1.092 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.936 1.376 -1.089 1.00 0.00 H new ATOM 353 N ASP A 24 -0.550 -2.535 1.688 1.00 0.00 N ATOM 354 CA ASP A 24 -0.409 -2.941 3.082 1.00 0.00 C ATOM 355 C ASP A 24 0.873 -3.742 3.288 1.00 0.00 C ATOM 356 O ASP A 24 1.565 -3.577 4.293 1.00 0.00 O ATOM 357 CB ASP A 24 -1.619 -3.770 3.518 1.00 0.00 C ATOM 358 CG ASP A 24 -1.530 -4.205 4.968 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.574 -3.328 5.855 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.416 -5.424 5.215 1.00 0.00 O ATOM 0 H ASP A 24 -1.351 -2.945 1.208 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.355 -2.040 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.528 -3.186 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.701 -4.651 2.882 1.00 0.00 H new ATOM 365 N PHE A 25 1.183 -4.610 2.331 1.00 0.00 N ATOM 366 CA PHE A 25 2.380 -5.438 2.408 1.00 0.00 C ATOM 367 C PHE A 25 3.632 -4.611 2.130 1.00 0.00 C ATOM 368 O PHE A 25 4.720 -4.930 2.610 1.00 0.00 O ATOM 369 CB PHE A 25 2.289 -6.598 1.414 1.00 0.00 C ATOM 370 CG PHE A 25 3.345 -7.646 1.618 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.675 -7.372 1.341 1.00 0.00 C ATOM 372 CD2 PHE A 25 3.008 -8.906 2.087 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.649 -8.335 1.528 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.978 -9.872 2.276 1.00 0.00 C ATOM 375 CZ PHE A 25 5.300 -9.587 1.995 1.00 0.00 C ATOM 0 H PHE A 25 0.621 -4.758 1.493 1.00 0.00 H new ATOM 0 HA PHE A 25 2.449 -5.840 3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.306 -7.062 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.370 -6.205 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.954 -6.395 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.976 -9.135 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.682 -8.108 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.702 -10.850 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.059 -10.341 2.140 1.00 0.00 H new ATOM 385 N PHE A 26 3.470 -3.548 1.350 1.00 0.00 N ATOM 386 CA PHE A 26 4.586 -2.675 1.005 1.00 0.00 C ATOM 387 C PHE A 26 4.968 -1.787 2.186 1.00 0.00 C ATOM 388 O PHE A 26 6.145 -1.654 2.522 1.00 0.00 O ATOM 389 CB PHE A 26 4.229 -1.808 -0.204 1.00 0.00 C ATOM 390 CG PHE A 26 5.283 -0.796 -0.548 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.352 0.410 0.130 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.206 -1.050 -1.550 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.321 1.344 -0.185 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.178 -0.120 -1.870 1.00 0.00 C ATOM 395 CZ PHE A 26 7.236 1.078 -1.185 1.00 0.00 C ATOM 0 H PHE A 26 2.576 -3.270 0.945 1.00 0.00 H new ATOM 0 HA PHE A 26 5.441 -3.303 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.061 -2.453 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.291 -1.290 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.640 0.623 0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.166 -1.986 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.363 2.281 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.890 -0.330 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.995 1.805 -1.431 1.00 0.00 H new ATOM 405 N ASP A 27 3.964 -1.183 2.812 1.00 0.00 N ATOM 406 CA ASP A 27 4.193 -0.308 3.956 1.00 0.00 C ATOM 407 C ASP A 27 4.977 -1.032 5.046 1.00 0.00 C ATOM 408 O ASP A 27 5.710 -0.410 5.815 1.00 0.00 O ATOM 409 CB ASP A 27 2.861 0.194 4.517 1.00 0.00 C ATOM 410 CG ASP A 27 3.023 1.433 5.374 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.397 1.291 6.557 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.776 2.545 4.863 1.00 0.00 O ATOM 0 H ASP A 27 2.984 -1.283 2.547 1.00 0.00 H new ATOM 0 HA ASP A 27 4.780 0.545 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.182 0.413 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.399 -0.596 5.109 1.00 0.00 H new ATOM 417 N ALA A 28 4.817 -2.350 5.106 1.00 0.00 N ATOM 418 CA ALA A 28 5.510 -3.159 6.101 1.00 0.00 C ATOM 419 C ALA A 28 6.779 -3.775 5.521 1.00 0.00 C ATOM 420 O ALA A 28 7.812 -3.833 6.186 1.00 0.00 O ATOM 421 CB ALA A 28 4.588 -4.247 6.632 1.00 0.00 C ATOM 0 H ALA A 28 4.214 -2.880 4.477 1.00 0.00 H new ATOM 0 HA ALA A 28 5.798 -2.507 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.119 -4.843 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.713 -3.789 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.271 -4.889 5.810 1.00 0.00 H new ATOM 427 N ASN A 29 6.692 -4.233 4.276 1.00 0.00 N ATOM 428 CA ASN A 29 7.834 -4.846 3.607 1.00 0.00 C ATOM 429 C ASN A 29 7.799 -4.567 2.107 1.00 0.00 C ATOM 430 O ASN A 29 6.812 -4.861 1.434 1.00 0.00 O ATOM 431 CB ASN A 29 7.848 -6.355 3.856 1.00 0.00 C ATOM 432 CG ASN A 29 9.175 -6.990 3.486 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.120 -8.056 2.696 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.236 -6.527 3.905 1.00 0.00 N flip ATOM 0 H ASN A 29 5.844 -4.191 3.711 1.00 0.00 H new ATOM 0 HA ASN A 29 8.743 -4.408 4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.636 -6.549 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.051 -6.823 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.230 -5.706 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.121 -6.965 3.647 1.00 0.00 H new ATOM 441 N ALA A 30 8.884 -4.000 1.591 1.00 0.00 N ATOM 442 CA ALA A 30 8.979 -3.684 0.171 1.00 0.00 C ATOM 443 C ALA A 30 10.152 -4.412 -0.476 1.00 0.00 C ATOM 444 O ALA A 30 10.521 -4.126 -1.616 1.00 0.00 O ATOM 445 CB ALA A 30 9.113 -2.181 -0.028 1.00 0.00 C ATOM 0 H ALA A 30 9.710 -3.750 2.135 1.00 0.00 H new ATOM 0 HA ALA A 30 8.063 -4.023 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.183 -1.960 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.240 -1.679 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.012 -1.826 0.476 1.00 0.00 H new ATOM 451 N TYR A 31 10.735 -5.353 0.257 1.00 0.00 N ATOM 452 CA TYR A 31 11.869 -6.120 -0.244 1.00 0.00 C ATOM 453 C TYR A 31 11.680 -7.610 0.022 1.00 0.00 C ATOM 454 O TYR A 31 12.607 -8.320 0.412 1.00 0.00 O ATOM 455 CB TYR A 31 13.167 -5.636 0.405 1.00 0.00 C ATOM 456 CG TYR A 31 13.276 -4.130 0.489 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.589 -3.417 1.464 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.067 -3.420 -0.405 1.00 0.00 C ATOM 459 CE1 TYR A 31 12.686 -2.042 1.545 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.171 -2.044 -0.332 1.00 0.00 C ATOM 461 CZ TYR A 31 13.478 -1.360 0.645 1.00 0.00 C ATOM 462 OH TYR A 31 13.578 0.011 0.722 1.00 0.00 O ATOM 0 H TYR A 31 10.441 -5.603 1.201 1.00 0.00 H new ATOM 0 HA TYR A 31 11.930 -5.966 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.239 -6.054 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.014 -6.022 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.968 -3.948 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.611 -3.953 -1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.145 -1.504 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.791 -1.508 -1.035 1.00 0.00 H new ATOM 0 HH TYR A 31 14.176 0.336 0.016 1.00 0.00 H new ATOM 472 N PRO A 32 10.449 -8.097 -0.194 1.00 0.00 N ATOM 473 CA PRO A 32 10.107 -9.507 0.015 1.00 0.00 C ATOM 474 C PRO A 32 10.756 -10.420 -1.020 1.00 0.00 C ATOM 475 O PRO A 32 11.131 -9.977 -2.106 1.00 0.00 O ATOM 476 CB PRO A 32 8.584 -9.529 -0.134 1.00 0.00 C ATOM 477 CG PRO A 32 8.271 -8.355 -0.996 1.00 0.00 C ATOM 478 CD PRO A 32 9.296 -7.308 -0.659 1.00 0.00 C ATOM 0 HA PRO A 32 10.460 -9.873 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.244 -10.458 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.090 -9.452 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.319 -8.622 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.262 -7.989 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.549 -6.699 -1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.937 -6.628 0.113 1.00 0.00 H new ATOM 486 N LYS A 33 10.885 -11.697 -0.677 1.00 0.00 N ATOM 487 CA LYS A 33 11.487 -12.674 -1.576 1.00 0.00 C ATOM 488 C LYS A 33 10.415 -13.443 -2.341 1.00 0.00 C ATOM 489 O LYS A 33 9.220 -13.254 -2.112 1.00 0.00 O ATOM 490 CB LYS A 33 12.366 -13.649 -0.789 1.00 0.00 C ATOM 491 CG LYS A 33 13.427 -12.966 0.056 1.00 0.00 C ATOM 492 CD LYS A 33 14.722 -12.783 -0.716 1.00 0.00 C ATOM 493 CE LYS A 33 14.537 -11.848 -1.902 1.00 0.00 C ATOM 494 NZ LYS A 33 14.203 -12.592 -3.148 1.00 0.00 N ATOM 0 H LYS A 33 10.580 -12.080 0.218 1.00 0.00 H new ATOM 0 HA LYS A 33 12.105 -12.136 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.732 -14.255 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.853 -14.331 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.060 -11.995 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.617 -13.558 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.489 -12.383 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.077 -13.752 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.743 -11.134 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.450 -11.272 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.965 -12.464 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.099 -13.604 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.311 -12.228 -3.541 1.00 0.00 H new ATOM 508 N ASP A 34 10.849 -14.312 -3.248 1.00 0.00 N ATOM 509 CA ASP A 34 9.926 -15.111 -4.044 1.00 0.00 C ATOM 510 C ASP A 34 8.867 -15.762 -3.159 1.00 0.00 C ATOM 511 O ASP A 34 7.668 -15.617 -3.400 1.00 0.00 O ATOM 512 CB ASP A 34 10.688 -16.185 -4.822 1.00 0.00 C ATOM 513 CG ASP A 34 11.462 -17.119 -3.913 1.00 0.00 C ATOM 514 OD1 ASP A 34 12.246 -16.620 -3.079 1.00 0.00 O ATOM 515 OD2 ASP A 34 11.284 -18.350 -4.035 1.00 0.00 O ATOM 0 H ASP A 34 11.835 -14.480 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 34 9.426 -14.448 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.984 -16.765 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.377 -15.706 -5.517 1.00 0.00 H new ATOM 520 N ASP A 35 9.318 -16.478 -2.136 1.00 0.00 N ATOM 521 CA ASP A 35 8.410 -17.151 -1.214 1.00 0.00 C ATOM 522 C ASP A 35 7.313 -16.202 -0.743 1.00 0.00 C ATOM 523 O ASP A 35 6.131 -16.544 -0.769 1.00 0.00 O ATOM 524 CB ASP A 35 9.181 -17.696 -0.011 1.00 0.00 C ATOM 525 CG ASP A 35 8.514 -18.911 0.602 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.840 -19.657 -0.140 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.666 -19.118 1.824 1.00 0.00 O ATOM 0 H ASP A 35 10.307 -16.608 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 35 7.944 -17.982 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.193 -17.958 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.270 -16.915 0.744 1.00 0.00 H new ATOM 532 N GLU A 36 7.713 -15.010 -0.311 1.00 0.00 N ATOM 533 CA GLU A 36 6.763 -14.013 0.168 1.00 0.00 C ATOM 534 C GLU A 36 5.805 -13.596 -0.944 1.00 0.00 C ATOM 535 O GLU A 36 4.586 -13.663 -0.786 1.00 0.00 O ATOM 536 CB GLU A 36 7.504 -12.787 0.704 1.00 0.00 C ATOM 537 CG GLU A 36 8.400 -13.089 1.894 1.00 0.00 C ATOM 538 CD GLU A 36 7.725 -13.974 2.923 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.540 -13.726 3.232 1.00 0.00 O ATOM 540 OE2 GLU A 36 8.380 -14.914 3.419 1.00 0.00 O ATOM 0 H GLU A 36 8.688 -14.712 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 36 6.183 -14.460 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.109 -12.360 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.775 -12.029 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.311 -13.575 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.699 -12.153 2.366 1.00 0.00 H new ATOM 547 N PHE A 37 6.366 -13.165 -2.069 1.00 0.00 N ATOM 548 CA PHE A 37 5.562 -12.735 -3.208 1.00 0.00 C ATOM 549 C PHE A 37 4.458 -13.744 -3.506 1.00 0.00 C ATOM 550 O PHE A 37 3.341 -13.370 -3.862 1.00 0.00 O ATOM 551 CB PHE A 37 6.447 -12.550 -4.442 1.00 0.00 C ATOM 552 CG PHE A 37 7.010 -11.164 -4.574 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.300 -10.173 -5.233 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.249 -10.851 -4.038 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.817 -8.897 -5.357 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.770 -9.576 -4.157 1.00 0.00 C ATOM 557 CZ PHE A 37 8.053 -8.598 -4.817 1.00 0.00 C ATOM 0 H PHE A 37 7.373 -13.104 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 37 5.099 -11.781 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.269 -13.265 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.866 -12.784 -5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.332 -10.400 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.814 -11.612 -3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.255 -8.134 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.737 -9.345 -3.734 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.458 -7.601 -4.911 1.00 0.00 H new ATOM 567 N GLU A 38 4.780 -15.026 -3.358 1.00 0.00 N ATOM 568 CA GLU A 38 3.815 -16.089 -3.614 1.00 0.00 C ATOM 569 C GLU A 38 2.567 -15.909 -2.755 1.00 0.00 C ATOM 570 O GLU A 38 1.444 -16.070 -3.233 1.00 0.00 O ATOM 571 CB GLU A 38 4.445 -17.456 -3.337 1.00 0.00 C ATOM 572 CG GLU A 38 5.520 -17.845 -4.338 1.00 0.00 C ATOM 573 CD GLU A 38 6.227 -19.133 -3.964 1.00 0.00 C ATOM 574 OE1 GLU A 38 6.425 -19.372 -2.755 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.583 -19.902 -4.882 1.00 0.00 O ATOM 0 H GLU A 38 5.700 -15.353 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 38 3.524 -16.036 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.877 -17.452 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.663 -18.215 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.070 -17.955 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.252 -17.041 -4.410 1.00 0.00 H new ATOM 582 N GLN A 39 2.772 -15.574 -1.485 1.00 0.00 N ATOM 583 CA GLN A 39 1.664 -15.374 -0.559 1.00 0.00 C ATOM 584 C GLN A 39 0.640 -14.403 -1.139 1.00 0.00 C ATOM 585 O GLN A 39 -0.557 -14.691 -1.167 1.00 0.00 O ATOM 586 CB GLN A 39 2.180 -14.849 0.781 1.00 0.00 C ATOM 587 CG GLN A 39 2.991 -15.870 1.563 1.00 0.00 C ATOM 588 CD GLN A 39 3.178 -15.479 3.015 1.00 0.00 C ATOM 589 OE1 GLN A 39 2.248 -15.563 3.818 1.00 0.00 O ATOM 590 NE2 GLN A 39 4.386 -15.049 3.362 1.00 0.00 N ATOM 0 H GLN A 39 3.695 -15.435 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 39 1.177 -16.336 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.796 -13.967 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.332 -14.529 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.494 -16.839 1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.968 -15.989 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.128 -14.995 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.571 -14.773 4.326 1.00 0.00 H new ATOM 599 N LEU A 40 1.118 -13.252 -1.599 1.00 0.00 N ATOM 600 CA LEU A 40 0.244 -12.237 -2.177 1.00 0.00 C ATOM 601 C LEU A 40 -0.292 -12.689 -3.532 1.00 0.00 C ATOM 602 O LEU A 40 -1.474 -12.518 -3.832 1.00 0.00 O ATOM 603 CB LEU A 40 0.996 -10.914 -2.329 1.00 0.00 C ATOM 604 CG LEU A 40 1.512 -10.284 -1.035 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.779 -9.486 -1.298 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.443 -9.399 -0.409 1.00 0.00 C ATOM 0 H LEU A 40 2.106 -12.998 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.600 -12.092 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.844 -11.075 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.337 -10.199 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 40 1.750 -11.084 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.131 -9.045 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.548 -10.146 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.568 -8.694 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.828 -8.959 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.174 -8.605 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.439 -9.998 -0.183 1.00 0.00 H new ATOM 618 N SER A 41 0.585 -13.267 -4.347 1.00 0.00 N ATOM 619 CA SER A 41 0.200 -13.742 -5.671 1.00 0.00 C ATOM 620 C SER A 41 -0.945 -14.745 -5.577 1.00 0.00 C ATOM 621 O SER A 41 -1.797 -14.816 -6.462 1.00 0.00 O ATOM 622 CB SER A 41 1.398 -14.384 -6.373 1.00 0.00 C ATOM 623 OG SER A 41 1.466 -15.773 -6.100 1.00 0.00 O ATOM 0 H SER A 41 1.566 -13.418 -4.114 1.00 0.00 H new ATOM 0 HA SER A 41 -0.138 -12.885 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.321 -14.225 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.318 -13.900 -6.044 1.00 0.00 H new ATOM 0 HG SER A 41 1.446 -15.917 -5.131 1.00 0.00 H new ATOM 629 N ASN A 42 -0.959 -15.519 -4.496 1.00 0.00 N ATOM 630 CA ASN A 42 -1.999 -16.519 -4.285 1.00 0.00 C ATOM 631 C ASN A 42 -3.282 -15.871 -3.774 1.00 0.00 C ATOM 632 O ASN A 42 -4.385 -16.307 -4.104 1.00 0.00 O ATOM 633 CB ASN A 42 -1.521 -17.581 -3.292 1.00 0.00 C ATOM 634 CG ASN A 42 -0.747 -18.697 -3.967 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.333 -19.641 -4.498 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.577 -18.594 -3.950 1.00 0.00 N ATOM 0 H ASN A 42 -0.262 -15.473 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.210 -16.995 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.891 -17.111 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.382 -18.002 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.150 -19.315 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.021 -17.794 -3.498 1.00 0.00 H new ATOM 643 N LEU A 43 -3.130 -14.826 -2.968 1.00 0.00 N ATOM 644 CA LEU A 43 -4.276 -14.115 -2.412 1.00 0.00 C ATOM 645 C LEU A 43 -5.000 -13.319 -3.493 1.00 0.00 C ATOM 646 O LEU A 43 -6.189 -13.525 -3.738 1.00 0.00 O ATOM 647 CB LEU A 43 -3.825 -13.180 -1.289 1.00 0.00 C ATOM 648 CG LEU A 43 -4.813 -12.083 -0.891 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.143 -12.690 -0.472 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.239 -11.228 0.229 1.00 0.00 C ATOM 0 H LEU A 43 -2.224 -14.452 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.968 -14.853 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.608 -13.783 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.890 -12.707 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.985 -11.444 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.834 -11.895 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.561 -13.258 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.988 -13.353 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.956 -10.453 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.037 -11.854 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.312 -10.764 -0.106 1.00 0.00 H new ATOM 662 N LEU A 44 -4.275 -12.412 -4.137 1.00 0.00 N ATOM 663 CA LEU A 44 -4.848 -11.585 -5.194 1.00 0.00 C ATOM 664 C LEU A 44 -4.971 -12.373 -6.495 1.00 0.00 C ATOM 665 O LEU A 44 -5.569 -11.904 -7.462 1.00 0.00 O ATOM 666 CB LEU A 44 -3.987 -10.341 -5.418 1.00 0.00 C ATOM 667 CG LEU A 44 -3.641 -9.530 -4.169 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.489 -8.579 -4.452 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.859 -8.763 -3.676 1.00 0.00 C ATOM 0 H LEU A 44 -3.290 -12.230 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.846 -11.277 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.057 -10.649 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.505 -9.687 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.330 -10.221 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.257 -8.010 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.612 -9.150 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.771 -7.894 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.594 -8.192 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.201 -8.082 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.657 -9.465 -3.432 1.00 0.00 H new ATOM 681 N ASN A 45 -4.402 -13.574 -6.509 1.00 0.00 N ATOM 682 CA ASN A 45 -4.450 -14.429 -7.690 1.00 0.00 C ATOM 683 C ASN A 45 -3.783 -13.748 -8.881 1.00 0.00 C ATOM 684 O ASN A 45 -4.163 -13.972 -10.031 1.00 0.00 O ATOM 685 CB ASN A 45 -5.899 -14.778 -8.034 1.00 0.00 C ATOM 686 CG ASN A 45 -6.367 -16.046 -7.345 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.370 -16.044 -6.631 1.00 0.00 O ATOM 688 ND2 ASN A 45 -5.640 -17.137 -7.557 1.00 0.00 N ATOM 0 H ASN A 45 -3.902 -13.977 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.906 -15.347 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.547 -13.951 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.995 -14.897 -9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.906 -18.020 -7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.816 -17.092 -8.157 1.00 0.00 H new ATOM 695 N LEU A 46 -2.787 -12.915 -8.598 1.00 0.00 N ATOM 696 CA LEU A 46 -2.066 -12.201 -9.646 1.00 0.00 C ATOM 697 C LEU A 46 -0.653 -12.753 -9.807 1.00 0.00 C ATOM 698 O LEU A 46 -0.062 -13.297 -8.874 1.00 0.00 O ATOM 699 CB LEU A 46 -2.008 -10.707 -9.326 1.00 0.00 C ATOM 700 CG LEU A 46 -3.354 -9.983 -9.256 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.178 -8.582 -8.693 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.002 -9.929 -10.632 1.00 0.00 C ATOM 0 H LEU A 46 -2.461 -12.718 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.602 -12.345 -10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.500 -10.580 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.394 -10.217 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.011 -10.541 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.146 -8.083 -8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.757 -8.643 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.504 -8.014 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.958 -9.411 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.348 -9.395 -11.321 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.164 -10.943 -10.998 1.00 0.00 H new ATOM 714 N PRO A 47 -0.095 -12.608 -11.019 1.00 0.00 N ATOM 715 CA PRO A 47 1.256 -13.083 -11.330 1.00 0.00 C ATOM 716 C PRO A 47 2.334 -12.264 -10.628 1.00 0.00 C ATOM 717 O PRO A 47 2.310 -11.033 -10.654 1.00 0.00 O ATOM 718 CB PRO A 47 1.353 -12.906 -12.848 1.00 0.00 C ATOM 719 CG PRO A 47 0.383 -11.822 -13.166 1.00 0.00 C ATOM 720 CD PRO A 47 -0.741 -11.970 -12.178 1.00 0.00 C ATOM 0 HA PRO A 47 1.415 -14.108 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.364 -12.634 -13.151 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.101 -13.829 -13.371 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.851 -10.842 -13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.018 -11.913 -14.189 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.175 -11.005 -11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.548 -12.584 -12.577 1.00 0.00 H new ATOM 728 N THR A 48 3.282 -12.955 -10.002 1.00 0.00 N ATOM 729 CA THR A 48 4.368 -12.292 -9.292 1.00 0.00 C ATOM 730 C THR A 48 4.972 -11.173 -10.133 1.00 0.00 C ATOM 731 O THR A 48 5.440 -10.166 -9.600 1.00 0.00 O ATOM 732 CB THR A 48 5.480 -13.287 -8.910 1.00 0.00 C ATOM 733 OG1 THR A 48 5.666 -14.241 -9.962 1.00 0.00 O ATOM 734 CG2 THR A 48 5.137 -14.011 -7.617 1.00 0.00 C ATOM 0 H THR A 48 3.319 -13.974 -9.973 1.00 0.00 H new ATOM 0 HA THR A 48 3.939 -11.870 -8.383 1.00 0.00 H new ATOM 0 HB THR A 48 6.403 -12.727 -8.760 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.376 -14.869 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.937 -14.708 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.024 -13.285 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.204 -14.560 -7.744 1.00 0.00 H new ATOM 742 N ARG A 49 4.957 -11.354 -11.449 1.00 0.00 N ATOM 743 CA ARG A 49 5.503 -10.359 -12.364 1.00 0.00 C ATOM 744 C ARG A 49 4.751 -9.037 -12.242 1.00 0.00 C ATOM 745 O ARG A 49 5.342 -7.962 -12.344 1.00 0.00 O ATOM 746 CB ARG A 49 5.433 -10.866 -13.805 1.00 0.00 C ATOM 747 CG ARG A 49 4.079 -10.649 -14.462 1.00 0.00 C ATOM 748 CD ARG A 49 4.016 -9.309 -15.178 1.00 0.00 C ATOM 749 NE ARG A 49 4.846 -9.291 -16.380 1.00 0.00 N ATOM 750 CZ ARG A 49 5.082 -8.195 -17.093 1.00 0.00 C ATOM 751 NH1 ARG A 49 4.555 -7.035 -16.727 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.848 -8.259 -18.175 1.00 0.00 N ATOM 0 H ARG A 49 4.572 -12.181 -11.906 1.00 0.00 H new ATOM 0 HA ARG A 49 6.546 -10.190 -12.096 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.199 -10.363 -14.396 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.668 -11.930 -13.819 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.885 -11.452 -15.173 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.295 -10.696 -13.706 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.983 -9.090 -15.448 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.342 -8.520 -14.500 1.00 0.00 H new ATOM 0 HE ARG A 49 5.267 -10.167 -16.689 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.966 -6.982 -15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.738 -6.196 -17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.256 -9.150 -18.459 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.029 -7.417 -18.722 1.00 0.00 H new ATOM 766 N VAL A 50 3.443 -9.124 -12.022 1.00 0.00 N ATOM 767 CA VAL A 50 2.609 -7.936 -11.885 1.00 0.00 C ATOM 768 C VAL A 50 2.805 -7.282 -10.522 1.00 0.00 C ATOM 769 O VAL A 50 2.767 -6.057 -10.399 1.00 0.00 O ATOM 770 CB VAL A 50 1.118 -8.272 -12.072 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.245 -7.162 -11.507 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.806 -8.510 -13.542 1.00 0.00 C ATOM 0 H VAL A 50 2.938 -10.006 -11.935 1.00 0.00 H new ATOM 0 HA VAL A 50 2.917 -7.241 -12.666 1.00 0.00 H new ATOM 0 HB VAL A 50 0.899 -9.188 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.805 -7.417 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.450 -7.044 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.464 -6.228 -12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.252 -8.746 -13.656 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.041 -7.612 -14.114 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.405 -9.342 -13.911 1.00 0.00 H new ATOM 782 N ILE A 51 3.015 -8.106 -9.501 1.00 0.00 N ATOM 783 CA ILE A 51 3.218 -7.607 -8.147 1.00 0.00 C ATOM 784 C ILE A 51 4.622 -7.038 -7.976 1.00 0.00 C ATOM 785 O ILE A 51 4.827 -6.070 -7.243 1.00 0.00 O ATOM 786 CB ILE A 51 2.993 -8.713 -7.100 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.715 -9.494 -7.417 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.921 -8.114 -5.703 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.535 -10.729 -6.563 1.00 0.00 C ATOM 0 H ILE A 51 3.049 -9.122 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 51 2.486 -6.815 -7.989 1.00 0.00 H new ATOM 0 HB ILE A 51 3.836 -9.403 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.855 -8.839 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.729 -9.787 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.762 -8.909 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.855 -7.599 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.095 -7.405 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.609 -11.233 -6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.376 -11.404 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.489 -10.441 -5.513 1.00 0.00 H new ATOM 801 N VAL A 52 5.588 -7.646 -8.658 1.00 0.00 N ATOM 802 CA VAL A 52 6.974 -7.198 -8.584 1.00 0.00 C ATOM 803 C VAL A 52 7.127 -5.788 -9.142 1.00 0.00 C ATOM 804 O VAL A 52 7.601 -4.884 -8.453 1.00 0.00 O ATOM 805 CB VAL A 52 7.912 -8.147 -9.353 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.342 -7.631 -9.316 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.829 -9.555 -8.784 1.00 0.00 C ATOM 0 H VAL A 52 5.436 -8.450 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 52 7.251 -7.200 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 52 7.591 -8.182 -10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.990 -8.315 -9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.384 -6.644 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.678 -7.564 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.498 -10.212 -9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.123 -9.541 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.806 -9.922 -8.870 1.00 0.00 H new ATOM 817 N VAL A 53 6.720 -5.605 -10.394 1.00 0.00 N ATOM 818 CA VAL A 53 6.810 -4.304 -11.045 1.00 0.00 C ATOM 819 C VAL A 53 6.182 -3.214 -10.184 1.00 0.00 C ATOM 820 O VAL A 53 6.682 -2.091 -10.124 1.00 0.00 O ATOM 821 CB VAL A 53 6.120 -4.316 -12.422 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.146 -2.929 -13.045 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.780 -5.334 -13.339 1.00 0.00 C ATOM 0 H VAL A 53 6.325 -6.342 -10.978 1.00 0.00 H new ATOM 0 HA VAL A 53 7.870 -4.091 -11.180 1.00 0.00 H new ATOM 0 HB VAL A 53 5.078 -4.606 -12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.654 -2.958 -14.017 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.623 -2.228 -12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.179 -2.606 -13.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.280 -5.329 -14.308 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.831 -5.077 -13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.703 -6.327 -12.896 1.00 0.00 H new ATOM 833 N TRP A 54 5.084 -3.553 -9.518 1.00 0.00 N ATOM 834 CA TRP A 54 4.388 -2.603 -8.658 1.00 0.00 C ATOM 835 C TRP A 54 5.228 -2.260 -7.433 1.00 0.00 C ATOM 836 O TRP A 54 5.360 -1.092 -7.066 1.00 0.00 O ATOM 837 CB TRP A 54 3.037 -3.173 -8.222 1.00 0.00 C ATOM 838 CG TRP A 54 2.205 -2.200 -7.443 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.131 -1.491 -7.899 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.380 -1.828 -6.072 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.628 -0.701 -6.894 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.376 -0.890 -5.763 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.287 -2.197 -5.074 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.256 -0.317 -4.500 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.166 -1.628 -3.821 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.157 -0.697 -3.542 1.00 0.00 C ATOM 0 H TRP A 54 4.657 -4.478 -9.557 1.00 0.00 H new ATOM 0 HA TRP A 54 4.222 -1.689 -9.228 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.482 -3.489 -9.105 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.205 -4.063 -7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.735 -1.544 -8.902 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.173 -0.075 -6.977 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.068 -2.914 -5.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.480 0.402 -4.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.861 -1.906 -3.043 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.089 -0.271 -2.552 1.00 0.00 H new ATOM 857 N PHE A 55 5.795 -3.284 -6.804 1.00 0.00 N ATOM 858 CA PHE A 55 6.622 -3.090 -5.619 1.00 0.00 C ATOM 859 C PHE A 55 7.891 -2.315 -5.962 1.00 0.00 C ATOM 860 O PHE A 55 8.320 -1.442 -5.209 1.00 0.00 O ATOM 861 CB PHE A 55 6.987 -4.440 -4.999 1.00 0.00 C ATOM 862 CG PHE A 55 6.004 -4.911 -3.966 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.691 -5.186 -4.314 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.392 -5.078 -2.646 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.784 -5.620 -3.366 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.489 -5.512 -1.694 1.00 0.00 C ATOM 867 CZ PHE A 55 4.183 -5.782 -2.054 1.00 0.00 C ATOM 0 H PHE A 55 5.697 -4.257 -7.095 1.00 0.00 H new ATOM 0 HA PHE A 55 6.047 -2.510 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.057 -5.187 -5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.974 -4.366 -4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.373 -5.060 -5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.411 -4.867 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.764 -5.832 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.804 -5.640 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.475 -6.119 -1.311 1.00 0.00 H new ATOM 877 N GLN A 56 8.486 -2.643 -7.105 1.00 0.00 N ATOM 878 CA GLN A 56 9.707 -1.980 -7.548 1.00 0.00 C ATOM 879 C GLN A 56 9.504 -0.471 -7.637 1.00 0.00 C ATOM 880 O GLN A 56 10.289 0.304 -7.091 1.00 0.00 O ATOM 881 CB GLN A 56 10.147 -2.529 -8.906 1.00 0.00 C ATOM 882 CG GLN A 56 10.864 -3.866 -8.818 1.00 0.00 C ATOM 883 CD GLN A 56 11.771 -4.121 -10.006 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.933 -3.714 -10.013 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.243 -4.797 -11.020 1.00 0.00 N ATOM 0 H GLN A 56 8.143 -3.363 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 56 10.487 -2.181 -6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.271 -2.637 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.805 -1.804 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.454 -3.898 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.126 -4.666 -8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.275 -5.116 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.805 -4.998 -11.847 1.00 0.00 H new ATOM 894 N ASN A 57 8.447 -0.061 -8.330 1.00 0.00 N ATOM 895 CA ASN A 57 8.142 1.356 -8.492 1.00 0.00 C ATOM 896 C ASN A 57 7.848 2.007 -7.143 1.00 0.00 C ATOM 897 O ASN A 57 8.462 3.010 -6.780 1.00 0.00 O ATOM 898 CB ASN A 57 6.947 1.538 -9.430 1.00 0.00 C ATOM 899 CG ASN A 57 7.320 1.342 -10.886 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.287 2.284 -11.679 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.676 0.114 -11.245 1.00 0.00 N ATOM 0 H ASN A 57 7.787 -0.690 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 57 9.015 1.842 -8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.165 0.829 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.532 2.537 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.937 -0.079 -12.212 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.689 -0.636 -10.554 1.00 0.00 H new ATOM 908 N ALA A 58 6.906 1.429 -6.406 1.00 0.00 N ATOM 909 CA ALA A 58 6.532 1.950 -5.097 1.00 0.00 C ATOM 910 C ALA A 58 7.765 2.353 -4.295 1.00 0.00 C ATOM 911 O ALA A 58 7.757 3.365 -3.593 1.00 0.00 O ATOM 912 CB ALA A 58 5.715 0.920 -4.332 1.00 0.00 C ATOM 0 H ALA A 58 6.387 0.599 -6.693 1.00 0.00 H new ATOM 0 HA ALA A 58 5.922 2.840 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.443 1.323 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.810 0.684 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.306 0.014 -4.198 1.00 0.00 H new ATOM 918 N ARG A 59 8.822 1.554 -4.402 1.00 0.00 N ATOM 919 CA ARG A 59 10.061 1.827 -3.684 1.00 0.00 C ATOM 920 C ARG A 59 10.742 3.078 -4.231 1.00 0.00 C ATOM 921 O ARG A 59 11.208 3.925 -3.470 1.00 0.00 O ATOM 922 CB ARG A 59 11.009 0.631 -3.787 1.00 0.00 C ATOM 923 CG ARG A 59 10.543 -0.585 -3.002 1.00 0.00 C ATOM 924 CD ARG A 59 11.691 -1.543 -2.728 1.00 0.00 C ATOM 925 NE ARG A 59 11.907 -2.471 -3.835 1.00 0.00 N ATOM 926 CZ ARG A 59 12.645 -2.184 -4.901 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.236 -1.001 -5.004 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.794 -3.081 -5.868 1.00 0.00 N ATOM 0 H ARG A 59 8.845 0.713 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 59 9.814 1.997 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.120 0.355 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.995 0.928 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.103 -0.264 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.761 -1.102 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.603 -0.974 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.483 -2.106 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 59 11.467 -3.390 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.124 -0.309 -4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.802 -0.783 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.341 -3.992 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.361 -2.859 -6.686 1.00 0.00 H new