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= -0.961 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.87! C(o=-4.9!,f=-6.1!) USER MOD Single : A 23 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.9!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.129 F(o=-1.1,f=-0.13) 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 K(o=0,f=-1.8) USER MOD Single : A 41 SER OG : rot -48:sc= 0.375 USER MOD Single : A 42 ASN : amide:sc= 0.537 K(o=0.54,f=-0.0037) USER MOD Single : A 45 ASN : amide:sc=-0.00972 K(o=-0.0097,f=-0.79) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0214 F(o=-1.3,f=-0.021) USER MOD Single : A 57 ASN : amide:sc= 1.12 K(o=1.1,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.435 -2.335 -10.795 1.00 0.00 N ATOM 175 CA PHE A 14 -5.823 -3.146 -9.646 1.00 0.00 C ATOM 176 C PHE A 14 -7.078 -2.585 -8.983 1.00 0.00 C ATOM 177 O PHE A 14 -7.442 -1.428 -9.195 1.00 0.00 O ATOM 178 CB PHE A 14 -4.680 -3.208 -8.630 1.00 0.00 C ATOM 179 CG PHE A 14 -3.367 -3.624 -9.229 1.00 0.00 C ATOM 180 CD1 PHE A 14 -3.015 -4.963 -9.297 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.486 -2.678 -9.726 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.807 -5.348 -9.847 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.277 -3.057 -10.277 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.938 -4.395 -10.339 1.00 0.00 C ATOM 0 HA PHE A 14 -6.040 -4.154 -10.001 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.564 -2.229 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.947 -3.907 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.692 -5.713 -8.916 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.747 -1.631 -9.682 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.543 -6.394 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.598 -2.309 -10.659 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.005 -4.695 -10.772 1.00 0.00 H new ATOM 194 N THR A 15 -7.736 -3.413 -8.178 1.00 0.00 N ATOM 195 CA THR A 15 -8.950 -3.002 -7.486 1.00 0.00 C ATOM 196 C THR A 15 -8.642 -2.531 -6.069 1.00 0.00 C ATOM 197 O THR A 15 -7.714 -3.025 -5.428 1.00 0.00 O ATOM 198 CB THR A 15 -9.976 -4.150 -7.422 1.00 0.00 C ATOM 199 OG1 THR A 15 -9.563 -5.123 -6.456 1.00 0.00 O ATOM 200 CG2 THR A 15 -10.133 -4.812 -8.782 1.00 0.00 C ATOM 0 H THR A 15 -7.448 -4.373 -7.989 1.00 0.00 H new ATOM 0 HA THR A 15 -9.375 -2.176 -8.056 1.00 0.00 H new ATOM 0 HB THR A 15 -10.938 -3.732 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.221 -5.848 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.862 -5.619 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.476 -4.075 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.173 -5.217 -9.102 1.00 0.00 H new ATOM 208 N ASP A 16 -9.427 -1.575 -5.585 1.00 0.00 N ATOM 209 CA ASP A 16 -9.239 -1.038 -4.242 1.00 0.00 C ATOM 210 C ASP A 16 -8.894 -2.150 -3.256 1.00 0.00 C ATOM 211 O ASP A 16 -8.144 -1.938 -2.303 1.00 0.00 O ATOM 212 CB ASP A 16 -10.500 -0.304 -3.782 1.00 0.00 C ATOM 213 CG ASP A 16 -10.710 1.003 -4.520 1.00 0.00 C ATOM 214 OD1 ASP A 16 -11.079 0.959 -5.712 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.505 2.071 -3.906 1.00 0.00 O ATOM 0 H ASP A 16 -10.200 -1.156 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.408 -0.333 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.367 -0.947 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.432 -0.107 -2.712 1.00 0.00 H new ATOM 220 N TYR A 17 -9.448 -3.334 -3.491 1.00 0.00 N ATOM 221 CA TYR A 17 -9.202 -4.479 -2.621 1.00 0.00 C ATOM 222 C TYR A 17 -7.775 -4.992 -2.787 1.00 0.00 C ATOM 223 O TYR A 17 -7.110 -5.334 -1.810 1.00 0.00 O ATOM 224 CB TYR A 17 -10.198 -5.599 -2.925 1.00 0.00 C ATOM 225 CG TYR A 17 -9.662 -6.982 -2.629 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.109 -7.284 -1.391 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.707 -7.986 -3.589 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.618 -8.546 -1.117 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.220 -9.251 -3.323 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.676 -9.526 -2.086 1.00 0.00 C ATOM 231 OH TYR A 17 -8.187 -10.784 -1.818 1.00 0.00 O ATOM 0 H TYR A 17 -10.070 -3.527 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.334 -4.155 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.104 -5.437 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.482 -5.546 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.062 -6.519 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.130 -7.773 -4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.191 -8.764 -0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.265 -10.020 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.305 -11.355 -2.605 1.00 0.00 H new ATOM 241 N GLN A 18 -7.313 -5.043 -4.032 1.00 0.00 N ATOM 242 CA GLN A 18 -5.965 -5.515 -4.327 1.00 0.00 C ATOM 243 C GLN A 18 -4.920 -4.512 -3.849 1.00 0.00 C ATOM 244 O GLN A 18 -3.969 -4.873 -3.154 1.00 0.00 O ATOM 245 CB GLN A 18 -5.805 -5.759 -5.828 1.00 0.00 C ATOM 246 CG GLN A 18 -6.741 -6.825 -6.375 1.00 0.00 C ATOM 247 CD GLN A 18 -6.219 -7.464 -7.647 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.713 -6.780 -8.537 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.340 -8.783 -7.739 1.00 0.00 N ATOM 0 H GLN A 18 -7.851 -4.764 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.811 -6.454 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.982 -4.824 -6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.775 -6.052 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.888 -7.597 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.717 -6.381 -6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.766 -9.310 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.007 -9.269 -8.572 1.00 0.00 H new ATOM 258 N LEU A 19 -5.102 -3.251 -4.225 1.00 0.00 N ATOM 259 CA LEU A 19 -4.175 -2.194 -3.834 1.00 0.00 C ATOM 260 C LEU A 19 -4.018 -2.141 -2.318 1.00 0.00 C ATOM 261 O LEU A 19 -2.945 -1.823 -1.806 1.00 0.00 O ATOM 262 CB LEU A 19 -4.663 -0.842 -4.356 1.00 0.00 C ATOM 263 CG LEU A 19 -4.486 -0.597 -5.855 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.191 0.683 -6.274 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.008 -0.537 -6.215 1.00 0.00 C ATOM 0 H LEU A 19 -5.883 -2.935 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.203 -2.416 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.721 -0.742 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.137 -0.055 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.938 -1.429 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.054 0.840 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.255 0.601 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.770 1.526 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.901 -0.362 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.532 0.275 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.531 -1.481 -5.952 1.00 0.00 H new ATOM 277 N ARG A 20 -5.095 -2.455 -1.605 1.00 0.00 N ATOM 278 CA ARG A 20 -5.077 -2.443 -0.147 1.00 0.00 C ATOM 279 C ARG A 20 -4.066 -3.451 0.392 1.00 0.00 C ATOM 280 O ARG A 20 -3.265 -3.133 1.271 1.00 0.00 O ATOM 281 CB ARG A 20 -6.469 -2.756 0.404 1.00 0.00 C ATOM 282 CG ARG A 20 -6.580 -2.585 1.910 1.00 0.00 C ATOM 283 CD ARG A 20 -6.491 -1.122 2.313 1.00 0.00 C ATOM 284 NE ARG A 20 -6.614 -0.943 3.757 1.00 0.00 N ATOM 285 CZ ARG A 20 -5.593 -1.047 4.600 1.00 0.00 C ATOM 286 NH1 ARG A 20 -4.380 -1.327 4.146 1.00 0.00 N ATOM 287 NH2 ARG A 20 -5.785 -0.870 5.901 1.00 0.00 N ATOM 0 H ARG A 20 -5.991 -2.721 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.780 -1.446 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.197 -2.106 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.732 -3.781 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.526 -3.002 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.786 -3.148 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.539 -0.711 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.277 -0.559 1.810 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.535 -0.726 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.228 -1.463 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.598 -1.406 4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.717 -0.654 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.000 -0.950 6.548 1.00 0.00 H new ATOM 301 N VAL A 21 -4.110 -4.668 -0.141 1.00 0.00 N ATOM 302 CA VAL A 21 -3.198 -5.723 0.286 1.00 0.00 C ATOM 303 C VAL A 21 -1.779 -5.454 -0.204 1.00 0.00 C ATOM 304 O VAL A 21 -0.810 -5.644 0.532 1.00 0.00 O ATOM 305 CB VAL A 21 -3.654 -7.101 -0.228 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.673 -8.182 0.199 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.057 -7.417 0.267 1.00 0.00 C ATOM 0 H VAL A 21 -4.767 -4.948 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.208 -5.729 1.376 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.676 -7.074 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.012 -9.149 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.687 -7.961 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.616 -8.212 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.363 -8.394 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.065 -7.426 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.750 -6.658 -0.095 1.00 0.00 H new ATOM 317 N LEU A 22 -1.664 -5.011 -1.451 1.00 0.00 N ATOM 318 CA LEU A 22 -0.363 -4.714 -2.040 1.00 0.00 C ATOM 319 C LEU A 22 0.320 -3.566 -1.303 1.00 0.00 C ATOM 320 O LEU A 22 1.518 -3.620 -1.027 1.00 0.00 O ATOM 321 CB LEU A 22 -0.519 -4.364 -3.521 1.00 0.00 C ATOM 322 CG LEU A 22 -1.043 -5.482 -4.423 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.421 -4.931 -5.790 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.005 -6.586 -4.560 1.00 0.00 C ATOM 0 H LEU A 22 -2.456 -4.850 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 22 0.261 -5.603 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.194 -3.512 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.450 -4.041 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.937 -5.905 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.792 -5.740 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.198 -4.175 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.544 -4.482 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.394 -7.374 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.906 -6.177 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.218 -7.000 -3.577 1.00 0.00 H new ATOM 336 N GLN A 23 -0.451 -2.531 -0.988 1.00 0.00 N ATOM 337 CA GLN A 23 0.080 -1.371 -0.282 1.00 0.00 C ATOM 338 C GLN A 23 0.362 -1.705 1.180 1.00 0.00 C ATOM 339 O GLN A 23 1.354 -1.252 1.750 1.00 0.00 O ATOM 340 CB GLN A 23 -0.901 -0.201 -0.369 1.00 0.00 C ATOM 341 CG GLN A 23 -0.236 1.161 -0.258 1.00 0.00 C ATOM 342 CD GLN A 23 0.807 1.213 0.842 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.478 1.165 2.028 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.073 1.311 0.454 1.00 0.00 N ATOM 0 H GLN A 23 -1.445 -2.472 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 23 1.018 -1.086 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.438 -0.258 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.642 -0.300 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.232 1.411 -1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.997 1.918 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.300 1.348 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.818 1.349 1.150 1.00 0.00 H new ATOM 353 N ASP A 24 -0.518 -2.499 1.780 1.00 0.00 N ATOM 354 CA ASP A 24 -0.364 -2.895 3.175 1.00 0.00 C ATOM 355 C ASP A 24 0.902 -3.724 3.368 1.00 0.00 C ATOM 356 O ASP A 24 1.606 -3.579 4.368 1.00 0.00 O ATOM 357 CB ASP A 24 -1.585 -3.690 3.640 1.00 0.00 C ATOM 358 CG ASP A 24 -1.470 -4.136 5.084 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.532 -4.899 5.396 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.318 -3.722 5.903 1.00 0.00 O ATOM 0 H ASP A 24 -1.345 -2.881 1.322 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.279 -1.990 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.480 -3.078 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.710 -4.565 3.002 1.00 0.00 H new ATOM 365 N PHE A 25 1.186 -4.595 2.405 1.00 0.00 N ATOM 366 CA PHE A 25 2.366 -5.449 2.469 1.00 0.00 C ATOM 367 C PHE A 25 3.635 -4.644 2.206 1.00 0.00 C ATOM 368 O PHE A 25 4.710 -4.979 2.704 1.00 0.00 O ATOM 369 CB PHE A 25 2.252 -6.590 1.456 1.00 0.00 C ATOM 370 CG PHE A 25 3.256 -7.686 1.671 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.602 -7.468 1.427 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.853 -8.934 2.117 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.529 -8.475 1.625 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.775 -9.944 2.318 1.00 0.00 C ATOM 375 CZ PHE A 25 5.114 -9.715 2.070 1.00 0.00 C ATOM 0 H PHE A 25 0.615 -4.728 1.571 1.00 0.00 H new ATOM 0 HA PHE A 25 2.425 -5.869 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.248 -7.012 1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.376 -6.187 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.931 -6.500 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.807 -9.120 2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.576 -8.292 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.448 -10.912 2.669 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.835 -10.504 2.224 1.00 0.00 H new ATOM 385 N PHE A 26 3.502 -3.582 1.418 1.00 0.00 N ATOM 386 CA PHE A 26 4.638 -2.730 1.087 1.00 0.00 C ATOM 387 C PHE A 26 5.013 -1.839 2.268 1.00 0.00 C ATOM 388 O PHE A 26 6.189 -1.703 2.607 1.00 0.00 O ATOM 389 CB PHE A 26 4.315 -1.866 -0.135 1.00 0.00 C ATOM 390 CG PHE A 26 5.409 -0.902 -0.494 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.576 0.274 0.220 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.271 -1.172 -1.544 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.582 1.163 -0.109 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.279 -0.287 -1.878 1.00 0.00 C ATOM 395 CZ PHE A 26 7.435 0.882 -1.158 1.00 0.00 C ATOM 0 H PHE A 26 2.620 -3.291 0.997 1.00 0.00 H new ATOM 0 HA PHE A 26 5.487 -3.373 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.120 -2.516 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.398 -1.308 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.913 0.498 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.154 -2.085 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.701 2.077 0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.943 -0.509 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.223 1.575 -1.415 1.00 0.00 H new ATOM 405 N ASP A 27 4.006 -1.236 2.889 1.00 0.00 N ATOM 406 CA ASP A 27 4.229 -0.359 4.033 1.00 0.00 C ATOM 407 C ASP A 27 4.995 -1.085 5.134 1.00 0.00 C ATOM 408 O ASP A 27 5.728 -0.468 5.904 1.00 0.00 O ATOM 409 CB ASP A 27 2.895 0.155 4.576 1.00 0.00 C ATOM 410 CG ASP A 27 3.042 1.460 5.334 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.430 1.416 6.520 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.768 2.525 4.741 1.00 0.00 O ATOM 0 H ASP A 27 3.027 -1.338 2.620 1.00 0.00 H new ATOM 0 HA ASP A 27 4.827 0.489 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.199 0.295 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.460 -0.597 5.234 1.00 0.00 H new ATOM 417 N ALA A 28 4.817 -2.401 5.202 1.00 0.00 N ATOM 418 CA ALA A 28 5.492 -3.212 6.208 1.00 0.00 C ATOM 419 C ALA A 28 6.754 -3.853 5.640 1.00 0.00 C ATOM 420 O ALA A 28 7.783 -3.918 6.310 1.00 0.00 O ATOM 421 CB ALA A 28 4.550 -4.280 6.743 1.00 0.00 C ATOM 0 H ALA A 28 4.211 -2.928 4.573 1.00 0.00 H new ATOM 0 HA ALA A 28 5.786 -2.558 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.067 -4.878 7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.680 -3.804 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.228 -4.924 5.925 1.00 0.00 H new ATOM 427 N ASN A 29 6.666 -4.325 4.401 1.00 0.00 N ATOM 428 CA ASN A 29 7.801 -4.962 3.743 1.00 0.00 C ATOM 429 C ASN A 29 7.792 -4.677 2.245 1.00 0.00 C ATOM 430 O ASN A 29 6.814 -4.960 1.554 1.00 0.00 O ATOM 431 CB ASN A 29 7.776 -6.473 3.986 1.00 0.00 C ATOM 432 CG ASN A 29 9.095 -7.136 3.640 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.035 -8.174 2.814 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.154 -6.720 4.110 1.00 0.00 N flip ATOM 0 H ASN A 29 5.821 -4.278 3.832 1.00 0.00 H new ATOM 0 HA ASN A 29 8.715 -4.547 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.539 -6.666 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.980 -6.921 3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.152 -5.919 4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.033 -7.177 3.868 1.00 0.00 H new ATOM 441 N ALA A 30 8.890 -4.116 1.748 1.00 0.00 N ATOM 442 CA ALA A 30 9.010 -3.794 0.332 1.00 0.00 C ATOM 443 C ALA A 30 10.186 -4.531 -0.301 1.00 0.00 C ATOM 444 O ALA A 30 10.578 -4.240 -1.431 1.00 0.00 O ATOM 445 CB ALA A 30 9.163 -2.292 0.142 1.00 0.00 C ATOM 0 H ALA A 30 9.709 -3.875 2.306 1.00 0.00 H new ATOM 0 HA ALA A 30 8.098 -4.121 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.252 -2.067 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.289 -1.783 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.058 -1.949 0.661 1.00 0.00 H new ATOM 451 N TYR A 31 10.745 -5.486 0.436 1.00 0.00 N ATOM 452 CA TYR A 31 11.878 -6.262 -0.052 1.00 0.00 C ATOM 453 C TYR A 31 11.663 -7.753 0.192 1.00 0.00 C ATOM 454 O TYR A 31 12.573 -8.481 0.589 1.00 0.00 O ATOM 455 CB TYR A 31 13.169 -5.803 0.629 1.00 0.00 C ATOM 456 CG TYR A 31 13.215 -4.316 0.899 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.138 -3.399 -0.141 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.336 -3.829 2.194 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.181 -2.039 0.100 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.378 -2.471 2.446 1.00 0.00 C ATOM 461 CZ TYR A 31 13.300 -1.580 1.396 1.00 0.00 C ATOM 462 OH TYR A 31 13.343 -0.227 1.642 1.00 0.00 O ATOM 0 H TYR A 31 10.431 -5.740 1.373 1.00 0.00 H new ATOM 0 HA TYR A 31 11.963 -6.097 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.283 -6.339 1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.018 -6.076 0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.043 -3.755 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.398 -4.524 3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.122 -1.340 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.471 -2.109 3.459 1.00 0.00 H new ATOM 0 HH TYR A 31 13.427 -0.072 2.606 1.00 0.00 H new ATOM 472 N PRO A 32 10.429 -8.219 -0.051 1.00 0.00 N ATOM 473 CA PRO A 32 10.064 -9.627 0.134 1.00 0.00 C ATOM 474 C PRO A 32 10.718 -10.536 -0.901 1.00 0.00 C ATOM 475 O PRO A 32 11.074 -10.095 -1.994 1.00 0.00 O ATOM 476 CB PRO A 32 8.544 -9.625 -0.040 1.00 0.00 C ATOM 477 CG PRO A 32 8.262 -8.436 -0.894 1.00 0.00 C ATOM 478 CD PRO A 32 9.296 -7.408 -0.526 1.00 0.00 C ATOM 0 HA PRO A 32 10.396 -10.011 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.199 -10.544 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.036 -9.552 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.325 -8.691 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.255 -8.058 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.573 -6.793 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.933 -6.732 0.248 1.00 0.00 H new ATOM 486 N LYS A 33 10.873 -11.808 -0.550 1.00 0.00 N ATOM 487 CA LYS A 33 11.483 -12.781 -1.448 1.00 0.00 C ATOM 488 C LYS A 33 10.418 -13.521 -2.252 1.00 0.00 C ATOM 489 O LYS A 33 9.225 -13.414 -1.966 1.00 0.00 O ATOM 490 CB LYS A 33 12.325 -13.782 -0.654 1.00 0.00 C ATOM 491 CG LYS A 33 13.409 -13.132 0.188 1.00 0.00 C ATOM 492 CD LYS A 33 14.547 -14.098 0.474 1.00 0.00 C ATOM 493 CE LYS A 33 15.355 -13.663 1.687 1.00 0.00 C ATOM 494 NZ LYS A 33 15.959 -14.825 2.397 1.00 0.00 N ATOM 0 H LYS A 33 10.584 -12.189 0.351 1.00 0.00 H new ATOM 0 HA LYS A 33 12.129 -12.243 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.669 -14.360 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.787 -14.485 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.797 -12.255 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.981 -12.784 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.144 -15.097 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.200 -14.161 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.144 -12.980 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.712 -13.112 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.501 -14.487 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.205 -15.464 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.593 -15.336 1.750 1.00 0.00 H new ATOM 508 N ASP A 34 10.857 -14.272 -3.256 1.00 0.00 N ATOM 509 CA ASP A 34 9.941 -15.032 -4.099 1.00 0.00 C ATOM 510 C ASP A 34 8.869 -15.717 -3.257 1.00 0.00 C ATOM 511 O ASP A 34 7.675 -15.574 -3.520 1.00 0.00 O ATOM 512 CB ASP A 34 10.710 -16.074 -4.914 1.00 0.00 C ATOM 513 CG ASP A 34 9.838 -16.761 -5.945 1.00 0.00 C ATOM 514 OD1 ASP A 34 8.762 -17.270 -5.567 1.00 0.00 O ATOM 515 OD2 ASP A 34 10.231 -16.791 -7.130 1.00 0.00 O ATOM 0 H ASP A 34 11.841 -14.371 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 34 9.452 -14.336 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.549 -15.592 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.128 -16.822 -4.240 1.00 0.00 H new ATOM 520 N ASP A 35 9.303 -16.461 -2.246 1.00 0.00 N ATOM 521 CA ASP A 35 8.381 -17.168 -1.366 1.00 0.00 C ATOM 522 C ASP A 35 7.287 -16.233 -0.860 1.00 0.00 C ATOM 523 O ASP A 35 6.105 -16.572 -0.890 1.00 0.00 O ATOM 524 CB ASP A 35 9.136 -17.776 -0.183 1.00 0.00 C ATOM 525 CG ASP A 35 8.464 -19.026 0.352 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.631 -20.099 -0.264 1.00 0.00 O ATOM 527 OD2 ASP A 35 7.773 -18.930 1.388 1.00 0.00 O ATOM 0 H ASP A 35 10.288 -16.590 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 35 7.913 -17.969 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.154 -18.017 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.211 -17.037 0.615 1.00 0.00 H new ATOM 532 N GLU A 36 7.691 -15.055 -0.395 1.00 0.00 N ATOM 533 CA GLU A 36 6.745 -14.071 0.119 1.00 0.00 C ATOM 534 C GLU A 36 5.798 -13.601 -0.981 1.00 0.00 C ATOM 535 O GLU A 36 4.578 -13.619 -0.815 1.00 0.00 O ATOM 536 CB GLU A 36 7.491 -12.874 0.711 1.00 0.00 C ATOM 537 CG GLU A 36 8.306 -13.215 1.947 1.00 0.00 C ATOM 538 CD GLU A 36 7.455 -13.306 3.199 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.635 -14.242 3.293 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.611 -12.440 4.086 1.00 0.00 O ATOM 0 H GLU A 36 8.667 -14.759 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 36 6.156 -14.546 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.154 -12.459 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.770 -12.097 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.818 -14.165 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.077 -12.458 2.090 1.00 0.00 H new ATOM 547 N PHE A 37 6.368 -13.181 -2.106 1.00 0.00 N ATOM 548 CA PHE A 37 5.576 -12.705 -3.233 1.00 0.00 C ATOM 549 C PHE A 37 4.454 -13.685 -3.563 1.00 0.00 C ATOM 550 O PHE A 37 3.363 -13.283 -3.964 1.00 0.00 O ATOM 551 CB PHE A 37 6.467 -12.501 -4.460 1.00 0.00 C ATOM 552 CG PHE A 37 7.052 -11.120 -4.553 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.369 -10.107 -5.208 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.283 -10.835 -3.986 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.906 -8.837 -5.296 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.824 -9.566 -4.070 1.00 0.00 C ATOM 557 CZ PHE A 37 8.134 -8.565 -4.725 1.00 0.00 C ATOM 0 H PHE A 37 7.376 -13.161 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 37 5.130 -11.751 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.277 -13.229 -4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.885 -12.702 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.407 -10.313 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.827 -11.614 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.366 -8.057 -5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.785 -9.357 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.553 -7.572 -4.791 1.00 0.00 H new ATOM 567 N GLU A 38 4.733 -14.974 -3.390 1.00 0.00 N ATOM 568 CA GLU A 38 3.748 -16.012 -3.671 1.00 0.00 C ATOM 569 C GLU A 38 2.505 -15.831 -2.803 1.00 0.00 C ATOM 570 O GLU A 38 1.380 -16.007 -3.270 1.00 0.00 O ATOM 571 CB GLU A 38 4.352 -17.397 -3.433 1.00 0.00 C ATOM 572 CG GLU A 38 5.402 -17.787 -4.460 1.00 0.00 C ATOM 573 CD GLU A 38 5.837 -19.234 -4.328 1.00 0.00 C ATOM 574 OE1 GLU A 38 6.410 -19.589 -3.277 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.604 -20.011 -5.278 1.00 0.00 O ATOM 0 H GLU A 38 5.632 -15.323 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 38 3.456 -15.926 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.800 -17.423 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.554 -18.139 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.005 -17.621 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.271 -17.139 -4.350 1.00 0.00 H new ATOM 582 N GLN A 39 2.719 -15.480 -1.539 1.00 0.00 N ATOM 583 CA GLN A 39 1.617 -15.277 -0.607 1.00 0.00 C ATOM 584 C GLN A 39 0.610 -14.276 -1.163 1.00 0.00 C ATOM 585 O GLN A 39 -0.598 -14.517 -1.141 1.00 0.00 O ATOM 586 CB GLN A 39 2.146 -14.789 0.743 1.00 0.00 C ATOM 587 CG GLN A 39 3.149 -15.736 1.382 1.00 0.00 C ATOM 588 CD GLN A 39 2.483 -16.877 2.125 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.307 -17.172 1.908 1.00 0.00 O ATOM 590 NE2 GLN A 39 3.232 -17.527 3.007 1.00 0.00 N ATOM 0 H GLN A 39 3.645 -15.331 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 39 1.112 -16.233 -0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.614 -13.814 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.306 -14.649 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.802 -16.143 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.781 -15.178 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.202 -17.249 3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.837 -18.304 3.536 1.00 0.00 H new ATOM 599 N LEU A 40 1.114 -13.153 -1.662 1.00 0.00 N ATOM 600 CA LEU A 40 0.258 -12.114 -2.225 1.00 0.00 C ATOM 601 C LEU A 40 -0.267 -12.525 -3.597 1.00 0.00 C ATOM 602 O LEU A 40 -1.431 -12.293 -3.923 1.00 0.00 O ATOM 603 CB LEU A 40 1.026 -10.796 -2.334 1.00 0.00 C ATOM 604 CG LEU A 40 1.539 -10.207 -1.019 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.818 -9.419 -1.249 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.475 -9.327 -0.378 1.00 0.00 C ATOM 0 H LEU A 40 2.111 -12.938 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.592 -11.977 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.877 -10.949 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.379 -10.060 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 40 1.762 -11.028 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.167 -9.008 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.582 -10.078 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.623 -8.606 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.857 -8.916 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.221 -8.512 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.416 -9.922 -0.176 1.00 0.00 H new ATOM 618 N SER A 41 0.600 -13.138 -4.397 1.00 0.00 N ATOM 619 CA SER A 41 0.225 -13.580 -5.735 1.00 0.00 C ATOM 620 C SER A 41 -0.911 -14.597 -5.673 1.00 0.00 C ATOM 621 O SER A 41 -1.741 -14.673 -6.577 1.00 0.00 O ATOM 622 CB SER A 41 1.432 -14.189 -6.451 1.00 0.00 C ATOM 623 OG SER A 41 1.554 -15.570 -6.158 1.00 0.00 O ATOM 0 H SER A 41 1.567 -13.340 -4.142 1.00 0.00 H new ATOM 0 HA SER A 41 -0.120 -12.710 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.329 -14.050 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.340 -13.668 -6.148 1.00 0.00 H new ATOM 0 HG SER A 41 1.480 -15.707 -5.190 1.00 0.00 H new ATOM 629 N ASN A 42 -0.939 -15.377 -4.597 1.00 0.00 N ATOM 630 CA ASN A 42 -1.972 -16.391 -4.415 1.00 0.00 C ATOM 631 C ASN A 42 -3.246 -15.773 -3.846 1.00 0.00 C ATOM 632 O ASN A 42 -4.354 -16.214 -4.155 1.00 0.00 O ATOM 633 CB ASN A 42 -1.471 -17.499 -3.487 1.00 0.00 C ATOM 634 CG ASN A 42 -0.659 -18.547 -4.224 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.191 -19.298 -5.042 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.636 -18.602 -3.937 1.00 0.00 N ATOM 0 H ASN A 42 -0.259 -15.327 -3.838 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.201 -16.820 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.861 -17.060 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.323 -17.977 -3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.233 -19.287 -4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.034 -17.960 -3.252 1.00 0.00 H new ATOM 643 N LEU A 43 -3.081 -14.751 -3.015 1.00 0.00 N ATOM 644 CA LEU A 43 -4.217 -14.071 -2.402 1.00 0.00 C ATOM 645 C LEU A 43 -4.973 -13.238 -3.432 1.00 0.00 C ATOM 646 O LEU A 43 -6.166 -13.444 -3.659 1.00 0.00 O ATOM 647 CB LEU A 43 -3.745 -13.178 -1.254 1.00 0.00 C ATOM 648 CG LEU A 43 -4.730 -12.106 -0.788 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.015 -12.744 -0.286 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.104 -11.240 0.295 1.00 0.00 C ATOM 0 H LEU A 43 -2.171 -14.374 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.893 -14.830 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.501 -13.814 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.821 -12.686 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.973 -11.469 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.704 -11.965 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.474 -13.320 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.790 -13.405 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.820 -10.483 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.831 -11.863 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.212 -10.753 -0.099 1.00 0.00 H new ATOM 662 N LEU A 44 -4.271 -12.298 -4.055 1.00 0.00 N ATOM 663 CA LEU A 44 -4.875 -11.434 -5.064 1.00 0.00 C ATOM 664 C LEU A 44 -5.067 -12.183 -6.378 1.00 0.00 C ATOM 665 O LEU A 44 -5.698 -11.678 -7.305 1.00 0.00 O ATOM 666 CB LEU A 44 -4.005 -10.197 -5.291 1.00 0.00 C ATOM 667 CG LEU A 44 -3.563 -9.446 -4.034 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.511 -8.403 -4.377 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.759 -8.796 -3.354 1.00 0.00 C ATOM 0 H LEU A 44 -3.283 -12.114 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.853 -11.121 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.114 -10.500 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.553 -9.504 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.121 -10.163 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.209 -7.879 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.643 -8.893 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.925 -7.688 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.426 -8.266 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.229 -8.092 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.479 -9.564 -3.072 1.00 0.00 H new ATOM 681 N ASN A 45 -4.519 -13.392 -6.449 1.00 0.00 N ATOM 682 CA ASN A 45 -4.632 -14.213 -7.650 1.00 0.00 C ATOM 683 C ASN A 45 -3.970 -13.527 -8.841 1.00 0.00 C ATOM 684 O ASN A 45 -4.417 -13.668 -9.980 1.00 0.00 O ATOM 685 CB ASN A 45 -6.102 -14.497 -7.963 1.00 0.00 C ATOM 686 CG ASN A 45 -6.722 -15.478 -6.987 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.598 -15.324 -5.772 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.395 -16.493 -7.516 1.00 0.00 N ATOM 0 H ASN A 45 -3.993 -13.825 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.119 -15.157 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.663 -13.562 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.185 -14.894 -8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.835 -17.185 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.472 -16.581 -8.529 1.00 0.00 H new ATOM 695 N LEU A 46 -2.902 -12.784 -8.571 1.00 0.00 N ATOM 696 CA LEU A 46 -2.177 -12.077 -9.620 1.00 0.00 C ATOM 697 C LEU A 46 -0.772 -12.645 -9.790 1.00 0.00 C ATOM 698 O LEU A 46 -0.182 -13.197 -8.860 1.00 0.00 O ATOM 699 CB LEU A 46 -2.100 -10.584 -9.296 1.00 0.00 C ATOM 700 CG LEU A 46 -3.438 -9.853 -9.175 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.237 -8.468 -8.580 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.119 -9.759 -10.532 1.00 0.00 C ATOM 0 H LEU A 46 -2.519 -12.656 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.719 -12.212 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.557 -10.464 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.510 -10.094 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.083 -10.423 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.200 -7.963 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.793 -8.559 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.574 -7.889 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.069 -9.236 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.478 -9.212 -11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.298 -10.762 -10.920 1.00 0.00 H new ATOM 714 N PRO A 47 -0.219 -12.507 -11.004 1.00 0.00 N ATOM 715 CA PRO A 47 1.125 -12.998 -11.323 1.00 0.00 C ATOM 716 C PRO A 47 2.216 -12.192 -10.627 1.00 0.00 C ATOM 717 O PRO A 47 2.229 -10.962 -10.687 1.00 0.00 O ATOM 718 CB PRO A 47 1.215 -12.822 -12.841 1.00 0.00 C ATOM 719 CG PRO A 47 0.256 -11.726 -13.153 1.00 0.00 C ATOM 720 CD PRO A 47 -0.864 -11.860 -12.159 1.00 0.00 C ATOM 0 HA PRO A 47 1.274 -14.025 -10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.227 -12.562 -13.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.949 -13.741 -13.363 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.737 -10.751 -13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.116 -11.812 -14.174 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.284 -10.890 -11.893 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.681 -12.464 -12.553 1.00 0.00 H new ATOM 728 N THR A 48 3.133 -12.893 -9.967 1.00 0.00 N ATOM 729 CA THR A 48 4.228 -12.243 -9.259 1.00 0.00 C ATOM 730 C THR A 48 4.853 -11.141 -10.106 1.00 0.00 C ATOM 731 O THR A 48 5.180 -10.067 -9.601 1.00 0.00 O ATOM 732 CB THR A 48 5.321 -13.255 -8.865 1.00 0.00 C ATOM 733 OG1 THR A 48 5.455 -14.252 -9.884 1.00 0.00 O ATOM 734 CG2 THR A 48 4.991 -13.919 -7.537 1.00 0.00 C ATOM 0 H THR A 48 3.139 -13.911 -9.908 1.00 0.00 H new ATOM 0 HA THR A 48 3.805 -11.806 -8.355 1.00 0.00 H new ATOM 0 HB THR A 48 6.263 -12.717 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.153 -14.891 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.777 -14.629 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.919 -13.160 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.040 -14.445 -7.620 1.00 0.00 H new ATOM 742 N ARG A 49 5.016 -11.413 -11.397 1.00 0.00 N ATOM 743 CA ARG A 49 5.602 -10.444 -12.314 1.00 0.00 C ATOM 744 C ARG A 49 4.894 -9.096 -12.207 1.00 0.00 C ATOM 745 O ARG A 49 5.521 -8.043 -12.319 1.00 0.00 O ATOM 746 CB ARG A 49 5.525 -10.959 -13.752 1.00 0.00 C ATOM 747 CG ARG A 49 4.168 -10.747 -14.403 1.00 0.00 C ATOM 748 CD ARG A 49 4.096 -9.407 -15.117 1.00 0.00 C ATOM 749 NE ARG A 49 2.981 -9.346 -16.058 1.00 0.00 N ATOM 750 CZ ARG A 49 2.904 -10.090 -17.156 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.873 -10.946 -17.449 1.00 0.00 N ATOM 752 NH2 ARG A 49 1.856 -9.979 -17.962 1.00 0.00 N ATOM 0 H ARG A 49 4.750 -12.297 -11.831 1.00 0.00 H new ATOM 0 HA ARG A 49 6.648 -10.309 -12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.287 -10.459 -14.349 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.761 -12.023 -13.761 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.975 -11.550 -15.114 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.387 -10.799 -13.644 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.993 -8.610 -14.381 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.030 -9.230 -15.650 1.00 0.00 H new ATOM 0 HE ARG A 49 2.219 -8.697 -15.861 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.680 -11.034 -16.831 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.812 -11.516 -18.292 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.108 -9.322 -17.739 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.798 -10.551 -18.805 1.00 0.00 H new ATOM 766 N VAL A 50 3.583 -9.138 -11.989 1.00 0.00 N ATOM 767 CA VAL A 50 2.790 -7.921 -11.866 1.00 0.00 C ATOM 768 C VAL A 50 3.005 -7.259 -10.510 1.00 0.00 C ATOM 769 O VAL A 50 3.064 -6.034 -10.408 1.00 0.00 O ATOM 770 CB VAL A 50 1.288 -8.210 -12.051 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.452 -7.074 -11.482 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.967 -8.434 -13.521 1.00 0.00 C ATOM 0 H VAL A 50 3.048 -10.001 -11.894 1.00 0.00 H new ATOM 0 HA VAL A 50 3.123 -7.245 -12.654 1.00 0.00 H new ATOM 0 HB VAL A 50 1.040 -9.120 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.606 -7.296 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.663 -6.965 -10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.700 -6.146 -11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.098 -8.637 -13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.229 -7.542 -14.091 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.540 -9.284 -13.893 1.00 0.00 H new ATOM 782 N ILE A 51 3.122 -8.078 -9.470 1.00 0.00 N ATOM 783 CA ILE A 51 3.333 -7.572 -8.119 1.00 0.00 C ATOM 784 C ILE A 51 4.744 -7.018 -7.954 1.00 0.00 C ATOM 785 O ILE A 51 4.972 -6.096 -7.171 1.00 0.00 O ATOM 786 CB ILE A 51 3.096 -8.668 -7.064 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.786 -9.406 -7.348 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.078 -8.064 -5.668 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.626 -10.681 -6.550 1.00 0.00 C ATOM 0 H ILE A 51 3.074 -9.095 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 51 2.611 -6.770 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 51 3.914 -9.386 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.950 -8.742 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.735 -9.643 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.909 -8.851 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.034 -7.580 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.277 -7.327 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.675 -11.151 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.442 -11.363 -6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.645 -10.449 -5.485 1.00 0.00 H new ATOM 801 N VAL A 52 5.688 -7.586 -8.697 1.00 0.00 N ATOM 802 CA VAL A 52 7.077 -7.148 -8.636 1.00 0.00 C ATOM 803 C VAL A 52 7.234 -5.739 -9.197 1.00 0.00 C ATOM 804 O VAL A 52 7.767 -4.850 -8.532 1.00 0.00 O ATOM 805 CB VAL A 52 8.002 -8.104 -9.412 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.427 -7.573 -9.427 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.951 -9.500 -8.810 1.00 0.00 C ATOM 0 H VAL A 52 5.516 -8.351 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 52 7.364 -7.151 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 52 7.651 -8.164 -10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.066 -8.262 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.446 -6.595 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.792 -7.481 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.611 -10.162 -9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.276 -9.460 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.930 -9.879 -8.857 1.00 0.00 H new ATOM 817 N VAL A 53 6.766 -5.542 -10.425 1.00 0.00 N ATOM 818 CA VAL A 53 6.853 -4.240 -11.077 1.00 0.00 C ATOM 819 C VAL A 53 6.220 -3.152 -10.217 1.00 0.00 C ATOM 820 O VAL A 53 6.725 -2.032 -10.145 1.00 0.00 O ATOM 821 CB VAL A 53 6.165 -4.255 -12.455 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.289 -2.897 -13.128 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.753 -5.350 -13.332 1.00 0.00 C ATOM 0 H VAL A 53 6.323 -6.267 -10.989 1.00 0.00 H new ATOM 0 HA VAL A 53 7.913 -4.023 -11.211 1.00 0.00 H new ATOM 0 HB VAL A 53 5.106 -4.467 -12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.797 -2.927 -14.100 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.816 -2.138 -12.505 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.343 -2.652 -13.262 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.255 -5.346 -14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.819 -5.172 -13.471 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.606 -6.318 -12.853 1.00 0.00 H new ATOM 833 N TRP A 54 5.113 -3.490 -9.566 1.00 0.00 N ATOM 834 CA TRP A 54 4.410 -2.541 -8.709 1.00 0.00 C ATOM 835 C TRP A 54 5.233 -2.216 -7.468 1.00 0.00 C ATOM 836 O TRP A 54 5.347 -1.055 -7.073 1.00 0.00 O ATOM 837 CB TRP A 54 3.048 -3.103 -8.300 1.00 0.00 C ATOM 838 CG TRP A 54 2.212 -2.130 -7.526 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.172 -1.383 -8.001 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.346 -1.797 -6.140 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.652 -0.606 -6.994 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.354 -0.842 -5.842 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.207 -2.215 -5.121 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.203 -0.299 -4.569 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.055 -1.675 -3.858 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.059 -0.726 -3.591 1.00 0.00 C ATOM 0 H TRP A 54 4.683 -4.413 -9.615 1.00 0.00 H new ATOM 0 HA TRP A 54 4.260 -1.621 -9.274 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.505 -3.406 -9.195 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.199 -4.000 -7.699 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.811 -1.400 -9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.130 0.042 -7.089 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.977 -2.947 -5.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.437 0.433 -4.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.715 -1.990 -3.063 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.965 -0.324 -2.593 1.00 0.00 H new ATOM 857 N PHE A 55 5.805 -3.248 -6.855 1.00 0.00 N ATOM 858 CA PHE A 55 6.618 -3.071 -5.657 1.00 0.00 C ATOM 859 C PHE A 55 7.899 -2.306 -5.977 1.00 0.00 C ATOM 860 O PHE A 55 8.340 -1.462 -5.197 1.00 0.00 O ATOM 861 CB PHE A 55 6.961 -4.430 -5.043 1.00 0.00 C ATOM 862 CG PHE A 55 5.960 -4.898 -4.026 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.637 -5.103 -4.380 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.343 -5.131 -2.715 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.713 -5.534 -3.446 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.424 -5.563 -1.777 1.00 0.00 C ATOM 867 CZ PHE A 55 4.107 -5.763 -2.143 1.00 0.00 C ATOM 0 H PHE A 55 5.720 -4.215 -7.168 1.00 0.00 H new ATOM 0 HA PHE A 55 6.040 -2.491 -4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.032 -5.172 -5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.943 -4.370 -4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.323 -4.924 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.371 -4.973 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.684 -5.691 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.735 -5.744 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.387 -6.098 -1.411 1.00 0.00 H new ATOM 877 N GLN A 56 8.490 -2.609 -7.128 1.00 0.00 N ATOM 878 CA GLN A 56 9.721 -1.951 -7.550 1.00 0.00 C ATOM 879 C GLN A 56 9.527 -0.442 -7.646 1.00 0.00 C ATOM 880 O GLN A 56 10.244 0.328 -7.008 1.00 0.00 O ATOM 881 CB GLN A 56 10.183 -2.504 -8.900 1.00 0.00 C ATOM 882 CG GLN A 56 10.854 -3.865 -8.802 1.00 0.00 C ATOM 883 CD GLN A 56 11.854 -4.103 -9.916 1.00 0.00 C ATOM 884 OE1 GLN A 56 11.587 -5.103 -10.748 1.00 0.00 O flip ATOM 885 NE2 GLN A 56 12.857 -3.398 -10.026 1.00 0.00 N flip ATOM 0 H GLN A 56 8.137 -3.305 -7.785 1.00 0.00 H new ATOM 0 HA GLN A 56 10.486 -2.154 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.323 -2.579 -9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.878 -1.797 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.360 -3.948 -7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.092 -4.644 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.023 -2.640 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.522 -3.572 -10.779 1.00 0.00 H new ATOM 894 N ASN A 57 8.552 -0.025 -8.447 1.00 0.00 N ATOM 895 CA ASN A 57 8.264 1.393 -8.627 1.00 0.00 C ATOM 896 C ASN A 57 7.923 2.052 -7.294 1.00 0.00 C ATOM 897 O ASN A 57 8.459 3.108 -6.957 1.00 0.00 O ATOM 898 CB ASN A 57 7.107 1.580 -9.611 1.00 0.00 C ATOM 899 CG ASN A 57 7.534 1.369 -11.051 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.150 2.243 -11.662 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.207 0.205 -11.601 1.00 0.00 N ATOM 0 H ASN A 57 7.948 -0.649 -8.982 1.00 0.00 H new ATOM 0 HA ASN A 57 9.157 1.870 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.308 0.881 -9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.697 2.584 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.467 0.007 -12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.696 -0.490 -11.057 1.00 0.00 H new ATOM 908 N ALA A 58 7.028 1.422 -6.540 1.00 0.00 N ATOM 909 CA ALA A 58 6.618 1.945 -5.243 1.00 0.00 C ATOM 910 C ALA A 58 7.823 2.400 -4.428 1.00 0.00 C ATOM 911 O ALA A 58 7.767 3.413 -3.730 1.00 0.00 O ATOM 912 CB ALA A 58 5.826 0.896 -4.477 1.00 0.00 C ATOM 0 H ALA A 58 6.573 0.549 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 58 5.980 2.812 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.526 1.301 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.938 0.623 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.445 0.012 -4.324 1.00 0.00 H new ATOM 918 N ARG A 59 8.913 1.644 -4.520 1.00 0.00 N ATOM 919 CA ARG A 59 10.132 1.969 -3.788 1.00 0.00 C ATOM 920 C ARG A 59 10.810 3.200 -4.382 1.00 0.00 C ATOM 921 O ARG A 59 11.277 4.074 -3.653 1.00 0.00 O ATOM 922 CB ARG A 59 11.096 0.781 -3.810 1.00 0.00 C ATOM 923 CG ARG A 59 10.613 -0.411 -3.000 1.00 0.00 C ATOM 924 CD ARG A 59 11.699 -1.465 -2.857 1.00 0.00 C ATOM 925 NE ARG A 59 11.868 -2.246 -4.080 1.00 0.00 N ATOM 926 CZ ARG A 59 12.636 -1.867 -5.094 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.304 -0.724 -5.033 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.738 -2.633 -6.173 1.00 0.00 N ATOM 0 H ARG A 59 8.977 0.803 -5.094 1.00 0.00 H new ATOM 0 HA ARG A 59 9.860 2.188 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.251 0.469 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.064 1.102 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.297 -0.077 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.740 -0.850 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.642 -0.982 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.450 -2.133 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 59 11.368 -3.132 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.229 -0.133 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.893 -0.435 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.226 -3.514 -6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.328 -2.341 -6.952 1.00 0.00 H new