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=-0.00271 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.98! C(o=-5!,f=-5.3!) USER MOD Single : A 23 GLN : amide:sc= -0.837 K(o=-0.84,f=-0.2) USER MOD Single : A 29 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.0022) 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= -1.77 K(o=-1.8,f=-4.8!) USER MOD Single : A 41 SER OG : rot -51:sc= 0.655 USER MOD Single : A 42 ASN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 57 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.280 -2.241 -10.858 1.00 0.00 N ATOM 175 CA PHE A 14 -5.708 -2.958 -9.662 1.00 0.00 C ATOM 176 C PHE A 14 -6.851 -2.223 -8.968 1.00 0.00 C ATOM 177 O PHE A 14 -7.069 -1.032 -9.196 1.00 0.00 O ATOM 178 CB PHE A 14 -4.534 -3.127 -8.696 1.00 0.00 C ATOM 179 CG PHE A 14 -3.253 -3.524 -9.372 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.470 -2.577 -10.012 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.832 -4.844 -9.368 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.291 -2.939 -10.635 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.654 -5.211 -9.989 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.882 -4.258 -10.624 1.00 0.00 C ATOM 0 HA PHE A 14 -6.064 -3.942 -9.966 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.377 -2.191 -8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.792 -3.881 -7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.785 -1.544 -10.024 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.431 -5.594 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.690 -2.191 -11.130 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.337 -6.243 -9.978 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.039 -4.543 -11.111 1.00 0.00 H new ATOM 194 N THR A 15 -7.580 -2.942 -8.120 1.00 0.00 N ATOM 195 CA THR A 15 -8.702 -2.360 -7.394 1.00 0.00 C ATOM 196 C THR A 15 -8.382 -2.218 -5.910 1.00 0.00 C ATOM 197 O THR A 15 -7.543 -2.942 -5.374 1.00 0.00 O ATOM 198 CB THR A 15 -9.976 -3.212 -7.553 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.087 -2.551 -6.936 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.789 -4.587 -6.931 1.00 0.00 C ATOM 0 H THR A 15 -7.413 -3.928 -7.919 1.00 0.00 H new ATOM 0 HA THR A 15 -8.878 -1.373 -7.821 1.00 0.00 H new ATOM 0 HB THR A 15 -10.173 -3.336 -8.618 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.893 -3.098 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.702 -5.170 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.961 -5.099 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.570 -4.479 -5.869 1.00 0.00 H new ATOM 208 N ASP A 16 -9.055 -1.280 -5.252 1.00 0.00 N ATOM 209 CA ASP A 16 -8.843 -1.044 -3.829 1.00 0.00 C ATOM 210 C ASP A 16 -8.526 -2.348 -3.103 1.00 0.00 C ATOM 211 O ASP A 16 -7.582 -2.418 -2.315 1.00 0.00 O ATOM 212 CB ASP A 16 -10.078 -0.388 -3.209 1.00 0.00 C ATOM 213 CG ASP A 16 -10.667 0.692 -4.096 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.124 1.817 -4.101 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.668 0.411 -4.787 1.00 0.00 O ATOM 0 H ASP A 16 -9.752 -0.671 -5.681 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.991 -0.372 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.834 -1.150 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.811 0.044 -2.244 1.00 0.00 H new ATOM 220 N TYR A 17 -9.321 -3.377 -3.372 1.00 0.00 N ATOM 221 CA TYR A 17 -9.127 -4.678 -2.742 1.00 0.00 C ATOM 222 C TYR A 17 -7.698 -5.172 -2.941 1.00 0.00 C ATOM 223 O TYR A 17 -7.058 -5.647 -2.003 1.00 0.00 O ATOM 224 CB TYR A 17 -10.115 -5.697 -3.313 1.00 0.00 C ATOM 225 CG TYR A 17 -9.637 -7.127 -3.208 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.103 -7.617 -2.023 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.719 -7.989 -4.295 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.665 -8.923 -1.922 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.285 -9.298 -4.203 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.758 -9.760 -3.015 1.00 0.00 C ATOM 231 OH TYR A 17 -8.323 -11.062 -2.920 1.00 0.00 O ATOM 0 H TYR A 17 -10.106 -3.336 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.308 -4.566 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.066 -5.601 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.303 -5.461 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.029 -6.965 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.129 -7.630 -5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.252 -9.287 -0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.358 -9.956 -5.057 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.460 -11.516 -3.778 1.00 0.00 H new ATOM 241 N GLN A 18 -7.203 -5.055 -4.169 1.00 0.00 N ATOM 242 CA GLN A 18 -5.850 -5.490 -4.492 1.00 0.00 C ATOM 243 C GLN A 18 -4.820 -4.481 -3.993 1.00 0.00 C ATOM 244 O GLN A 18 -3.856 -4.844 -3.318 1.00 0.00 O ATOM 245 CB GLN A 18 -5.700 -5.684 -6.002 1.00 0.00 C ATOM 246 CG GLN A 18 -6.691 -6.677 -6.589 1.00 0.00 C ATOM 247 CD GLN A 18 -6.142 -7.402 -7.802 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.626 -6.779 -8.730 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.251 -8.725 -7.800 1.00 0.00 N ATOM 0 H GLN A 18 -7.719 -4.662 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.673 -6.442 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.826 -4.722 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.687 -6.024 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.963 -7.407 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.604 -6.151 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.686 -9.200 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.900 -9.267 -8.589 1.00 0.00 H new ATOM 258 N LEU A 19 -5.031 -3.213 -4.330 1.00 0.00 N ATOM 259 CA LEU A 19 -4.121 -2.151 -3.916 1.00 0.00 C ATOM 260 C LEU A 19 -3.968 -2.125 -2.399 1.00 0.00 C ATOM 261 O LEU A 19 -2.930 -1.719 -1.876 1.00 0.00 O ATOM 262 CB LEU A 19 -4.628 -0.796 -4.413 1.00 0.00 C ATOM 263 CG LEU A 19 -4.479 -0.531 -5.911 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.058 0.828 -6.273 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.018 -0.619 -6.326 1.00 0.00 C ATOM 0 H LEU A 19 -5.824 -2.896 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.144 -2.351 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.683 -0.708 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.099 -0.012 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.036 -1.296 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.943 0.999 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.116 0.854 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.530 1.607 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.931 -0.428 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.438 0.123 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.636 -1.615 -6.104 1.00 0.00 H new ATOM 277 N ARG A 20 -5.008 -2.562 -1.697 1.00 0.00 N ATOM 278 CA ARG A 20 -4.989 -2.590 -0.240 1.00 0.00 C ATOM 279 C ARG A 20 -3.937 -3.569 0.272 1.00 0.00 C ATOM 280 O ARG A 20 -3.118 -3.227 1.126 1.00 0.00 O ATOM 281 CB ARG A 20 -6.367 -2.976 0.302 1.00 0.00 C ATOM 282 CG ARG A 20 -6.492 -2.827 1.810 1.00 0.00 C ATOM 283 CD ARG A 20 -6.060 -4.094 2.532 1.00 0.00 C ATOM 284 NE ARG A 20 -7.172 -5.022 2.723 1.00 0.00 N ATOM 285 CZ ARG A 20 -8.024 -4.948 3.739 1.00 0.00 C ATOM 286 NH1 ARG A 20 -7.893 -3.995 4.652 1.00 0.00 N ATOM 287 NH2 ARG A 20 -9.011 -5.829 3.844 1.00 0.00 N ATOM 0 H ARG A 20 -5.875 -2.902 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.733 -1.591 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.124 -2.357 -0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.579 -4.010 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.881 -1.989 2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.524 -2.593 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.272 -4.585 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.636 -3.832 3.501 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.301 -5.767 2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.136 -3.316 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.549 -3.941 5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.116 -6.564 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.665 -5.772 4.625 1.00 0.00 H new ATOM 301 N VAL A 21 -3.965 -4.789 -0.255 1.00 0.00 N ATOM 302 CA VAL A 21 -3.013 -5.818 0.147 1.00 0.00 C ATOM 303 C VAL A 21 -1.612 -5.499 -0.361 1.00 0.00 C ATOM 304 O VAL A 21 -0.626 -5.661 0.360 1.00 0.00 O ATOM 305 CB VAL A 21 -3.433 -7.205 -0.374 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.436 -8.266 0.067 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.836 -7.550 0.102 1.00 0.00 C ATOM 0 H VAL A 21 -4.637 -5.089 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.006 -5.834 1.237 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.440 -7.178 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.750 -9.239 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.449 -8.024 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.394 -8.296 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.117 -8.533 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.858 -7.560 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.540 -6.805 -0.269 1.00 0.00 H new ATOM 317 N LEU A 22 -1.529 -5.045 -1.606 1.00 0.00 N ATOM 318 CA LEU A 22 -0.247 -4.702 -2.212 1.00 0.00 C ATOM 319 C LEU A 22 0.426 -3.561 -1.455 1.00 0.00 C ATOM 320 O LEU A 22 1.618 -3.621 -1.156 1.00 0.00 O ATOM 321 CB LEU A 22 -0.442 -4.310 -3.678 1.00 0.00 C ATOM 322 CG LEU A 22 -0.932 -5.419 -4.610 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.398 -4.836 -5.935 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.166 -6.449 -4.835 1.00 0.00 C ATOM 0 H LEU A 22 -2.334 -4.906 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 22 0.398 -5.579 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.154 -3.486 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.506 -3.933 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.779 -5.917 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.743 -5.640 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.215 -4.137 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.570 -4.313 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.200 -7.231 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.032 -5.965 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.453 -6.890 -3.880 1.00 0.00 H new ATOM 336 N GLN A 23 -0.348 -2.526 -1.145 1.00 0.00 N ATOM 337 CA GLN A 23 0.174 -1.373 -0.421 1.00 0.00 C ATOM 338 C GLN A 23 0.426 -1.718 1.043 1.00 0.00 C ATOM 339 O GLN A 23 1.415 -1.283 1.632 1.00 0.00 O ATOM 340 CB GLN A 23 -0.801 -0.198 -0.520 1.00 0.00 C ATOM 341 CG GLN A 23 -0.206 1.126 -0.071 1.00 0.00 C ATOM 342 CD GLN A 23 0.656 1.770 -1.138 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.188 2.609 -1.909 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.925 1.381 -1.190 1.00 0.00 N ATOM 0 H GLN A 23 -1.338 -2.462 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 23 1.122 -1.088 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.139 -0.103 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.681 -0.415 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.011 1.808 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.392 0.966 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.272 0.683 -0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.553 1.780 -1.888 1.00 0.00 H new ATOM 353 N ASP A 24 -0.475 -2.503 1.624 1.00 0.00 N ATOM 354 CA ASP A 24 -0.351 -2.907 3.020 1.00 0.00 C ATOM 355 C ASP A 24 0.934 -3.700 3.243 1.00 0.00 C ATOM 356 O ASP A 24 1.644 -3.488 4.226 1.00 0.00 O ATOM 357 CB ASP A 24 -1.560 -3.743 3.441 1.00 0.00 C ATOM 358 CG ASP A 24 -1.471 -4.206 4.881 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.887 -3.443 5.778 1.00 0.00 O ATOM 360 OD2 ASP A 24 -0.985 -5.333 5.113 1.00 0.00 O ATOM 0 H ASP A 24 -1.299 -2.872 1.150 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.312 -2.006 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.468 -3.156 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.643 -4.612 2.788 1.00 0.00 H new ATOM 365 N PHE A 25 1.225 -4.615 2.324 1.00 0.00 N ATOM 366 CA PHE A 25 2.422 -5.442 2.421 1.00 0.00 C ATOM 367 C PHE A 25 3.677 -4.616 2.149 1.00 0.00 C ATOM 368 O PHE A 25 4.754 -4.915 2.664 1.00 0.00 O ATOM 369 CB PHE A 25 2.343 -6.609 1.435 1.00 0.00 C ATOM 370 CG PHE A 25 3.389 -7.662 1.668 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.727 -7.392 1.431 1.00 0.00 C ATOM 372 CD2 PHE A 25 3.034 -8.922 2.123 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.692 -8.359 1.644 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.995 -9.892 2.339 1.00 0.00 C ATOM 375 CZ PHE A 25 5.325 -9.610 2.097 1.00 0.00 C ATOM 0 H PHE A 25 0.648 -4.802 1.504 1.00 0.00 H new ATOM 0 HA PHE A 25 2.480 -5.836 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.356 -7.067 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.445 -6.225 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.020 -6.415 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.995 -9.149 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.732 -8.136 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.706 -10.869 2.697 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.077 -10.367 2.262 1.00 0.00 H new ATOM 385 N PHE A 26 3.528 -3.576 1.335 1.00 0.00 N ATOM 386 CA PHE A 26 4.648 -2.708 0.992 1.00 0.00 C ATOM 387 C PHE A 26 5.024 -1.814 2.171 1.00 0.00 C ATOM 388 O PHE A 26 6.198 -1.692 2.521 1.00 0.00 O ATOM 389 CB PHE A 26 4.300 -1.847 -0.224 1.00 0.00 C ATOM 390 CG PHE A 26 5.367 -0.852 -0.579 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.449 0.363 0.083 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.290 -1.130 -1.575 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.429 1.281 -0.242 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.273 -0.216 -1.904 1.00 0.00 C ATOM 395 CZ PHE A 26 7.343 0.991 -1.236 1.00 0.00 C ATOM 0 H PHE A 26 2.643 -3.314 0.901 1.00 0.00 H new ATOM 0 HA PHE A 26 5.503 -3.339 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.121 -2.497 -1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.369 -1.315 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.738 0.595 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.240 -2.072 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.480 2.225 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.986 -0.445 -2.682 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.111 1.707 -1.490 1.00 0.00 H new ATOM 405 N ASP A 27 4.020 -1.192 2.777 1.00 0.00 N ATOM 406 CA ASP A 27 4.243 -0.310 3.917 1.00 0.00 C ATOM 407 C ASP A 27 5.055 -1.015 4.999 1.00 0.00 C ATOM 408 O ASP A 27 5.795 -0.378 5.748 1.00 0.00 O ATOM 409 CB ASP A 27 2.908 0.164 4.492 1.00 0.00 C ATOM 410 CG ASP A 27 3.065 1.359 5.412 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.852 2.268 5.075 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.400 1.385 6.468 1.00 0.00 O ATOM 0 H ASP A 27 3.043 -1.282 2.498 1.00 0.00 H new ATOM 0 HA ASP A 27 4.808 0.555 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.236 0.424 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.441 -0.654 5.040 1.00 0.00 H new ATOM 417 N ALA A 28 4.911 -2.334 5.075 1.00 0.00 N ATOM 418 CA ALA A 28 5.632 -3.126 6.064 1.00 0.00 C ATOM 419 C ALA A 28 6.913 -3.705 5.476 1.00 0.00 C ATOM 420 O ALA A 28 7.963 -3.694 6.118 1.00 0.00 O ATOM 421 CB ALA A 28 4.743 -4.240 6.598 1.00 0.00 C ATOM 0 H ALA A 28 4.301 -2.877 4.463 1.00 0.00 H new ATOM 0 HA ALA A 28 5.907 -2.469 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.294 -4.823 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.858 -3.807 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.439 -4.888 5.776 1.00 0.00 H new ATOM 427 N ASN A 29 6.821 -4.210 4.250 1.00 0.00 N ATOM 428 CA ASN A 29 7.974 -4.796 3.576 1.00 0.00 C ATOM 429 C ASN A 29 7.892 -4.575 2.068 1.00 0.00 C ATOM 430 O ASN A 29 6.882 -4.887 1.439 1.00 0.00 O ATOM 431 CB ASN A 29 8.063 -6.293 3.879 1.00 0.00 C ATOM 432 CG ASN A 29 9.397 -6.887 3.470 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.452 -6.439 3.919 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.355 -7.901 2.615 1.00 0.00 N ATOM 0 H ASN A 29 5.960 -4.225 3.703 1.00 0.00 H new ATOM 0 HA ASN A 29 8.871 -4.303 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.908 -6.455 4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.261 -6.815 3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.221 -8.342 2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.457 -8.239 2.269 1.00 0.00 H new ATOM 441 N ALA A 30 8.963 -4.036 1.496 1.00 0.00 N ATOM 442 CA ALA A 30 9.014 -3.776 0.062 1.00 0.00 C ATOM 443 C ALA A 30 10.171 -4.524 -0.591 1.00 0.00 C ATOM 444 O ALA A 30 10.511 -4.274 -1.747 1.00 0.00 O ATOM 445 CB ALA A 30 9.134 -2.282 -0.199 1.00 0.00 C ATOM 0 H ALA A 30 9.807 -3.771 2.003 1.00 0.00 H new ATOM 0 HA ALA A 30 8.086 -4.138 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.171 -2.102 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.272 -1.768 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.046 -1.904 0.264 1.00 0.00 H new ATOM 451 N TYR A 31 10.773 -5.442 0.157 1.00 0.00 N ATOM 452 CA TYR A 31 11.895 -6.224 -0.348 1.00 0.00 C ATOM 453 C TYR A 31 11.715 -7.705 -0.026 1.00 0.00 C ATOM 454 O TYR A 31 12.654 -8.401 0.361 1.00 0.00 O ATOM 455 CB TYR A 31 13.208 -5.717 0.249 1.00 0.00 C ATOM 456 CG TYR A 31 13.429 -4.234 0.054 1.00 0.00 C ATOM 457 CD1 TYR A 31 14.081 -3.751 -1.074 1.00 0.00 C ATOM 458 CD2 TYR A 31 12.987 -3.315 0.998 1.00 0.00 C ATOM 459 CE1 TYR A 31 14.286 -2.397 -1.257 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.186 -1.959 0.823 1.00 0.00 C ATOM 461 CZ TYR A 31 13.836 -1.505 -0.306 1.00 0.00 C ATOM 462 OH TYR A 31 14.037 -0.156 -0.483 1.00 0.00 O ATOM 0 H TYR A 31 10.503 -5.663 1.115 1.00 0.00 H new ATOM 0 HA TYR A 31 11.928 -6.107 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.223 -5.941 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.037 -6.262 -0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 31 14.434 -4.447 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.479 -3.667 1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.796 -2.039 -2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.835 -1.258 1.566 1.00 0.00 H new ATOM 0 HH TYR A 31 13.659 0.334 0.277 1.00 0.00 H new ATOM 472 N PRO A 32 10.479 -8.199 -0.191 1.00 0.00 N ATOM 473 CA PRO A 32 10.146 -9.602 0.074 1.00 0.00 C ATOM 474 C PRO A 32 10.767 -10.549 -0.947 1.00 0.00 C ATOM 475 O PRO A 32 11.146 -10.135 -2.043 1.00 0.00 O ATOM 476 CB PRO A 32 8.619 -9.630 -0.030 1.00 0.00 C ATOM 477 CG PRO A 32 8.280 -8.486 -0.923 1.00 0.00 C ATOM 478 CD PRO A 32 9.312 -7.428 -0.651 1.00 0.00 C ATOM 0 HA PRO A 32 10.528 -9.936 1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.268 -10.574 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.153 -9.520 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.299 -8.789 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.276 -8.114 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.540 -6.850 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.973 -6.722 0.107 1.00 0.00 H new ATOM 486 N LYS A 33 10.869 -11.822 -0.581 1.00 0.00 N ATOM 487 CA LYS A 33 11.442 -12.830 -1.465 1.00 0.00 C ATOM 488 C LYS A 33 10.348 -13.581 -2.216 1.00 0.00 C ATOM 489 O LYS A 33 9.167 -13.468 -1.888 1.00 0.00 O ATOM 490 CB LYS A 33 12.295 -13.816 -0.663 1.00 0.00 C ATOM 491 CG LYS A 33 13.486 -13.171 0.024 1.00 0.00 C ATOM 492 CD LYS A 33 14.575 -14.189 0.323 1.00 0.00 C ATOM 493 CE LYS A 33 14.261 -14.986 1.580 1.00 0.00 C ATOM 494 NZ LYS A 33 15.305 -16.010 1.862 1.00 0.00 N ATOM 0 H LYS A 33 10.562 -12.181 0.323 1.00 0.00 H new ATOM 0 HA LYS A 33 12.074 -12.321 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.669 -14.297 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.652 -14.601 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.889 -12.381 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.161 -12.701 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.682 -14.868 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.530 -13.677 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.179 -14.308 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.293 -15.475 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.055 -16.532 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.366 -16.673 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.224 -15.541 1.994 1.00 0.00 H new ATOM 508 N ASP A 34 10.748 -14.349 -3.224 1.00 0.00 N ATOM 509 CA ASP A 34 9.802 -15.121 -4.020 1.00 0.00 C ATOM 510 C ASP A 34 8.748 -15.773 -3.130 1.00 0.00 C ATOM 511 O ASP A 34 7.548 -15.599 -3.343 1.00 0.00 O ATOM 512 CB ASP A 34 10.536 -16.191 -4.829 1.00 0.00 C ATOM 513 CG ASP A 34 11.284 -15.610 -6.012 1.00 0.00 C ATOM 514 OD1 ASP A 34 10.627 -15.038 -6.906 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.527 -15.729 -6.045 1.00 0.00 O ATOM 0 H ASP A 34 11.722 -14.453 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 34 9.301 -14.438 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.238 -16.715 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.818 -16.930 -5.184 1.00 0.00 H new ATOM 520 N ASP A 35 9.205 -16.523 -2.133 1.00 0.00 N ATOM 521 CA ASP A 35 8.302 -17.201 -1.210 1.00 0.00 C ATOM 522 C ASP A 35 7.207 -16.254 -0.728 1.00 0.00 C ATOM 523 O ASP A 35 6.025 -16.596 -0.748 1.00 0.00 O ATOM 524 CB ASP A 35 9.080 -17.753 -0.015 1.00 0.00 C ATOM 525 CG ASP A 35 8.443 -19.001 0.564 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.201 -19.027 0.694 1.00 0.00 O ATOM 527 OD2 ASP A 35 9.186 -19.951 0.889 1.00 0.00 O ATOM 0 H ASP A 35 10.195 -16.677 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 35 7.833 -18.029 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.101 -17.979 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.142 -16.988 0.759 1.00 0.00 H new ATOM 532 N GLU A 36 7.610 -15.064 -0.293 1.00 0.00 N ATOM 533 CA GLU A 36 6.662 -14.070 0.196 1.00 0.00 C ATOM 534 C GLU A 36 5.725 -13.616 -0.919 1.00 0.00 C ATOM 535 O GLU A 36 4.503 -13.648 -0.770 1.00 0.00 O ATOM 536 CB GLU A 36 7.407 -12.864 0.774 1.00 0.00 C ATOM 537 CG GLU A 36 8.180 -13.178 2.044 1.00 0.00 C ATOM 538 CD GLU A 36 7.313 -13.107 3.286 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.973 -11.982 3.709 1.00 0.00 O ATOM 540 OE2 GLU A 36 6.975 -14.176 3.836 1.00 0.00 O ATOM 0 H GLU A 36 8.585 -14.765 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 36 6.065 -14.531 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.098 -12.481 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.690 -12.070 0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.613 -14.175 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.009 -12.477 2.143 1.00 0.00 H new ATOM 547 N PHE A 37 6.306 -13.193 -2.037 1.00 0.00 N ATOM 548 CA PHE A 37 5.524 -12.731 -3.177 1.00 0.00 C ATOM 549 C PHE A 37 4.399 -13.711 -3.499 1.00 0.00 C ATOM 550 O PHE A 37 3.295 -13.307 -3.860 1.00 0.00 O ATOM 551 CB PHE A 37 6.424 -12.552 -4.401 1.00 0.00 C ATOM 552 CG PHE A 37 7.017 -11.176 -4.513 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.320 -10.156 -5.139 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.272 -10.904 -3.991 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.864 -8.890 -5.244 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.820 -9.640 -4.093 1.00 0.00 C ATOM 557 CZ PHE A 37 8.115 -8.631 -4.719 1.00 0.00 C ATOM 0 H PHE A 37 7.316 -13.161 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 37 5.081 -11.770 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.230 -13.284 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.847 -12.765 -5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.341 -10.352 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.827 -11.689 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.311 -8.104 -5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.799 -9.441 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.541 -7.642 -4.798 1.00 0.00 H new ATOM 567 N GLU A 38 4.690 -15.001 -3.364 1.00 0.00 N ATOM 568 CA GLU A 38 3.703 -16.039 -3.641 1.00 0.00 C ATOM 569 C GLU A 38 2.455 -15.846 -2.785 1.00 0.00 C ATOM 570 O GLU A 38 1.332 -15.956 -3.275 1.00 0.00 O ATOM 571 CB GLU A 38 4.302 -17.424 -3.385 1.00 0.00 C ATOM 572 CG GLU A 38 5.277 -17.874 -4.459 1.00 0.00 C ATOM 573 CD GLU A 38 4.650 -17.909 -5.839 1.00 0.00 C ATOM 574 OE1 GLU A 38 4.552 -16.837 -6.473 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.256 -19.007 -6.285 1.00 0.00 O ATOM 0 H GLU A 38 5.600 -15.352 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 38 3.417 -15.963 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.813 -17.417 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.494 -18.152 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.135 -17.201 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.654 -18.866 -4.210 1.00 0.00 H new ATOM 582 N GLN A 39 2.662 -15.557 -1.504 1.00 0.00 N ATOM 583 CA GLN A 39 1.554 -15.350 -0.579 1.00 0.00 C ATOM 584 C GLN A 39 0.547 -14.357 -1.150 1.00 0.00 C ATOM 585 O GLN A 39 -0.657 -14.617 -1.167 1.00 0.00 O ATOM 586 CB GLN A 39 2.074 -14.849 0.769 1.00 0.00 C ATOM 587 CG GLN A 39 2.968 -15.848 1.486 1.00 0.00 C ATOM 588 CD GLN A 39 3.615 -15.267 2.727 1.00 0.00 C ATOM 589 OE1 GLN A 39 4.811 -14.973 2.738 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.827 -15.096 3.782 1.00 0.00 N ATOM 0 H GLN A 39 3.586 -15.461 -1.083 1.00 0.00 H new ATOM 0 HA GLN A 39 1.052 -16.306 -0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.629 -13.924 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.226 -14.608 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.379 -16.723 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.745 -16.190 0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.841 -15.353 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.207 -14.707 4.645 1.00 0.00 H new ATOM 599 N LEU A 40 1.047 -13.218 -1.616 1.00 0.00 N ATOM 600 CA LEU A 40 0.191 -12.184 -2.188 1.00 0.00 C ATOM 601 C LEU A 40 -0.324 -12.602 -3.562 1.00 0.00 C ATOM 602 O LEU A 40 -1.483 -12.363 -3.901 1.00 0.00 O ATOM 603 CB LEU A 40 0.955 -10.864 -2.297 1.00 0.00 C ATOM 604 CG LEU A 40 1.449 -10.264 -0.980 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.728 -9.471 -1.201 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.374 -9.384 -0.358 1.00 0.00 C ATOM 0 H LEU A 40 2.040 -12.987 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.664 -12.048 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.815 -11.018 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.311 -10.134 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 40 1.666 -11.080 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.064 -9.052 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.500 -10.129 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.538 -8.663 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.743 -8.966 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.125 -8.574 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.517 -9.981 -0.162 1.00 0.00 H new ATOM 618 N SER A 41 0.546 -13.228 -4.349 1.00 0.00 N ATOM 619 CA SER A 41 0.181 -13.677 -5.687 1.00 0.00 C ATOM 620 C SER A 41 -0.969 -14.679 -5.628 1.00 0.00 C ATOM 621 O SER A 41 -1.766 -14.780 -6.559 1.00 0.00 O ATOM 622 CB SER A 41 1.388 -14.309 -6.383 1.00 0.00 C ATOM 623 OG SER A 41 1.447 -15.703 -6.136 1.00 0.00 O ATOM 0 H SER A 41 1.508 -13.435 -4.083 1.00 0.00 H new ATOM 0 HA SER A 41 -0.145 -12.808 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.328 -14.129 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.304 -13.835 -6.031 1.00 0.00 H new ATOM 0 HG SER A 41 1.381 -15.868 -5.172 1.00 0.00 H new ATOM 629 N ASN A 42 -1.046 -15.418 -4.526 1.00 0.00 N ATOM 630 CA ASN A 42 -2.096 -16.413 -4.345 1.00 0.00 C ATOM 631 C ASN A 42 -3.374 -15.765 -3.821 1.00 0.00 C ATOM 632 O ASN A 42 -4.481 -16.187 -4.159 1.00 0.00 O ATOM 633 CB ASN A 42 -1.632 -17.505 -3.379 1.00 0.00 C ATOM 634 CG ASN A 42 -0.852 -18.602 -4.079 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.424 -19.433 -4.783 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.462 -18.607 -3.887 1.00 0.00 N ATOM 0 H ASN A 42 -0.394 -15.346 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.308 -16.862 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.010 -17.059 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.499 -17.940 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.040 -19.320 -4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.894 -17.898 -3.295 1.00 0.00 H new ATOM 643 N LEU A 43 -3.214 -14.738 -2.993 1.00 0.00 N ATOM 644 CA LEU A 43 -4.355 -14.030 -2.422 1.00 0.00 C ATOM 645 C LEU A 43 -5.059 -13.188 -3.481 1.00 0.00 C ATOM 646 O LEU A 43 -6.254 -13.354 -3.728 1.00 0.00 O ATOM 647 CB LEU A 43 -3.900 -13.140 -1.265 1.00 0.00 C ATOM 648 CG LEU A 43 -4.880 -12.048 -0.833 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.215 -12.657 -0.433 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.299 -11.233 0.314 1.00 0.00 C ATOM 0 H LEU A 43 -2.305 -14.377 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.061 -14.771 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.692 -13.775 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.959 -12.666 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.047 -11.381 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.900 -11.865 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.638 -13.196 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.066 -13.347 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.010 -10.461 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.103 -11.888 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.368 -10.766 -0.007 1.00 0.00 H new ATOM 662 N LEU A 44 -4.310 -12.286 -4.105 1.00 0.00 N ATOM 663 CA LEU A 44 -4.862 -11.418 -5.140 1.00 0.00 C ATOM 664 C LEU A 44 -5.051 -12.182 -6.447 1.00 0.00 C ATOM 665 O LEU A 44 -5.679 -11.686 -7.382 1.00 0.00 O ATOM 666 CB LEU A 44 -3.944 -10.215 -5.368 1.00 0.00 C ATOM 667 CG LEU A 44 -3.553 -9.424 -4.119 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.467 -8.411 -4.448 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.770 -8.730 -3.525 1.00 0.00 C ATOM 0 H LEU A 44 -3.320 -12.136 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.836 -11.065 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.032 -10.565 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.434 -9.536 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.160 -10.121 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.201 -7.857 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.587 -8.931 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.833 -7.718 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.473 -8.172 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.193 -8.045 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.517 -9.476 -3.252 1.00 0.00 H new ATOM 681 N ASN A 45 -4.506 -13.393 -6.503 1.00 0.00 N ATOM 682 CA ASN A 45 -4.617 -14.226 -7.695 1.00 0.00 C ATOM 683 C ASN A 45 -3.937 -13.562 -8.888 1.00 0.00 C ATOM 684 O ASN A 45 -4.382 -13.702 -10.028 1.00 0.00 O ATOM 685 CB ASN A 45 -6.088 -14.498 -8.018 1.00 0.00 C ATOM 686 CG ASN A 45 -6.608 -15.748 -7.336 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.011 -15.713 -6.173 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.603 -16.862 -8.059 1.00 0.00 N ATOM 0 H ASN A 45 -3.984 -13.819 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.115 -15.173 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.689 -13.643 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.208 -14.599 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.942 -17.734 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.260 -16.845 -9.019 1.00 0.00 H new ATOM 695 N LEU A 46 -2.855 -12.840 -8.618 1.00 0.00 N ATOM 696 CA LEU A 46 -2.111 -12.155 -9.670 1.00 0.00 C ATOM 697 C LEU A 46 -0.697 -12.716 -9.791 1.00 0.00 C ATOM 698 O LEU A 46 -0.123 -13.231 -8.831 1.00 0.00 O ATOM 699 CB LEU A 46 -2.053 -10.653 -9.385 1.00 0.00 C ATOM 700 CG LEU A 46 -3.401 -9.939 -9.275 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.212 -8.517 -8.768 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.114 -9.937 -10.619 1.00 0.00 C ATOM 0 H LEU A 46 -2.473 -12.714 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.630 -12.320 -10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.507 -10.501 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.475 -10.175 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.020 -10.479 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.182 -8.024 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.743 -8.541 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.575 -7.966 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.071 -9.425 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.499 -9.421 -11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.283 -10.964 -10.943 1.00 0.00 H new ATOM 714 N PRO A 47 -0.121 -12.612 -10.998 1.00 0.00 N ATOM 715 CA PRO A 47 1.233 -13.101 -11.273 1.00 0.00 C ATOM 716 C PRO A 47 2.303 -12.263 -10.581 1.00 0.00 C ATOM 717 O PRO A 47 2.302 -11.035 -10.675 1.00 0.00 O ATOM 718 CB PRO A 47 1.354 -12.974 -12.793 1.00 0.00 C ATOM 719 CG PRO A 47 0.392 -11.898 -13.162 1.00 0.00 C ATOM 720 CD PRO A 47 -0.747 -12.010 -12.187 1.00 0.00 C ATOM 0 HA PRO A 47 1.383 -14.115 -10.903 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.371 -12.714 -13.089 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.107 -13.913 -13.289 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.862 -10.916 -13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.042 -12.022 -14.187 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.181 -11.036 -11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.550 -12.635 -12.578 1.00 0.00 H new ATOM 728 N THR A 48 3.217 -12.933 -9.887 1.00 0.00 N ATOM 729 CA THR A 48 4.293 -12.250 -9.179 1.00 0.00 C ATOM 730 C THR A 48 4.909 -11.155 -10.041 1.00 0.00 C ATOM 731 O THR A 48 5.240 -10.076 -9.549 1.00 0.00 O ATOM 732 CB THR A 48 5.398 -13.235 -8.751 1.00 0.00 C ATOM 733 OG1 THR A 48 5.715 -14.115 -9.835 1.00 0.00 O ATOM 734 CG2 THR A 48 4.960 -14.048 -7.542 1.00 0.00 C ATOM 0 H THR A 48 3.234 -13.949 -9.800 1.00 0.00 H new ATOM 0 HA THR A 48 3.852 -11.802 -8.289 1.00 0.00 H new ATOM 0 HB THR A 48 6.283 -12.659 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.419 -14.737 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.756 -14.736 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.747 -13.377 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.062 -14.614 -7.790 1.00 0.00 H new ATOM 742 N ARG A 49 5.062 -11.439 -11.331 1.00 0.00 N ATOM 743 CA ARG A 49 5.640 -10.477 -12.262 1.00 0.00 C ATOM 744 C ARG A 49 4.930 -9.130 -12.162 1.00 0.00 C ATOM 745 O ARG A 49 5.558 -8.076 -12.263 1.00 0.00 O ATOM 746 CB ARG A 49 5.553 -11.007 -13.694 1.00 0.00 C ATOM 747 CG ARG A 49 4.206 -10.761 -14.354 1.00 0.00 C ATOM 748 CD ARG A 49 4.150 -9.392 -15.013 1.00 0.00 C ATOM 749 NE ARG A 49 3.140 -9.333 -16.067 1.00 0.00 N ATOM 750 CZ ARG A 49 3.358 -9.728 -17.316 1.00 0.00 C ATOM 751 NH1 ARG A 49 4.543 -10.209 -17.666 1.00 0.00 N ATOM 752 NH2 ARG A 49 2.388 -9.643 -18.219 1.00 0.00 N ATOM 0 H ARG A 49 4.794 -12.327 -11.755 1.00 0.00 H new ATOM 0 HA ARG A 49 6.688 -10.336 -11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.333 -10.538 -14.294 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.755 -12.078 -13.689 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.019 -11.533 -15.100 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.415 -10.840 -13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.932 -8.635 -14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.127 -9.152 -15.433 1.00 0.00 H new ATOM 0 HE ARG A 49 2.217 -8.969 -15.831 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.290 -10.276 -16.975 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.707 -10.512 -18.626 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.475 -9.274 -17.953 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.556 -9.947 -19.178 1.00 0.00 H new ATOM 766 N VAL A 50 3.616 -9.173 -11.964 1.00 0.00 N ATOM 767 CA VAL A 50 2.821 -7.956 -11.850 1.00 0.00 C ATOM 768 C VAL A 50 3.021 -7.294 -10.492 1.00 0.00 C ATOM 769 O VAL A 50 3.111 -6.069 -10.394 1.00 0.00 O ATOM 770 CB VAL A 50 1.321 -8.245 -12.053 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.480 -7.092 -11.527 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.023 -8.507 -13.521 1.00 0.00 C ATOM 0 H VAL A 50 3.080 -10.037 -11.879 1.00 0.00 H new ATOM 0 HA VAL A 50 3.163 -7.280 -12.634 1.00 0.00 H new ATOM 0 HB VAL A 50 1.061 -9.140 -11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.576 -7.313 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.673 -6.957 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.740 -6.179 -12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.041 -8.709 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.298 -7.632 -14.110 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.598 -9.368 -13.861 1.00 0.00 H new ATOM 782 N ILE A 51 3.089 -8.110 -9.446 1.00 0.00 N ATOM 783 CA ILE A 51 3.280 -7.603 -8.093 1.00 0.00 C ATOM 784 C ILE A 51 4.695 -7.069 -7.901 1.00 0.00 C ATOM 785 O ILE A 51 4.929 -6.180 -7.082 1.00 0.00 O ATOM 786 CB ILE A 51 3.007 -8.693 -7.039 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.694 -9.414 -7.348 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.969 -8.085 -5.645 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.472 -10.653 -6.508 1.00 0.00 C ATOM 0 H ILE A 51 3.015 -9.125 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 51 2.566 -6.791 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 51 3.817 -9.422 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.865 -8.725 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.681 -9.692 -8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.775 -8.868 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.927 -7.613 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.177 -7.338 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.522 -11.112 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.282 -11.361 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.452 -10.379 -5.453 1.00 0.00 H new ATOM 801 N VAL A 52 5.637 -7.616 -8.663 1.00 0.00 N ATOM 802 CA VAL A 52 7.030 -7.193 -8.579 1.00 0.00 C ATOM 803 C VAL A 52 7.213 -5.790 -9.147 1.00 0.00 C ATOM 804 O VAL A 52 7.747 -4.903 -8.480 1.00 0.00 O ATOM 805 CB VAL A 52 7.958 -8.164 -9.332 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.393 -7.662 -9.302 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.861 -9.561 -8.738 1.00 0.00 C ATOM 0 H VAL A 52 5.461 -8.353 -9.346 1.00 0.00 H new ATOM 0 HA VAL A 52 7.297 -7.192 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 52 7.637 -8.213 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.034 -8.361 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.446 -6.682 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.729 -7.582 -8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.523 -10.234 -9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.155 -9.532 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.835 -9.919 -8.817 1.00 0.00 H new ATOM 817 N VAL A 53 6.764 -5.594 -10.383 1.00 0.00 N ATOM 818 CA VAL A 53 6.877 -4.298 -11.041 1.00 0.00 C ATOM 819 C VAL A 53 6.254 -3.195 -10.192 1.00 0.00 C ATOM 820 O VAL A 53 6.796 -2.094 -10.092 1.00 0.00 O ATOM 821 CB VAL A 53 6.200 -4.310 -12.424 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.351 -2.958 -13.105 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.778 -5.420 -13.289 1.00 0.00 C ATOM 0 H VAL A 53 6.319 -6.317 -10.949 1.00 0.00 H new ATOM 0 HA VAL A 53 7.941 -4.099 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 53 5.136 -4.503 -12.287 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.866 -2.986 -14.081 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.886 -2.187 -12.491 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.409 -2.731 -13.232 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.289 -5.415 -14.263 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.848 -5.260 -13.420 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.612 -6.382 -12.805 1.00 0.00 H new ATOM 833 N TRP A 54 5.113 -3.498 -9.583 1.00 0.00 N ATOM 834 CA TRP A 54 4.416 -2.532 -8.742 1.00 0.00 C ATOM 835 C TRP A 54 5.223 -2.220 -7.487 1.00 0.00 C ATOM 836 O TRP A 54 5.390 -1.058 -7.117 1.00 0.00 O ATOM 837 CB TRP A 54 3.035 -3.064 -8.356 1.00 0.00 C ATOM 838 CG TRP A 54 2.229 -2.093 -7.547 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.191 -1.322 -7.987 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.397 -1.788 -6.158 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.703 -0.556 -6.956 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.426 -0.824 -5.823 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.272 -2.236 -5.165 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.308 -0.303 -4.537 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.153 -1.717 -3.890 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.177 -0.760 -3.585 1.00 0.00 C ATOM 0 H TRP A 54 4.651 -4.405 -9.656 1.00 0.00 H new ATOM 0 HA TRP A 54 4.297 -1.611 -9.312 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.484 -3.316 -9.262 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.155 -3.987 -7.789 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.810 -1.315 -8.997 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.071 0.105 -7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.027 -2.974 -5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.557 0.436 -4.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.825 -2.055 -3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.109 -0.375 -2.578 1.00 0.00 H new ATOM 857 N PHE A 55 5.723 -3.265 -6.835 1.00 0.00 N ATOM 858 CA PHE A 55 6.513 -3.102 -5.620 1.00 0.00 C ATOM 859 C PHE A 55 7.804 -2.342 -5.909 1.00 0.00 C ATOM 860 O PHE A 55 8.215 -1.480 -5.133 1.00 0.00 O ATOM 861 CB PHE A 55 6.837 -4.468 -5.011 1.00 0.00 C ATOM 862 CG PHE A 55 5.822 -4.931 -4.005 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.504 -5.138 -4.377 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.187 -5.160 -2.688 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.567 -5.565 -3.454 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.256 -5.588 -1.761 1.00 0.00 C ATOM 867 CZ PHE A 55 3.944 -5.789 -2.144 1.00 0.00 C ATOM 0 H PHE A 55 5.595 -4.234 -7.128 1.00 0.00 H new ATOM 0 HA PHE A 55 5.924 -2.524 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.908 -5.206 -5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.816 -4.421 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.205 -4.964 -5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.211 -5.002 -2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.542 -5.723 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.554 -5.765 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.214 -6.121 -1.420 1.00 0.00 H new ATOM 877 N GLN A 56 8.438 -2.669 -7.030 1.00 0.00 N ATOM 878 CA GLN A 56 9.683 -2.018 -7.421 1.00 0.00 C ATOM 879 C GLN A 56 9.501 -0.507 -7.514 1.00 0.00 C ATOM 880 O GLN A 56 10.260 0.257 -6.920 1.00 0.00 O ATOM 881 CB GLN A 56 10.173 -2.569 -8.761 1.00 0.00 C ATOM 882 CG GLN A 56 10.885 -3.907 -8.646 1.00 0.00 C ATOM 883 CD GLN A 56 11.931 -4.106 -9.725 1.00 0.00 C ATOM 884 OE1 GLN A 56 13.086 -3.710 -9.568 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.530 -4.724 -10.831 1.00 0.00 N ATOM 0 H GLN A 56 8.110 -3.380 -7.683 1.00 0.00 H new ATOM 0 HA GLN A 56 10.430 -2.229 -6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.322 -2.677 -9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.849 -1.845 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.360 -3.979 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.151 -4.711 -8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.563 -5.036 -10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.189 -4.887 -11.592 1.00 0.00 H new ATOM 894 N ASN A 57 8.490 -0.083 -8.265 1.00 0.00 N ATOM 895 CA ASN A 57 8.209 1.338 -8.437 1.00 0.00 C ATOM 896 C ASN A 57 7.853 1.988 -7.103 1.00 0.00 C ATOM 897 O ASN A 57 8.447 2.993 -6.713 1.00 0.00 O ATOM 898 CB ASN A 57 7.065 1.536 -9.434 1.00 0.00 C ATOM 899 CG ASN A 57 7.512 1.345 -10.871 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.458 2.274 -11.678 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.955 0.137 -11.197 1.00 0.00 N ATOM 0 H ASN A 57 7.852 -0.703 -8.764 1.00 0.00 H new ATOM 0 HA ASN A 57 9.108 1.816 -8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.264 0.832 -9.209 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.652 2.538 -9.315 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.268 -0.051 -12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.982 -0.603 -10.495 1.00 0.00 H new ATOM 908 N ALA A 58 6.882 1.405 -6.408 1.00 0.00 N ATOM 909 CA ALA A 58 6.449 1.926 -5.117 1.00 0.00 C ATOM 910 C ALA A 58 7.643 2.346 -4.266 1.00 0.00 C ATOM 911 O ALA A 58 7.542 3.260 -3.447 1.00 0.00 O ATOM 912 CB ALA A 58 5.615 0.887 -4.382 1.00 0.00 C ATOM 0 H ALA A 58 6.380 0.572 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 58 5.835 2.809 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.298 1.289 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.737 0.638 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.212 -0.011 -4.221 1.00 0.00 H new ATOM 918 N ARG A 59 8.772 1.674 -4.466 1.00 0.00 N ATOM 919 CA ARG A 59 9.984 1.977 -3.715 1.00 0.00 C ATOM 920 C ARG A 59 10.600 3.292 -4.185 1.00 0.00 C ATOM 921 O ARG A 59 10.998 4.126 -3.373 1.00 0.00 O ATOM 922 CB ARG A 59 11.000 0.843 -3.866 1.00 0.00 C ATOM 923 CG ARG A 59 10.594 -0.437 -3.153 1.00 0.00 C ATOM 924 CD ARG A 59 11.778 -1.374 -2.974 1.00 0.00 C ATOM 925 NE ARG A 59 12.030 -2.173 -4.170 1.00 0.00 N ATOM 926 CZ ARG A 59 12.762 -1.752 -5.195 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.313 -0.546 -5.169 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.946 -2.538 -6.248 1.00 0.00 N ATOM 0 H ARG A 59 8.872 0.916 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 59 9.715 2.077 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.139 0.630 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.963 1.175 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.171 -0.193 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.813 -0.940 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.668 -0.792 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.592 -2.036 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 59 11.621 -3.106 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.175 0.060 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.875 -0.225 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.525 -3.467 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.508 -2.213 -7.035 1.00 0.00 H new