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= -0.0634 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.08! C(o=-4.1!,f=-5.1!) USER MOD Single : A 23 GLN : amide:sc= -3.97! C(o=-4!,f=-6.3!) USER MOD Single : A 29 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.068) 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 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 67:sc= 1.13 USER MOD Single : A 42 ASN : amide:sc= 0.743 K(o=0.74,f=-0.075) USER MOD Single : A 45 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.49) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= 0.973 K(o=0.97,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.210 -2.241 -10.826 1.00 0.00 N ATOM 175 CA PHE A 14 -5.728 -3.019 -9.707 1.00 0.00 C ATOM 176 C PHE A 14 -6.913 -2.313 -9.055 1.00 0.00 C ATOM 177 O PHE A 14 -7.185 -1.144 -9.334 1.00 0.00 O ATOM 178 CB PHE A 14 -4.628 -3.255 -8.671 1.00 0.00 C ATOM 179 CG PHE A 14 -3.328 -3.712 -9.269 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.399 -2.792 -9.725 1.00 0.00 C ATOM 181 CD2 PHE A 14 -3.037 -5.063 -9.376 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.202 -3.209 -10.276 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.841 -5.486 -9.926 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.923 -4.558 -10.378 1.00 0.00 C ATOM 0 HA PHE A 14 -6.068 -3.980 -10.092 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.459 -2.332 -8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.970 -4.000 -7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.612 -1.736 -9.649 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.752 -5.793 -9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.486 -2.481 -10.626 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.625 -6.541 -10.002 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.011 -4.886 -10.810 1.00 0.00 H new ATOM 194 N THR A 15 -7.617 -3.030 -8.185 1.00 0.00 N ATOM 195 CA THR A 15 -8.774 -2.474 -7.494 1.00 0.00 C ATOM 196 C THR A 15 -8.477 -2.252 -6.016 1.00 0.00 C ATOM 197 O THR A 15 -7.655 -2.954 -5.426 1.00 0.00 O ATOM 198 CB THR A 15 -10.003 -3.393 -7.628 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.030 -2.972 -6.723 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.630 -4.840 -7.341 1.00 0.00 C ATOM 0 H THR A 15 -7.406 -3.998 -7.942 1.00 0.00 H new ATOM 0 HA THR A 15 -8.994 -1.516 -7.965 1.00 0.00 H new ATOM 0 HB THR A 15 -10.371 -3.325 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.809 -3.560 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.514 -5.470 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.869 -5.167 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.240 -4.921 -6.326 1.00 0.00 H new ATOM 208 N ASP A 16 -9.151 -1.274 -5.422 1.00 0.00 N ATOM 209 CA ASP A 16 -8.961 -0.960 -4.011 1.00 0.00 C ATOM 210 C ASP A 16 -8.682 -2.226 -3.206 1.00 0.00 C ATOM 211 O ASP A 16 -7.766 -2.263 -2.385 1.00 0.00 O ATOM 212 CB ASP A 16 -10.194 -0.248 -3.454 1.00 0.00 C ATOM 213 CG ASP A 16 -10.726 0.812 -4.398 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.914 1.607 -4.917 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.955 0.847 -4.619 1.00 0.00 O ATOM 0 H ASP A 16 -9.835 -0.684 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.099 -0.298 -3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.976 -0.982 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.943 0.213 -2.499 1.00 0.00 H new ATOM 220 N TYR A 17 -9.479 -3.261 -3.447 1.00 0.00 N ATOM 221 CA TYR A 17 -9.321 -4.528 -2.743 1.00 0.00 C ATOM 222 C TYR A 17 -7.897 -5.058 -2.887 1.00 0.00 C ATOM 223 O TYR A 17 -7.283 -5.489 -1.912 1.00 0.00 O ATOM 224 CB TYR A 17 -10.317 -5.559 -3.275 1.00 0.00 C ATOM 225 CG TYR A 17 -9.894 -6.991 -3.034 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.445 -7.402 -1.785 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.941 -7.931 -4.055 1.00 0.00 C ATOM 228 CE1 TYR A 17 -9.056 -8.709 -1.560 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.556 -9.240 -3.839 1.00 0.00 C ATOM 230 CZ TYR A 17 -9.114 -9.624 -2.590 1.00 0.00 C ATOM 231 OH TYR A 17 -8.728 -10.927 -2.372 1.00 0.00 O ATOM 0 H TYR A 17 -10.241 -3.247 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.519 -4.354 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.286 -5.391 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.451 -5.404 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.399 -6.688 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.284 -7.634 -5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.709 -9.012 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.601 -9.959 -4.644 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.831 -11.442 -3.200 1.00 0.00 H new ATOM 241 N GLN A 18 -7.381 -5.020 -4.111 1.00 0.00 N ATOM 242 CA GLN A 18 -6.030 -5.496 -4.384 1.00 0.00 C ATOM 243 C GLN A 18 -4.990 -4.494 -3.894 1.00 0.00 C ATOM 244 O GLN A 18 -4.061 -4.852 -3.169 1.00 0.00 O ATOM 245 CB GLN A 18 -5.848 -5.747 -5.882 1.00 0.00 C ATOM 246 CG GLN A 18 -6.846 -6.738 -6.459 1.00 0.00 C ATOM 247 CD GLN A 18 -6.287 -7.509 -7.639 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.807 -6.922 -8.608 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.348 -8.834 -7.562 1.00 0.00 N ATOM 0 H GLN A 18 -7.877 -4.665 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.886 -6.433 -3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.940 -4.800 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.838 -6.116 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.147 -7.440 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.744 -6.204 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.755 -9.279 -6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.988 -9.406 -8.326 1.00 0.00 H new ATOM 258 N LEU A 19 -5.152 -3.238 -4.295 1.00 0.00 N ATOM 259 CA LEU A 19 -4.226 -2.183 -3.897 1.00 0.00 C ATOM 260 C LEU A 19 -4.079 -2.132 -2.379 1.00 0.00 C ATOM 261 O LEU A 19 -3.031 -1.749 -1.860 1.00 0.00 O ATOM 262 CB LEU A 19 -4.710 -0.829 -4.420 1.00 0.00 C ATOM 263 CG LEU A 19 -4.556 -0.596 -5.923 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.190 0.726 -6.326 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.087 -0.629 -6.320 1.00 0.00 C ATOM 0 H LEU A 19 -5.915 -2.925 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.251 -2.406 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.763 -0.718 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.168 -0.044 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.072 -1.398 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.071 0.875 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.251 0.711 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.703 1.541 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.996 -0.461 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.548 0.152 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.664 -1.601 -6.068 1.00 0.00 H new ATOM 277 N ARG A 20 -5.136 -2.522 -1.674 1.00 0.00 N ATOM 278 CA ARG A 20 -5.124 -2.521 -0.216 1.00 0.00 C ATOM 279 C ARG A 20 -4.105 -3.523 0.319 1.00 0.00 C ATOM 280 O ARG A 20 -3.269 -3.185 1.158 1.00 0.00 O ATOM 281 CB ARG A 20 -6.515 -2.853 0.327 1.00 0.00 C ATOM 282 CG ARG A 20 -6.696 -2.500 1.794 1.00 0.00 C ATOM 283 CD ARG A 20 -6.225 -3.627 2.700 1.00 0.00 C ATOM 284 NE ARG A 20 -5.945 -3.158 4.055 1.00 0.00 N ATOM 285 CZ ARG A 20 -5.965 -3.947 5.124 1.00 0.00 C ATOM 286 NH1 ARG A 20 -6.249 -5.236 4.996 1.00 0.00 N ATOM 287 NH2 ARG A 20 -5.699 -3.447 6.324 1.00 0.00 N ATOM 0 H ARG A 20 -6.011 -2.843 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.839 -1.524 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.262 -2.320 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.704 -3.918 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.139 -1.591 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.747 -2.288 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.987 -4.406 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.327 -4.079 2.280 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.722 -2.172 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.453 -5.624 4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.264 -5.839 5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.479 -2.456 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.715 -4.053 7.144 1.00 0.00 H new ATOM 301 N VAL A 21 -4.180 -4.756 -0.171 1.00 0.00 N ATOM 302 CA VAL A 21 -3.265 -5.807 0.258 1.00 0.00 C ATOM 303 C VAL A 21 -1.843 -5.522 -0.212 1.00 0.00 C ATOM 304 O VAL A 21 -0.880 -5.723 0.529 1.00 0.00 O ATOM 305 CB VAL A 21 -3.703 -7.184 -0.273 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.733 -8.265 0.180 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.119 -7.504 0.181 1.00 0.00 C ATOM 0 H VAL A 21 -4.866 -5.052 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.289 -5.822 1.348 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.693 -7.153 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.059 -9.231 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.736 -8.041 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.708 -8.298 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.412 -8.481 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.158 -7.516 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.803 -6.745 -0.198 1.00 0.00 H new ATOM 317 N LEU A 22 -1.718 -5.051 -1.448 1.00 0.00 N ATOM 318 CA LEU A 22 -0.412 -4.738 -2.019 1.00 0.00 C ATOM 319 C LEU A 22 0.256 -3.599 -1.256 1.00 0.00 C ATOM 320 O LEU A 22 1.438 -3.674 -0.920 1.00 0.00 O ATOM 321 CB LEU A 22 -0.556 -4.362 -3.495 1.00 0.00 C ATOM 322 CG LEU A 22 -1.086 -5.460 -4.419 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.468 -4.880 -5.772 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.051 -6.564 -4.582 1.00 0.00 C ATOM 0 H LEU A 22 -2.504 -4.877 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 22 0.216 -5.625 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.222 -3.502 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.418 -4.043 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.979 -5.891 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.843 -5.675 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.243 -4.125 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.592 -4.423 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.444 -7.337 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.860 -6.148 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.174 -6.999 -3.608 1.00 0.00 H new ATOM 336 N GLN A 23 -0.509 -2.547 -0.983 1.00 0.00 N ATOM 337 CA GLN A 23 0.010 -1.393 -0.258 1.00 0.00 C ATOM 338 C GLN A 23 0.295 -1.749 1.198 1.00 0.00 C ATOM 339 O GLN A 23 1.276 -1.286 1.780 1.00 0.00 O ATOM 340 CB GLN A 23 -0.983 -0.232 -0.327 1.00 0.00 C ATOM 341 CG GLN A 23 -0.352 1.125 -0.060 1.00 0.00 C ATOM 342 CD GLN A 23 0.494 1.138 1.198 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.014 0.820 2.286 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.762 1.506 1.055 1.00 0.00 N ATOM 0 H GLN A 23 -1.490 -2.470 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 23 0.945 -1.090 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.447 -0.220 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.779 -0.402 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.266 1.408 -0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.137 1.876 0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.118 1.762 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.380 1.533 1.866 1.00 0.00 H new ATOM 353 N ASP A 24 -0.569 -2.572 1.780 1.00 0.00 N ATOM 354 CA ASP A 24 -0.411 -2.991 3.168 1.00 0.00 C ATOM 355 C ASP A 24 0.873 -3.796 3.350 1.00 0.00 C ATOM 356 O ASP A 24 1.559 -3.669 4.364 1.00 0.00 O ATOM 357 CB ASP A 24 -1.615 -3.821 3.614 1.00 0.00 C ATOM 358 CG ASP A 24 -1.547 -4.199 5.080 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.494 -4.715 5.511 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.546 -3.980 5.797 1.00 0.00 O ATOM 0 H ASP A 24 -1.387 -2.963 1.312 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.349 -2.096 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.529 -3.257 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.672 -4.727 3.011 1.00 0.00 H new ATOM 365 N PHE A 25 1.190 -4.625 2.361 1.00 0.00 N ATOM 366 CA PHE A 25 2.389 -5.453 2.412 1.00 0.00 C ATOM 367 C PHE A 25 3.639 -4.617 2.150 1.00 0.00 C ATOM 368 O PHE A 25 4.722 -4.926 2.646 1.00 0.00 O ATOM 369 CB PHE A 25 2.296 -6.586 1.389 1.00 0.00 C ATOM 370 CG PHE A 25 3.322 -7.664 1.594 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.666 -7.410 1.376 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.941 -8.932 2.003 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.613 -8.400 1.564 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.883 -9.926 2.194 1.00 0.00 C ATOM 375 CZ PHE A 25 5.220 -9.660 1.972 1.00 0.00 C ATOM 0 H PHE A 25 0.633 -4.741 1.514 1.00 0.00 H new ATOM 0 HA PHE A 25 2.462 -5.881 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.301 -7.028 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.411 -6.171 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.978 -6.427 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.896 -9.146 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.658 -8.189 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.574 -10.909 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.957 -10.436 2.117 1.00 0.00 H new ATOM 385 N PHE A 26 3.479 -3.556 1.365 1.00 0.00 N ATOM 386 CA PHE A 26 4.594 -2.675 1.034 1.00 0.00 C ATOM 387 C PHE A 26 4.968 -1.800 2.227 1.00 0.00 C ATOM 388 O PHE A 26 6.141 -1.681 2.579 1.00 0.00 O ATOM 389 CB PHE A 26 4.237 -1.796 -0.166 1.00 0.00 C ATOM 390 CG PHE A 26 5.319 -0.821 -0.537 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.438 0.388 0.130 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.216 -1.114 -1.551 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.431 1.286 -0.210 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.211 -0.220 -1.895 1.00 0.00 C ATOM 395 CZ PHE A 26 7.320 0.982 -1.223 1.00 0.00 C ATOM 0 H PHE A 26 2.589 -3.286 0.947 1.00 0.00 H new ATOM 0 HA PHE A 26 5.453 -3.296 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.024 -2.434 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.323 -1.245 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.747 0.631 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.136 -2.053 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.512 2.226 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.903 -0.460 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.098 1.682 -1.489 1.00 0.00 H new ATOM 405 N ASP A 27 3.962 -1.190 2.844 1.00 0.00 N ATOM 406 CA ASP A 27 4.184 -0.326 3.998 1.00 0.00 C ATOM 407 C ASP A 27 4.979 -1.054 5.077 1.00 0.00 C ATOM 408 O ASP A 27 5.722 -0.435 5.838 1.00 0.00 O ATOM 409 CB ASP A 27 2.847 0.153 4.567 1.00 0.00 C ATOM 410 CG ASP A 27 3.012 1.309 5.535 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.088 2.465 5.070 1.00 0.00 O ATOM 412 OD2 ASP A 27 3.062 1.057 6.757 1.00 0.00 O ATOM 0 H ASP A 27 2.985 -1.278 2.565 1.00 0.00 H new ATOM 0 HA ASP A 27 4.761 0.538 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.195 0.458 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.354 -0.676 5.075 1.00 0.00 H new ATOM 417 N ALA A 28 4.817 -2.372 5.137 1.00 0.00 N ATOM 418 CA ALA A 28 5.520 -3.184 6.122 1.00 0.00 C ATOM 419 C ALA A 28 6.802 -3.769 5.537 1.00 0.00 C ATOM 420 O ALA A 28 7.839 -3.797 6.197 1.00 0.00 O ATOM 421 CB ALA A 28 4.616 -4.296 6.632 1.00 0.00 C ATOM 0 H ALA A 28 4.205 -2.900 4.515 1.00 0.00 H new ATOM 0 HA ALA A 28 5.793 -2.540 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.154 -4.894 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.731 -3.861 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.314 -4.930 5.799 1.00 0.00 H new ATOM 427 N ASN A 29 6.721 -4.235 4.295 1.00 0.00 N ATOM 428 CA ASN A 29 7.875 -4.820 3.622 1.00 0.00 C ATOM 429 C ASN A 29 7.814 -4.566 2.119 1.00 0.00 C ATOM 430 O ASN A 29 6.812 -4.862 1.469 1.00 0.00 O ATOM 431 CB ASN A 29 7.941 -6.324 3.895 1.00 0.00 C ATOM 432 CG ASN A 29 9.255 -6.935 3.447 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.330 -6.468 3.824 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.174 -7.986 2.639 1.00 0.00 N ATOM 0 H ASN A 29 5.869 -4.219 3.735 1.00 0.00 H new ATOM 0 HA ASN A 29 8.774 -4.346 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.805 -6.503 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.118 -6.821 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.025 -8.440 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.261 -8.339 2.352 1.00 0.00 H new ATOM 441 N ALA A 30 8.894 -4.017 1.573 1.00 0.00 N ATOM 442 CA ALA A 30 8.965 -3.726 0.147 1.00 0.00 C ATOM 443 C ALA A 30 10.136 -4.455 -0.505 1.00 0.00 C ATOM 444 O ALA A 30 10.492 -4.177 -1.650 1.00 0.00 O ATOM 445 CB ALA A 30 9.082 -2.226 -0.081 1.00 0.00 C ATOM 0 H ALA A 30 9.732 -3.765 2.097 1.00 0.00 H new ATOM 0 HA ALA A 30 8.045 -4.082 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.134 -2.024 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.211 -1.725 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.985 -1.854 0.403 1.00 0.00 H new ATOM 451 N TYR A 31 10.730 -5.387 0.232 1.00 0.00 N ATOM 452 CA TYR A 31 11.863 -6.153 -0.273 1.00 0.00 C ATOM 453 C TYR A 31 11.685 -7.641 0.014 1.00 0.00 C ATOM 454 O TYR A 31 12.621 -8.340 0.403 1.00 0.00 O ATOM 455 CB TYR A 31 13.165 -5.653 0.354 1.00 0.00 C ATOM 456 CG TYR A 31 13.268 -4.145 0.412 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.675 -3.427 1.442 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.962 -3.439 -0.564 1.00 0.00 C ATOM 459 CE1 TYR A 31 12.766 -2.050 1.498 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.060 -2.062 -0.515 1.00 0.00 C ATOM 461 CZ TYR A 31 13.460 -1.372 0.518 1.00 0.00 C ATOM 462 OH TYR A 31 13.555 0.000 0.571 1.00 0.00 O ATOM 0 H TYR A 31 10.446 -5.630 1.181 1.00 0.00 H new ATOM 0 HA TYR A 31 11.911 -6.013 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.250 -6.054 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.007 -6.045 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.133 -3.955 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.432 -3.976 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.296 -1.507 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.603 -1.529 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 31 14.078 0.321 -0.193 1.00 0.00 H new ATOM 472 N PRO A 32 10.455 -8.138 -0.181 1.00 0.00 N ATOM 473 CA PRO A 32 10.125 -9.547 0.050 1.00 0.00 C ATOM 474 C PRO A 32 10.767 -10.470 -0.981 1.00 0.00 C ATOM 475 O PRO A 32 11.145 -10.035 -2.069 1.00 0.00 O ATOM 476 CB PRO A 32 8.600 -9.580 -0.081 1.00 0.00 C ATOM 477 CG PRO A 32 8.269 -8.420 -0.955 1.00 0.00 C ATOM 478 CD PRO A 32 9.292 -7.362 -0.643 1.00 0.00 C ATOM 0 HA PRO A 32 10.492 -9.898 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.261 -10.517 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.117 -9.493 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.307 -8.701 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.260 -8.058 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.532 -6.763 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.937 -6.674 0.124 1.00 0.00 H new ATOM 486 N LYS A 33 10.888 -11.746 -0.632 1.00 0.00 N ATOM 487 CA LYS A 33 11.483 -12.731 -1.526 1.00 0.00 C ATOM 488 C LYS A 33 10.407 -13.472 -2.313 1.00 0.00 C ATOM 489 O LYS A 33 9.221 -13.383 -1.996 1.00 0.00 O ATOM 490 CB LYS A 33 12.326 -13.730 -0.730 1.00 0.00 C ATOM 491 CG LYS A 33 13.521 -13.100 -0.035 1.00 0.00 C ATOM 492 CD LYS A 33 14.624 -14.116 0.209 1.00 0.00 C ATOM 493 CE LYS A 33 14.306 -15.007 1.400 1.00 0.00 C ATOM 494 NZ LYS A 33 15.539 -15.589 2.002 1.00 0.00 N ATOM 0 H LYS A 33 10.581 -12.122 0.265 1.00 0.00 H new ATOM 0 HA LYS A 33 12.125 -12.203 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.695 -14.212 0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.678 -14.512 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.907 -12.282 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.205 -12.669 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.758 -14.731 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.567 -13.597 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.772 -14.429 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.641 -15.811 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.280 -16.190 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.036 -16.162 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.162 -14.822 2.326 1.00 0.00 H new ATOM 508 N ASP A 34 10.828 -14.203 -3.339 1.00 0.00 N ATOM 509 CA ASP A 34 9.900 -14.962 -4.170 1.00 0.00 C ATOM 510 C ASP A 34 8.858 -15.672 -3.311 1.00 0.00 C ATOM 511 O ASP A 34 7.657 -15.564 -3.559 1.00 0.00 O ATOM 512 CB ASP A 34 10.660 -15.982 -5.020 1.00 0.00 C ATOM 513 CG ASP A 34 11.740 -16.700 -4.234 1.00 0.00 C ATOM 514 OD1 ASP A 34 12.806 -16.093 -4.001 1.00 0.00 O ATOM 515 OD2 ASP A 34 11.519 -17.869 -3.854 1.00 0.00 O ATOM 0 H ASP A 34 11.806 -14.286 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 34 9.386 -14.263 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.958 -16.714 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.111 -15.476 -5.873 1.00 0.00 H new ATOM 520 N ASP A 35 9.326 -16.398 -2.302 1.00 0.00 N ATOM 521 CA ASP A 35 8.435 -17.127 -1.407 1.00 0.00 C ATOM 522 C ASP A 35 7.312 -16.224 -0.905 1.00 0.00 C ATOM 523 O ASP A 35 6.138 -16.590 -0.959 1.00 0.00 O ATOM 524 CB ASP A 35 9.219 -17.693 -0.222 1.00 0.00 C ATOM 525 CG ASP A 35 8.601 -18.964 0.327 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.870 -20.046 -0.236 1.00 0.00 O ATOM 527 OD2 ASP A 35 7.849 -18.876 1.320 1.00 0.00 O ATOM 0 H ASP A 35 10.317 -16.497 -2.083 1.00 0.00 H new ATOM 0 HA ASP A 35 7.992 -17.951 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.244 -17.895 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.267 -16.945 0.569 1.00 0.00 H new ATOM 532 N GLU A 36 7.682 -15.044 -0.417 1.00 0.00 N ATOM 533 CA GLU A 36 6.705 -14.090 0.095 1.00 0.00 C ATOM 534 C GLU A 36 5.774 -13.614 -1.016 1.00 0.00 C ATOM 535 O GLU A 36 4.551 -13.665 -0.881 1.00 0.00 O ATOM 536 CB GLU A 36 7.414 -12.892 0.730 1.00 0.00 C ATOM 537 CG GLU A 36 8.276 -13.258 1.926 1.00 0.00 C ATOM 538 CD GLU A 36 7.512 -14.036 2.980 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.134 -15.194 2.707 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.292 -13.485 4.079 1.00 0.00 O ATOM 0 H GLU A 36 8.650 -14.726 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 36 6.107 -14.594 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.038 -12.409 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.667 -12.162 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.127 -13.850 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.678 -12.348 2.372 1.00 0.00 H new ATOM 547 N PHE A 37 6.361 -13.151 -2.114 1.00 0.00 N ATOM 548 CA PHE A 37 5.586 -12.664 -3.249 1.00 0.00 C ATOM 549 C PHE A 37 4.460 -13.634 -3.594 1.00 0.00 C ATOM 550 O PHE A 37 3.359 -13.219 -3.955 1.00 0.00 O ATOM 551 CB PHE A 37 6.492 -12.464 -4.465 1.00 0.00 C ATOM 552 CG PHE A 37 7.078 -11.084 -4.556 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.372 -10.055 -5.158 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.335 -10.815 -4.038 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.909 -8.785 -5.244 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.877 -9.546 -4.120 1.00 0.00 C ATOM 557 CZ PHE A 37 8.162 -8.529 -4.723 1.00 0.00 C ATOM 0 H PHE A 37 7.372 -13.103 -2.242 1.00 0.00 H new ATOM 0 HA PHE A 37 5.146 -11.706 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.302 -13.192 -4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.921 -12.668 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.390 -10.248 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.898 -11.606 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.349 -7.993 -5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.858 -9.350 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.582 -7.536 -4.787 1.00 0.00 H new ATOM 567 N GLU A 38 4.745 -14.927 -3.481 1.00 0.00 N ATOM 568 CA GLU A 38 3.756 -15.956 -3.783 1.00 0.00 C ATOM 569 C GLU A 38 2.522 -15.800 -2.899 1.00 0.00 C ATOM 570 O GLU A 38 1.395 -15.998 -3.351 1.00 0.00 O ATOM 571 CB GLU A 38 4.362 -17.348 -3.592 1.00 0.00 C ATOM 572 CG GLU A 38 5.192 -17.818 -4.774 1.00 0.00 C ATOM 573 CD GLU A 38 4.389 -17.890 -6.059 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.283 -18.469 -6.036 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.868 -17.367 -7.087 1.00 0.00 O ATOM 0 H GLU A 38 5.652 -15.287 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 38 3.453 -15.839 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.987 -17.343 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.559 -18.064 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.034 -17.141 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.607 -18.802 -4.554 1.00 0.00 H new ATOM 582 N GLN A 39 2.746 -15.446 -1.638 1.00 0.00 N ATOM 583 CA GLN A 39 1.652 -15.265 -0.690 1.00 0.00 C ATOM 584 C GLN A 39 0.628 -14.269 -1.224 1.00 0.00 C ATOM 585 O GLN A 39 -0.579 -14.472 -1.091 1.00 0.00 O ATOM 586 CB GLN A 39 2.192 -14.786 0.658 1.00 0.00 C ATOM 587 CG GLN A 39 3.171 -15.756 1.301 1.00 0.00 C ATOM 588 CD GLN A 39 3.252 -15.591 2.806 1.00 0.00 C ATOM 589 OE1 GLN A 39 2.486 -16.201 3.552 1.00 0.00 O ATOM 590 NE2 GLN A 39 4.185 -14.762 3.261 1.00 0.00 N ATOM 0 H GLN A 39 3.674 -15.279 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 39 1.159 -16.228 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.684 -13.823 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.356 -14.623 1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.871 -16.777 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.161 -15.607 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.799 -14.277 2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.287 -14.611 4.265 1.00 0.00 H new ATOM 599 N LEU A 40 1.118 -13.192 -1.829 1.00 0.00 N ATOM 600 CA LEU A 40 0.245 -12.163 -2.384 1.00 0.00 C ATOM 601 C LEU A 40 -0.373 -12.625 -3.700 1.00 0.00 C ATOM 602 O LEU A 40 -1.564 -12.427 -3.941 1.00 0.00 O ATOM 603 CB LEU A 40 1.026 -10.867 -2.601 1.00 0.00 C ATOM 604 CG LEU A 40 1.560 -10.185 -1.341 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.803 -9.369 -1.660 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.488 -9.305 -0.716 1.00 0.00 C ATOM 0 H LEU A 40 2.114 -13.009 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.559 -11.980 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.868 -11.080 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.382 -10.162 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 40 1.833 -10.957 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.168 -8.891 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.576 -10.025 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.557 -8.605 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.886 -8.828 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.183 -8.540 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.374 -9.916 -0.449 1.00 0.00 H new ATOM 618 N SER A 41 0.444 -13.243 -4.547 1.00 0.00 N ATOM 619 CA SER A 41 -0.022 -13.731 -5.840 1.00 0.00 C ATOM 620 C SER A 41 -1.129 -14.766 -5.663 1.00 0.00 C ATOM 621 O SER A 41 -2.043 -14.859 -6.480 1.00 0.00 O ATOM 622 CB SER A 41 1.140 -14.340 -6.627 1.00 0.00 C ATOM 623 OG SER A 41 0.677 -15.306 -7.555 1.00 0.00 O ATOM 0 H SER A 41 1.432 -13.418 -4.361 1.00 0.00 H new ATOM 0 HA SER A 41 -0.425 -12.885 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.678 -13.553 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.847 -14.802 -5.938 1.00 0.00 H new ATOM 0 HG SER A 41 0.153 -14.863 -8.255 1.00 0.00 H new ATOM 629 N ASN A 42 -1.038 -15.542 -4.587 1.00 0.00 N ATOM 630 CA ASN A 42 -2.031 -16.571 -4.302 1.00 0.00 C ATOM 631 C ASN A 42 -3.297 -15.957 -3.713 1.00 0.00 C ATOM 632 O ASN A 42 -4.406 -16.427 -3.971 1.00 0.00 O ATOM 633 CB ASN A 42 -1.456 -17.609 -3.335 1.00 0.00 C ATOM 634 CG ASN A 42 -0.608 -18.649 -4.041 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.126 -19.509 -4.755 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.703 -18.576 -3.844 1.00 0.00 N ATOM 0 H ASN A 42 -0.288 -15.478 -3.899 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.290 -17.062 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.853 -17.104 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.273 -18.105 -2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.324 -19.249 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.089 -17.847 -3.244 1.00 0.00 H new ATOM 643 N LEU A 43 -3.124 -14.905 -2.920 1.00 0.00 N ATOM 644 CA LEU A 43 -4.253 -14.225 -2.294 1.00 0.00 C ATOM 645 C LEU A 43 -5.031 -13.405 -3.318 1.00 0.00 C ATOM 646 O LEU A 43 -6.228 -13.617 -3.519 1.00 0.00 O ATOM 647 CB LEU A 43 -3.764 -13.318 -1.164 1.00 0.00 C ATOM 648 CG LEU A 43 -4.743 -12.240 -0.696 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.035 -12.871 -0.202 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.114 -11.385 0.394 1.00 0.00 C ATOM 0 H LEU A 43 -2.213 -14.504 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.919 -14.983 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.507 -13.943 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.845 -12.830 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.978 -11.597 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.719 -12.089 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.495 -13.439 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.818 -13.538 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.825 -10.623 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.849 -12.015 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.217 -10.903 0.006 1.00 0.00 H new ATOM 662 N LEU A 44 -4.344 -12.471 -3.966 1.00 0.00 N ATOM 663 CA LEU A 44 -4.970 -11.620 -4.972 1.00 0.00 C ATOM 664 C LEU A 44 -5.140 -12.370 -6.289 1.00 0.00 C ATOM 665 O LEU A 44 -5.809 -11.893 -7.205 1.00 0.00 O ATOM 666 CB LEU A 44 -4.133 -10.359 -5.194 1.00 0.00 C ATOM 667 CG LEU A 44 -3.804 -9.543 -3.944 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.725 -8.515 -4.246 1.00 0.00 C ATOM 669 CD2 LEU A 44 -5.054 -8.864 -3.405 1.00 0.00 C ATOM 0 H LEU A 44 -3.353 -12.284 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.957 -11.334 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.197 -10.648 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.663 -9.714 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.426 -10.222 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.504 -7.944 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.822 -9.024 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.074 -7.840 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.800 -8.288 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.462 -8.197 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.797 -9.620 -3.148 1.00 0.00 H new ATOM 681 N ASN A 45 -4.531 -13.548 -6.377 1.00 0.00 N ATOM 682 CA ASN A 45 -4.617 -14.365 -7.582 1.00 0.00 C ATOM 683 C ASN A 45 -3.920 -13.681 -8.754 1.00 0.00 C ATOM 684 O ASN A 45 -4.319 -13.843 -9.908 1.00 0.00 O ATOM 685 CB ASN A 45 -6.080 -14.640 -7.934 1.00 0.00 C ATOM 686 CG ASN A 45 -6.228 -15.715 -8.994 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.620 -15.435 -10.126 1.00 0.00 O ATOM 688 ND2 ASN A 45 -5.914 -16.952 -8.629 1.00 0.00 N ATOM 0 H ASN A 45 -3.973 -13.958 -5.628 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.114 -15.312 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.616 -14.944 -7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.545 -13.719 -8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.994 -17.717 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.593 -17.137 -7.679 1.00 0.00 H new ATOM 695 N LEU A 46 -2.876 -12.918 -8.450 1.00 0.00 N ATOM 696 CA LEU A 46 -2.122 -12.209 -9.478 1.00 0.00 C ATOM 697 C LEU A 46 -0.706 -12.763 -9.594 1.00 0.00 C ATOM 698 O LEU A 46 -0.123 -13.253 -8.626 1.00 0.00 O ATOM 699 CB LEU A 46 -2.071 -10.713 -9.161 1.00 0.00 C ATOM 700 CG LEU A 46 -3.422 -10.004 -9.052 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.233 -8.564 -8.602 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.160 -10.057 -10.381 1.00 0.00 C ATOM 0 H LEU A 46 -2.532 -12.774 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.630 -12.355 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.536 -10.579 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.485 -10.218 -9.935 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.024 -10.521 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.204 -8.075 -8.530 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.746 -8.548 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.613 -8.035 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.119 -9.548 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.563 -9.565 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.328 -11.096 -10.663 1.00 0.00 H new ATOM 714 N PRO A 47 -0.137 -12.684 -10.806 1.00 0.00 N ATOM 715 CA PRO A 47 1.219 -13.171 -11.077 1.00 0.00 C ATOM 716 C PRO A 47 2.288 -12.311 -10.411 1.00 0.00 C ATOM 717 O PRO A 47 2.247 -11.082 -10.486 1.00 0.00 O ATOM 718 CB PRO A 47 1.331 -13.078 -12.601 1.00 0.00 C ATOM 719 CG PRO A 47 0.361 -12.016 -12.988 1.00 0.00 C ATOM 720 CD PRO A 47 -0.773 -12.113 -12.005 1.00 0.00 C ATOM 0 HA PRO A 47 1.377 -14.175 -10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.344 -12.820 -12.908 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.087 -14.029 -13.075 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.826 -11.031 -12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.007 -12.164 -14.008 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.212 -11.137 -11.801 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.574 -12.751 -12.377 1.00 0.00 H new ATOM 728 N THR A 48 3.245 -12.964 -9.760 1.00 0.00 N ATOM 729 CA THR A 48 4.325 -12.259 -9.080 1.00 0.00 C ATOM 730 C THR A 48 4.924 -11.178 -9.973 1.00 0.00 C ATOM 731 O THR A 48 5.221 -10.075 -9.514 1.00 0.00 O ATOM 732 CB THR A 48 5.442 -13.227 -8.646 1.00 0.00 C ATOM 733 OG1 THR A 48 5.673 -14.200 -9.671 1.00 0.00 O ATOM 734 CG2 THR A 48 5.075 -13.929 -7.347 1.00 0.00 C ATOM 0 H THR A 48 3.294 -13.980 -9.689 1.00 0.00 H new ATOM 0 HA THR A 48 3.891 -11.796 -8.194 1.00 0.00 H new ATOM 0 HB THR A 48 6.351 -12.648 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.386 -14.810 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.879 -14.607 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.928 -13.188 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.155 -14.496 -7.487 1.00 0.00 H new ATOM 742 N ARG A 49 5.097 -11.501 -11.250 1.00 0.00 N ATOM 743 CA ARG A 49 5.661 -10.557 -12.208 1.00 0.00 C ATOM 744 C ARG A 49 4.919 -9.224 -12.157 1.00 0.00 C ATOM 745 O ARG A 49 5.507 -8.166 -12.384 1.00 0.00 O ATOM 746 CB ARG A 49 5.599 -11.134 -13.623 1.00 0.00 C ATOM 747 CG ARG A 49 4.275 -10.882 -14.326 1.00 0.00 C ATOM 748 CD ARG A 49 4.297 -9.575 -15.103 1.00 0.00 C ATOM 749 NE ARG A 49 4.845 -9.747 -16.447 1.00 0.00 N ATOM 750 CZ ARG A 49 4.129 -10.167 -17.484 1.00 0.00 C ATOM 751 NH1 ARG A 49 2.844 -10.458 -17.333 1.00 0.00 N ATOM 752 NH2 ARG A 49 4.699 -10.298 -18.675 1.00 0.00 N ATOM 0 H ARG A 49 4.855 -12.409 -11.646 1.00 0.00 H new ATOM 0 HA ARG A 49 6.703 -10.384 -11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.404 -10.703 -14.218 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.777 -12.208 -13.576 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.060 -11.707 -15.005 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.471 -10.856 -13.591 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.285 -9.177 -15.172 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.892 -8.840 -14.560 1.00 0.00 H new ATOM 0 HE ARG A 49 5.831 -9.533 -16.597 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.403 -10.360 -16.419 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.297 -10.780 -18.131 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.687 -10.076 -18.795 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.149 -10.621 -19.471 1.00 0.00 H new ATOM 766 N VAL A 50 3.625 -9.283 -11.860 1.00 0.00 N ATOM 767 CA VAL A 50 2.804 -8.082 -11.779 1.00 0.00 C ATOM 768 C VAL A 50 2.996 -7.372 -10.444 1.00 0.00 C ATOM 769 O VAL A 50 3.005 -6.143 -10.378 1.00 0.00 O ATOM 770 CB VAL A 50 1.310 -8.410 -11.963 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.445 -7.267 -11.453 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.006 -8.708 -13.423 1.00 0.00 C ATOM 0 H VAL A 50 3.123 -10.151 -11.671 1.00 0.00 H new ATOM 0 HA VAL A 50 3.127 -7.424 -12.586 1.00 0.00 H new ATOM 0 HB VAL A 50 1.077 -9.300 -11.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.607 -7.517 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.643 -7.105 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.678 -6.359 -12.008 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.054 -8.938 -13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.255 -7.838 -14.031 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.599 -9.562 -13.751 1.00 0.00 H new ATOM 782 N ILE A 51 3.151 -8.155 -9.381 1.00 0.00 N ATOM 783 CA ILE A 51 3.346 -7.602 -8.047 1.00 0.00 C ATOM 784 C ILE A 51 4.755 -7.042 -7.884 1.00 0.00 C ATOM 785 O ILE A 51 4.986 -6.134 -7.086 1.00 0.00 O ATOM 786 CB ILE A 51 3.096 -8.660 -6.957 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.804 -9.427 -7.246 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.033 -8.003 -5.586 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.605 -10.634 -6.356 1.00 0.00 C ATOM 0 H ILE A 51 3.145 -9.174 -9.418 1.00 0.00 H new ATOM 0 HA ILE A 51 2.622 -6.795 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 51 3.925 -9.368 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.956 -8.753 -7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.808 -9.750 -8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.856 -8.764 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.977 -7.498 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.221 -7.276 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.669 -11.129 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.434 -11.329 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.568 -10.316 -5.314 1.00 0.00 H new ATOM 801 N VAL A 52 5.695 -7.591 -8.647 1.00 0.00 N ATOM 802 CA VAL A 52 7.082 -7.145 -8.590 1.00 0.00 C ATOM 803 C VAL A 52 7.232 -5.739 -9.160 1.00 0.00 C ATOM 804 O VAL A 52 7.801 -4.855 -8.520 1.00 0.00 O ATOM 805 CB VAL A 52 8.011 -8.102 -9.361 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.438 -7.575 -9.362 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.950 -9.499 -8.764 1.00 0.00 C ATOM 0 H VAL A 52 5.521 -8.345 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 52 7.370 -7.139 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 52 7.669 -8.159 -10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.080 -8.264 -9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.464 -6.596 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.794 -7.487 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.612 -10.162 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.265 -9.463 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.928 -9.875 -8.821 1.00 0.00 H new ATOM 817 N VAL A 53 6.717 -5.539 -10.369 1.00 0.00 N ATOM 818 CA VAL A 53 6.791 -4.240 -11.026 1.00 0.00 C ATOM 819 C VAL A 53 6.176 -3.149 -10.158 1.00 0.00 C ATOM 820 O VAL A 53 6.697 -2.036 -10.079 1.00 0.00 O ATOM 821 CB VAL A 53 6.076 -4.259 -12.391 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.087 -2.874 -13.019 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.723 -5.278 -13.316 1.00 0.00 C ATOM 0 H VAL A 53 6.244 -6.260 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 53 7.848 -4.024 -11.181 1.00 0.00 H new ATOM 0 HB VAL A 53 5.038 -4.552 -12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.578 -2.907 -13.982 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.574 -2.172 -12.361 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.117 -2.549 -13.164 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.206 -5.278 -14.275 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.770 -5.018 -13.468 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.657 -6.269 -12.868 1.00 0.00 H new ATOM 833 N TRP A 54 5.065 -3.474 -9.508 1.00 0.00 N ATOM 834 CA TRP A 54 4.378 -2.521 -8.643 1.00 0.00 C ATOM 835 C TRP A 54 5.215 -2.204 -7.409 1.00 0.00 C ATOM 836 O TRP A 54 5.325 -1.047 -7.002 1.00 0.00 O ATOM 837 CB TRP A 54 3.015 -3.073 -8.223 1.00 0.00 C ATOM 838 CG TRP A 54 2.187 -2.089 -7.453 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.150 -1.340 -7.931 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.328 -1.746 -6.070 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.638 -0.552 -6.929 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.343 -0.783 -5.777 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.189 -2.160 -5.051 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.198 -0.229 -4.508 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.045 -1.609 -3.792 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.055 -0.652 -3.529 1.00 0.00 C ATOM 0 H TRP A 54 4.620 -4.390 -9.563 1.00 0.00 H new ATOM 0 HA TRP A 54 4.231 -1.599 -9.205 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.466 -3.381 -9.113 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.164 -3.966 -7.615 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.786 -1.364 -8.947 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.141 0.099 -7.027 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.954 -2.898 -5.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.436 0.509 -4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.706 -1.921 -2.997 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.967 -0.241 -2.534 1.00 0.00 H new ATOM 857 N PHE A 55 5.803 -3.238 -6.817 1.00 0.00 N ATOM 858 CA PHE A 55 6.630 -3.069 -5.628 1.00 0.00 C ATOM 859 C PHE A 55 7.918 -2.323 -5.962 1.00 0.00 C ATOM 860 O PHE A 55 8.398 -1.509 -5.174 1.00 0.00 O ATOM 861 CB PHE A 55 6.961 -4.431 -5.013 1.00 0.00 C ATOM 862 CG PHE A 55 5.963 -4.885 -3.987 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.639 -5.098 -4.337 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.347 -5.097 -2.673 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.717 -5.516 -3.395 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.430 -5.516 -1.728 1.00 0.00 C ATOM 867 CZ PHE A 55 4.113 -5.724 -2.089 1.00 0.00 C ATOM 0 H PHE A 55 5.722 -4.202 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 55 6.066 -2.479 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.017 -5.175 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.947 -4.382 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.324 -4.936 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.375 -4.933 -2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.688 -5.680 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.743 -5.681 -0.708 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.395 -6.049 -1.351 1.00 0.00 H new ATOM 877 N GLN A 56 8.471 -2.606 -7.137 1.00 0.00 N ATOM 878 CA GLN A 56 9.703 -1.963 -7.576 1.00 0.00 C ATOM 879 C GLN A 56 9.525 -0.451 -7.670 1.00 0.00 C ATOM 880 O GLN A 56 10.294 0.312 -7.088 1.00 0.00 O ATOM 881 CB GLN A 56 10.141 -2.521 -8.931 1.00 0.00 C ATOM 882 CG GLN A 56 10.857 -3.859 -8.835 1.00 0.00 C ATOM 883 CD GLN A 56 11.817 -4.091 -9.985 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.176 -3.160 -10.707 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.239 -5.337 -10.162 1.00 0.00 N ATOM 0 H GLN A 56 8.085 -3.276 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 56 10.476 -2.175 -6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.264 -2.632 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.799 -1.800 -9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.405 -3.907 -7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.119 -4.661 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.916 -6.078 -9.540 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.886 -5.553 -10.920 1.00 0.00 H new ATOM 894 N ASN A 57 8.504 -0.025 -8.407 1.00 0.00 N ATOM 895 CA ASN A 57 8.225 1.396 -8.578 1.00 0.00 C ATOM 896 C ASN A 57 7.920 2.056 -7.236 1.00 0.00 C ATOM 897 O ASN A 57 8.494 3.090 -6.897 1.00 0.00 O ATOM 898 CB ASN A 57 7.049 1.595 -9.536 1.00 0.00 C ATOM 899 CG ASN A 57 7.444 1.395 -10.986 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.561 2.356 -11.747 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.651 0.143 -11.376 1.00 0.00 N ATOM 0 H ASN A 57 7.856 -0.644 -8.895 1.00 0.00 H new ATOM 0 HA ASN A 57 9.113 1.867 -9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.253 0.896 -9.280 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.645 2.599 -9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.919 -0.053 -12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.543 -0.623 -10.711 1.00 0.00 H new ATOM 908 N ALA A 58 7.014 1.449 -6.477 1.00 0.00 N ATOM 909 CA ALA A 58 6.635 1.975 -5.172 1.00 0.00 C ATOM 910 C ALA A 58 7.861 2.416 -4.380 1.00 0.00 C ATOM 911 O ALA A 58 7.837 3.441 -3.700 1.00 0.00 O ATOM 912 CB ALA A 58 5.846 0.933 -4.392 1.00 0.00 C ATOM 0 H ALA A 58 6.529 0.592 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 58 6.004 2.850 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.569 1.339 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.944 0.670 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.459 0.042 -4.252 1.00 0.00 H new ATOM 918 N ARG A 59 8.932 1.634 -4.473 1.00 0.00 N ATOM 919 CA ARG A 59 10.167 1.943 -3.763 1.00 0.00 C ATOM 920 C ARG A 59 10.835 3.183 -4.350 1.00 0.00 C ATOM 921 O ARG A 59 11.330 4.038 -3.616 1.00 0.00 O ATOM 922 CB ARG A 59 11.128 0.755 -3.828 1.00 0.00 C ATOM 923 CG ARG A 59 10.686 -0.433 -2.988 1.00 0.00 C ATOM 924 CD ARG A 59 11.850 -1.362 -2.680 1.00 0.00 C ATOM 925 NE ARG A 59 12.504 -1.841 -3.895 1.00 0.00 N ATOM 926 CZ ARG A 59 12.055 -2.861 -4.618 1.00 0.00 C ATOM 927 NH1 ARG A 59 10.957 -3.506 -4.251 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.706 -3.238 -5.711 1.00 0.00 N ATOM 0 H ARG A 59 8.969 0.782 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 59 9.918 2.144 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.230 0.438 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.114 1.078 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.246 -0.077 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.909 -0.985 -3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.577 -0.839 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.491 -2.213 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 59 13.352 -1.366 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.454 -3.220 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.615 -4.289 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.552 -2.745 -5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.361 -4.021 -6.266 1.00 0.00 H new