USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 411 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 12 THR OG1 : rot 33:sc= 0.137 USER MOD Single : A 14 TYR OH : rot 127:sc= 0.0133 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -3.61! C(o=-3.6!,f=-4.7!) USER MOD Single : A 23 GLN : amide:sc= -0.0318 K(o=-0.032,f=-0.86) USER MOD Single : A 27 GLN : amide:sc= 0.0498 K(o=0.05,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00272) USER MOD Single : A 29 THR OG1 : rot -113:sc= 0.302 USER MOD Single : A 30 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.34) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= -0.329 (180deg=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.451 12.300 -5.246 1.00 0.00 N ATOM 151 CA THR A 12 0.234 11.116 -4.745 1.00 0.00 C ATOM 152 C THR A 12 -0.122 9.884 -5.569 1.00 0.00 C ATOM 153 O THR A 12 -1.212 9.799 -6.136 1.00 0.00 O ATOM 154 CB THR A 12 -0.113 10.849 -3.268 1.00 0.00 C ATOM 155 OG1 THR A 12 0.127 12.026 -2.488 1.00 0.00 O ATOM 156 CG2 THR A 12 0.712 9.695 -2.718 1.00 0.00 C ATOM 0 HA THR A 12 1.303 11.310 -4.830 1.00 0.00 H new ATOM 0 HB THR A 12 -1.168 10.582 -3.209 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.055 12.821 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.449 9.525 -1.674 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.506 8.793 -3.295 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.772 9.938 -2.791 1.00 0.00 H new ATOM 164 N ILE A 13 0.802 8.931 -5.630 1.00 0.00 N ATOM 165 CA ILE A 13 0.583 7.703 -6.384 1.00 0.00 C ATOM 166 C ILE A 13 -0.751 7.063 -6.017 1.00 0.00 C ATOM 167 O ILE A 13 -1.269 6.220 -6.750 1.00 0.00 O ATOM 168 CB ILE A 13 1.713 6.684 -6.140 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.070 7.305 -6.474 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.481 5.429 -6.967 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.186 7.771 -7.909 1.00 0.00 C ATOM 0 H ILE A 13 1.709 8.986 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 13 0.573 7.978 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 13 1.711 6.407 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.246 8.152 -5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.854 6.575 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.287 4.719 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.529 4.978 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.460 5.689 -8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.174 8.200 -8.073 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.042 6.924 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.425 8.525 -8.109 1.00 0.00 H new ATOM 183 N TYR A 14 -1.304 7.471 -4.880 1.00 0.00 N ATOM 184 CA TYR A 14 -2.579 6.937 -4.415 1.00 0.00 C ATOM 185 C TYR A 14 -3.443 8.039 -3.811 1.00 0.00 C ATOM 186 O TYR A 14 -2.936 8.957 -3.165 1.00 0.00 O ATOM 187 CB TYR A 14 -2.347 5.832 -3.384 1.00 0.00 C ATOM 188 CG TYR A 14 -1.903 4.520 -3.991 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.607 4.353 -4.463 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.781 3.447 -4.093 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.198 3.156 -5.019 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.380 2.246 -4.646 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.088 2.106 -5.109 1.00 0.00 C ATOM 194 OH TYR A 14 -0.684 0.912 -5.661 1.00 0.00 O ATOM 0 H TYR A 14 -0.889 8.170 -4.263 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.104 6.519 -5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.594 6.165 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.268 5.670 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.093 5.173 -4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.794 3.554 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.813 3.043 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.074 1.421 -4.715 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.882 0.181 -5.040 1.00 0.00 H new ATOM 204 N SER A 15 -4.751 7.941 -4.025 1.00 0.00 N ATOM 205 CA SER A 15 -5.687 8.931 -3.504 1.00 0.00 C ATOM 206 C SER A 15 -5.807 8.820 -1.987 1.00 0.00 C ATOM 207 O SER A 15 -5.410 7.817 -1.394 1.00 0.00 O ATOM 208 CB SER A 15 -7.062 8.752 -4.151 1.00 0.00 C ATOM 209 OG SER A 15 -7.851 9.920 -4.001 1.00 0.00 O ATOM 0 H SER A 15 -5.187 7.187 -4.555 1.00 0.00 H new ATOM 0 HA SER A 15 -5.304 9.922 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.942 8.523 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.573 7.903 -3.697 1.00 0.00 H new ATOM 0 HG SER A 15 -8.724 9.782 -4.424 1.00 0.00 H new ATOM 215 N SER A 16 -6.358 9.857 -1.366 1.00 0.00 N ATOM 216 CA SER A 16 -6.528 9.879 0.082 1.00 0.00 C ATOM 217 C SER A 16 -7.500 8.793 0.532 1.00 0.00 C ATOM 218 O SER A 16 -7.305 8.159 1.569 1.00 0.00 O ATOM 219 CB SER A 16 -7.032 11.250 0.537 1.00 0.00 C ATOM 220 OG SER A 16 -8.267 11.570 -0.080 1.00 0.00 O ATOM 0 H SER A 16 -6.695 10.694 -1.843 1.00 0.00 H new ATOM 0 HA SER A 16 -5.558 9.686 0.539 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.151 11.256 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.292 12.012 0.293 1.00 0.00 H new ATOM 0 HG SER A 16 -8.569 12.450 0.229 1.00 0.00 H new ATOM 226 N PHE A 17 -8.549 8.583 -0.257 1.00 0.00 N ATOM 227 CA PHE A 17 -9.553 7.573 0.059 1.00 0.00 C ATOM 228 C PHE A 17 -8.941 6.176 0.051 1.00 0.00 C ATOM 229 O PHE A 17 -9.166 5.384 0.966 1.00 0.00 O ATOM 230 CB PHE A 17 -10.708 7.642 -0.942 1.00 0.00 C ATOM 231 CG PHE A 17 -11.422 6.333 -1.125 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.110 5.752 -0.072 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.405 5.685 -2.349 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.767 4.547 -0.237 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.061 4.480 -2.520 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.743 3.911 -1.463 1.00 0.00 C ATOM 0 H PHE A 17 -8.726 9.098 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.935 7.777 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.423 8.393 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.323 7.975 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.133 6.246 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.873 6.126 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.299 4.103 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.040 3.984 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.257 2.970 -1.594 1.00 0.00 H new ATOM 246 N GLN A 18 -8.167 5.881 -0.988 1.00 0.00 N ATOM 247 CA GLN A 18 -7.523 4.579 -1.116 1.00 0.00 C ATOM 248 C GLN A 18 -6.444 4.399 -0.054 1.00 0.00 C ATOM 249 O GLN A 18 -6.330 3.335 0.556 1.00 0.00 O ATOM 250 CB GLN A 18 -6.915 4.422 -2.510 1.00 0.00 C ATOM 251 CG GLN A 18 -7.949 4.374 -3.624 1.00 0.00 C ATOM 252 CD GLN A 18 -7.321 4.269 -4.999 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.170 4.658 -5.201 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.075 3.740 -5.956 1.00 0.00 N ATOM 0 H GLN A 18 -7.970 6.526 -1.753 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.282 3.810 -0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.232 5.251 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.321 3.508 -2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.610 3.522 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.568 5.270 -3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.024 3.430 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.705 3.643 -6.902 1.00 0.00 H new ATOM 263 N LEU A 19 -5.653 5.444 0.162 1.00 0.00 N ATOM 264 CA LEU A 19 -4.582 5.402 1.151 1.00 0.00 C ATOM 265 C LEU A 19 -5.143 5.187 2.553 1.00 0.00 C ATOM 266 O LEU A 19 -4.806 4.213 3.225 1.00 0.00 O ATOM 267 CB LEU A 19 -3.769 6.697 1.107 1.00 0.00 C ATOM 268 CG LEU A 19 -2.624 6.737 0.094 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.770 7.978 0.302 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.775 5.479 0.198 1.00 0.00 C ATOM 0 H LEU A 19 -5.733 6.331 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.930 4.563 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.448 7.522 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.356 6.877 2.099 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.052 6.780 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.960 7.989 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.385 8.869 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.351 7.967 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.965 5.525 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.356 5.404 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.394 4.605 -0.003 1.00 0.00 H new ATOM 282 N ALA A 20 -6.002 6.104 2.988 1.00 0.00 N ATOM 283 CA ALA A 20 -6.613 6.013 4.308 1.00 0.00 C ATOM 284 C ALA A 20 -6.856 4.560 4.701 1.00 0.00 C ATOM 285 O ALA A 20 -6.302 4.072 5.686 1.00 0.00 O ATOM 286 CB ALA A 20 -7.917 6.796 4.341 1.00 0.00 C ATOM 0 H ALA A 20 -6.290 6.918 2.445 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.923 6.447 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.362 6.719 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.719 7.843 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.606 6.387 3.601 1.00 0.00 H new ATOM 292 N ALA A 21 -7.690 3.873 3.926 1.00 0.00 N ATOM 293 CA ALA A 21 -8.005 2.476 4.192 1.00 0.00 C ATOM 294 C ALA A 21 -6.750 1.610 4.145 1.00 0.00 C ATOM 295 O ALA A 21 -6.529 0.771 5.019 1.00 0.00 O ATOM 296 CB ALA A 21 -9.037 1.968 3.196 1.00 0.00 C ATOM 0 H ALA A 21 -8.159 4.263 3.109 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.422 2.409 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.263 0.923 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.948 2.560 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.641 2.057 2.184 1.00 0.00 H new ATOM 302 N LEU A 22 -5.932 1.819 3.119 1.00 0.00 N ATOM 303 CA LEU A 22 -4.699 1.058 2.957 1.00 0.00 C ATOM 304 C LEU A 22 -3.841 1.135 4.217 1.00 0.00 C ATOM 305 O LEU A 22 -3.650 0.137 4.910 1.00 0.00 O ATOM 306 CB LEU A 22 -3.908 1.579 1.756 1.00 0.00 C ATOM 307 CG LEU A 22 -4.409 1.138 0.380 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.729 1.941 -0.718 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.174 -0.351 0.179 1.00 0.00 C ATOM 0 H LEU A 22 -6.101 2.509 2.387 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.966 0.015 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.911 2.668 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.871 1.259 1.863 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.481 1.326 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.098 1.613 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.950 3.000 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.651 1.786 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.537 -0.647 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.108 -0.564 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.709 -0.911 0.946 1.00 0.00 H new ATOM 321 N GLN A 23 -3.330 2.327 4.506 1.00 0.00 N ATOM 322 CA GLN A 23 -2.495 2.534 5.683 1.00 0.00 C ATOM 323 C GLN A 23 -3.197 2.039 6.943 1.00 0.00 C ATOM 324 O GLN A 23 -2.572 1.441 7.819 1.00 0.00 O ATOM 325 CB GLN A 23 -2.143 4.016 5.831 1.00 0.00 C ATOM 326 CG GLN A 23 -0.967 4.450 4.971 1.00 0.00 C ATOM 327 CD GLN A 23 -0.374 5.772 5.418 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.266 6.044 6.614 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.014 6.602 4.457 1.00 0.00 N ATOM 0 H GLN A 23 -3.479 3.164 3.942 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.577 1.961 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.015 4.616 5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.915 4.224 6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.195 3.681 5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.292 4.534 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.094 6.335 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.420 7.506 4.697 1.00 0.00 H new ATOM 338 N ARG A 24 -4.499 2.291 7.027 1.00 0.00 N ATOM 339 CA ARG A 24 -5.286 1.872 8.181 1.00 0.00 C ATOM 340 C ARG A 24 -5.301 0.351 8.305 1.00 0.00 C ATOM 341 O ARG A 24 -5.493 -0.191 9.394 1.00 0.00 O ATOM 342 CB ARG A 24 -6.718 2.399 8.068 1.00 0.00 C ATOM 343 CG ARG A 24 -6.912 3.773 8.688 1.00 0.00 C ATOM 344 CD ARG A 24 -8.379 4.053 8.975 1.00 0.00 C ATOM 345 NE ARG A 24 -9.136 4.310 7.753 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.439 4.566 7.736 1.00 0.00 C ATOM 347 NH1 ARG A 24 -11.126 4.599 8.870 1.00 0.00 N ATOM 348 NH2 ARG A 24 -11.058 4.789 6.584 1.00 0.00 N ATOM 0 H ARG A 24 -5.031 2.783 6.310 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.823 2.288 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.998 2.442 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.395 1.693 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.340 3.840 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.520 4.536 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.815 3.202 9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.461 4.913 9.640 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.637 4.292 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.654 4.428 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.127 4.796 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.533 4.764 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.059 4.985 6.572 1.00 0.00 H new ATOM 362 N ARG A 25 -5.097 -0.331 7.183 1.00 0.00 N ATOM 363 CA ARG A 25 -5.089 -1.789 7.166 1.00 0.00 C ATOM 364 C ARG A 25 -3.679 -2.327 7.391 1.00 0.00 C ATOM 365 O ARG A 25 -3.493 -3.354 8.044 1.00 0.00 O ATOM 366 CB ARG A 25 -5.638 -2.307 5.835 1.00 0.00 C ATOM 367 CG ARG A 25 -5.719 -3.823 5.759 1.00 0.00 C ATOM 368 CD ARG A 25 -6.793 -4.371 6.685 1.00 0.00 C ATOM 369 NE ARG A 25 -8.104 -4.409 6.041 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.211 -4.815 6.652 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.167 -5.214 7.915 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.366 -4.820 5.998 1.00 0.00 N ATOM 0 H ARG A 25 -4.935 0.102 6.274 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.727 -2.141 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.632 -1.890 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.006 -1.944 5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.932 -4.126 4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.754 -4.254 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.517 -5.376 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.847 -3.754 7.582 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.173 -4.107 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.281 -5.210 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.019 -5.525 8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.403 -4.512 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.216 -5.132 6.467 1.00 0.00 H new ATOM 386 N PHE A 26 -2.690 -1.627 6.847 1.00 0.00 N ATOM 387 CA PHE A 26 -1.297 -2.035 6.987 1.00 0.00 C ATOM 388 C PHE A 26 -0.872 -2.025 8.453 1.00 0.00 C ATOM 389 O PHE A 26 -0.291 -2.991 8.947 1.00 0.00 O ATOM 390 CB PHE A 26 -0.388 -1.110 6.175 1.00 0.00 C ATOM 391 CG PHE A 26 1.069 -1.460 6.278 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.801 -1.109 7.401 1.00 0.00 C ATOM 393 CD2 PHE A 26 1.707 -2.139 5.253 1.00 0.00 C ATOM 394 CE1 PHE A 26 3.142 -1.429 7.498 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.047 -2.462 5.344 1.00 0.00 C ATOM 396 CZ PHE A 26 3.766 -2.107 6.469 1.00 0.00 C ATOM 0 H PHE A 26 -2.827 -0.774 6.305 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.203 -3.052 6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.689 -1.146 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.532 -0.084 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.318 -0.580 8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.150 -2.419 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.702 -1.149 8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.532 -2.991 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.814 -2.359 6.544 1.00 0.00 H new ATOM 406 N GLN A 27 -1.167 -0.926 9.140 1.00 0.00 N ATOM 407 CA GLN A 27 -0.814 -0.790 10.549 1.00 0.00 C ATOM 408 C GLN A 27 -1.248 -2.019 11.340 1.00 0.00 C ATOM 409 O GLN A 27 -0.576 -2.431 12.286 1.00 0.00 O ATOM 410 CB GLN A 27 -1.460 0.465 11.138 1.00 0.00 C ATOM 411 CG GLN A 27 -2.978 0.402 11.189 1.00 0.00 C ATOM 412 CD GLN A 27 -3.587 1.580 11.922 1.00 0.00 C ATOM 413 OE1 GLN A 27 -2.923 2.237 12.725 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.857 1.855 11.650 1.00 0.00 N ATOM 0 H GLN A 27 -1.649 -0.118 8.745 1.00 0.00 H new ATOM 0 HA GLN A 27 0.270 -0.700 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.077 0.621 12.147 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.160 1.330 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.371 0.369 10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.283 -0.523 11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.370 1.284 10.978 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.320 2.637 12.113 1.00 0.00 H new ATOM 423 N LYS A 28 -2.376 -2.602 10.947 1.00 0.00 N ATOM 424 CA LYS A 28 -2.901 -3.785 11.619 1.00 0.00 C ATOM 425 C LYS A 28 -2.026 -5.002 11.338 1.00 0.00 C ATOM 426 O LYS A 28 -1.730 -5.789 12.239 1.00 0.00 O ATOM 427 CB LYS A 28 -4.336 -4.060 11.165 1.00 0.00 C ATOM 428 CG LYS A 28 -5.366 -3.157 11.822 1.00 0.00 C ATOM 429 CD LYS A 28 -5.559 -3.508 13.288 1.00 0.00 C ATOM 430 CE LYS A 28 -6.918 -3.050 13.796 1.00 0.00 C ATOM 431 NZ LYS A 28 -7.055 -1.568 13.754 1.00 0.00 N ATOM 0 H LYS A 28 -2.944 -2.274 10.166 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.896 -3.595 12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.396 -3.938 10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.584 -5.099 11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.049 -2.118 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.317 -3.246 11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.464 -4.586 13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.772 -3.043 13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.703 -3.505 13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.060 -3.399 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.981 -1.294 14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.301 -1.133 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.979 -1.240 12.770 1.00 0.00 H new ATOM 445 N THR A 29 -1.612 -5.152 10.083 1.00 0.00 N ATOM 446 CA THR A 29 -0.771 -6.273 9.685 1.00 0.00 C ATOM 447 C THR A 29 -0.047 -5.979 8.376 1.00 0.00 C ATOM 448 O THR A 29 -0.589 -5.315 7.493 1.00 0.00 O ATOM 449 CB THR A 29 -1.595 -7.565 9.524 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.728 -8.665 9.226 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.629 -7.413 8.418 1.00 0.00 C ATOM 0 H THR A 29 -1.846 -4.511 9.325 1.00 0.00 H new ATOM 0 HA THR A 29 -0.038 -6.415 10.479 1.00 0.00 H new ATOM 0 HB THR A 29 -2.116 -7.757 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.899 -8.978 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.198 -8.338 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.305 -6.594 8.662 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.125 -7.199 7.476 1.00 0.00 H new ATOM 459 N GLN A 30 1.179 -6.478 8.258 1.00 0.00 N ATOM 460 CA GLN A 30 1.977 -6.268 7.055 1.00 0.00 C ATOM 461 C GLN A 30 1.510 -7.181 5.926 1.00 0.00 C ATOM 462 O GLN A 30 1.571 -6.814 4.753 1.00 0.00 O ATOM 463 CB GLN A 30 3.457 -6.517 7.350 1.00 0.00 C ATOM 464 CG GLN A 30 4.155 -5.334 8.000 1.00 0.00 C ATOM 465 CD GLN A 30 5.324 -5.753 8.871 1.00 0.00 C ATOM 466 OE1 GLN A 30 5.206 -6.662 9.692 1.00 0.00 O ATOM 467 NE2 GLN A 30 6.460 -5.089 8.696 1.00 0.00 N ATOM 0 H GLN A 30 1.642 -7.030 8.980 1.00 0.00 H new ATOM 0 HA GLN A 30 1.846 -5.233 6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.548 -7.385 8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.968 -6.763 6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.510 -4.655 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.437 -4.780 8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.513 -4.342 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.280 -5.326 9.254 1.00 0.00 H new ATOM 476 N TYR A 31 1.043 -8.371 6.289 1.00 0.00 N ATOM 477 CA TYR A 31 0.568 -9.337 5.306 1.00 0.00 C ATOM 478 C TYR A 31 -0.955 -9.414 5.310 1.00 0.00 C ATOM 479 O TYR A 31 -1.593 -9.289 6.356 1.00 0.00 O ATOM 480 CB TYR A 31 1.161 -10.718 5.590 1.00 0.00 C ATOM 481 CG TYR A 31 2.541 -10.918 5.005 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.556 -9.998 5.238 1.00 0.00 C ATOM 483 CD2 TYR A 31 2.829 -12.027 4.219 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.817 -10.177 4.705 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.089 -12.214 3.683 1.00 0.00 C ATOM 486 CZ TYR A 31 5.079 -11.286 3.928 1.00 0.00 C ATOM 487 OH TYR A 31 6.335 -11.467 3.396 1.00 0.00 O ATOM 0 H TYR A 31 0.983 -8.689 7.256 1.00 0.00 H new ATOM 0 HA TYR A 31 0.894 -9.005 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.208 -10.869 6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.492 -11.480 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.355 -9.128 5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.055 -12.755 4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.595 -9.452 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.297 -13.082 3.075 1.00 0.00 H new ATOM 0 HH TYR A 31 6.353 -12.297 2.875 1.00 0.00 H new ATOM 497 N LEU A 32 -1.533 -9.622 4.132 1.00 0.00 N ATOM 498 CA LEU A 32 -2.983 -9.717 3.997 1.00 0.00 C ATOM 499 C LEU A 32 -3.382 -11.028 3.328 1.00 0.00 C ATOM 500 O LEU A 32 -2.872 -11.374 2.263 1.00 0.00 O ATOM 501 CB LEU A 32 -3.518 -8.535 3.187 1.00 0.00 C ATOM 502 CG LEU A 32 -3.563 -7.190 3.913 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.331 -6.165 3.092 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.190 -7.348 5.291 1.00 0.00 C ATOM 0 H LEU A 32 -1.020 -9.728 3.257 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.419 -9.692 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.902 -8.423 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.526 -8.777 2.850 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.541 -6.833 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.352 -5.214 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.841 -6.030 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.351 -6.516 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.214 -6.381 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.206 -7.728 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.600 -8.049 5.881 1.00 0.00 H new ATOM 516 N ALA A 33 -4.300 -11.753 3.960 1.00 0.00 N ATOM 517 CA ALA A 33 -4.771 -13.024 3.424 1.00 0.00 C ATOM 518 C ALA A 33 -5.353 -12.848 2.026 1.00 0.00 C ATOM 519 O ALA A 33 -5.343 -11.748 1.472 1.00 0.00 O ATOM 520 CB ALA A 33 -5.806 -13.638 4.356 1.00 0.00 C ATOM 0 H ALA A 33 -4.732 -11.482 4.843 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.918 -13.699 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.149 -14.587 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.358 -13.809 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.653 -12.959 4.458 1.00 0.00 H new ATOM 526 N LEU A 34 -5.860 -13.938 1.460 1.00 0.00 N ATOM 527 CA LEU A 34 -6.446 -13.904 0.125 1.00 0.00 C ATOM 528 C LEU A 34 -7.623 -12.936 0.071 1.00 0.00 C ATOM 529 O LEU A 34 -7.626 -11.965 -0.687 1.00 0.00 O ATOM 530 CB LEU A 34 -6.904 -15.304 -0.288 1.00 0.00 C ATOM 531 CG LEU A 34 -8.146 -15.369 -1.179 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.849 -14.784 -2.551 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.638 -16.804 -1.303 1.00 0.00 C ATOM 0 H LEU A 34 -5.877 -14.856 1.905 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.682 -13.558 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.082 -15.794 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.099 -15.882 0.615 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.934 -14.775 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.744 -14.839 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.544 -13.743 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.046 -15.351 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.522 -16.832 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.854 -17.421 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.891 -17.189 -0.315 1.00 0.00 H new ATOM 545 N PRO A 35 -8.647 -13.202 0.895 1.00 0.00 N ATOM 546 CA PRO A 35 -9.848 -12.364 0.962 1.00 0.00 C ATOM 547 C PRO A 35 -9.570 -11.002 1.589 1.00 0.00 C ATOM 548 O PRO A 35 -10.368 -10.074 1.458 1.00 0.00 O ATOM 549 CB PRO A 35 -10.798 -13.175 1.846 1.00 0.00 C ATOM 550 CG PRO A 35 -9.905 -14.024 2.683 1.00 0.00 C ATOM 551 CD PRO A 35 -8.712 -14.342 1.825 1.00 0.00 C ATOM 0 HA PRO A 35 -10.248 -12.145 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.417 -12.524 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.474 -13.784 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.605 -13.499 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.414 -14.935 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.802 -14.429 2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.838 -15.286 1.295 1.00 0.00 H new ATOM 559 N GLU A 36 -8.434 -10.890 2.270 1.00 0.00 N ATOM 560 CA GLU A 36 -8.052 -9.640 2.917 1.00 0.00 C ATOM 561 C GLU A 36 -7.458 -8.663 1.906 1.00 0.00 C ATOM 562 O GLU A 36 -7.816 -7.486 1.881 1.00 0.00 O ATOM 563 CB GLU A 36 -7.045 -9.907 4.038 1.00 0.00 C ATOM 564 CG GLU A 36 -7.686 -10.370 5.335 1.00 0.00 C ATOM 565 CD GLU A 36 -8.727 -11.451 5.117 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.815 -11.132 4.594 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.453 -12.618 5.470 1.00 0.00 O ATOM 0 H GLU A 36 -7.763 -11.649 2.388 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.950 -9.193 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.334 -10.663 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.476 -8.997 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.912 -10.745 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.151 -9.518 5.831 1.00 0.00 H new ATOM 574 N ARG A 37 -6.548 -9.161 1.076 1.00 0.00 N ATOM 575 CA ARG A 37 -5.902 -8.333 0.065 1.00 0.00 C ATOM 576 C ARG A 37 -6.896 -7.922 -1.017 1.00 0.00 C ATOM 577 O ARG A 37 -6.823 -6.817 -1.555 1.00 0.00 O ATOM 578 CB ARG A 37 -4.727 -9.083 -0.566 1.00 0.00 C ATOM 579 CG ARG A 37 -4.114 -8.364 -1.756 1.00 0.00 C ATOM 580 CD ARG A 37 -3.110 -9.246 -2.482 1.00 0.00 C ATOM 581 NE ARG A 37 -3.476 -10.658 -2.421 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.169 -11.453 -1.402 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.494 -10.977 -0.365 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.538 -12.728 -1.419 1.00 0.00 N ATOM 0 H ARG A 37 -6.241 -10.134 1.084 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.529 -7.433 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.957 -9.237 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.065 -10.070 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.902 -8.063 -2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.622 -7.452 -1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.041 -8.934 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.122 -9.108 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.996 -11.056 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.209 -9.998 -0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.260 -11.590 0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.058 -13.098 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.302 -13.338 -0.636 1.00 0.00 H new ATOM 598 N ALA A 38 -7.825 -8.819 -1.332 1.00 0.00 N ATOM 599 CA ALA A 38 -8.835 -8.549 -2.348 1.00 0.00 C ATOM 600 C ALA A 38 -9.857 -7.533 -1.850 1.00 0.00 C ATOM 601 O ALA A 38 -10.442 -6.792 -2.639 1.00 0.00 O ATOM 602 CB ALA A 38 -9.528 -9.840 -2.759 1.00 0.00 C ATOM 0 H ALA A 38 -7.899 -9.739 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.335 -8.125 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.280 -9.624 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.792 -10.535 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.009 -10.288 -1.889 1.00 0.00 H new ATOM 608 N GLU A 39 -10.066 -7.505 -0.538 1.00 0.00 N ATOM 609 CA GLU A 39 -11.019 -6.579 0.063 1.00 0.00 C ATOM 610 C GLU A 39 -10.659 -5.134 -0.269 1.00 0.00 C ATOM 611 O GLU A 39 -11.530 -4.319 -0.573 1.00 0.00 O ATOM 612 CB GLU A 39 -11.061 -6.770 1.581 1.00 0.00 C ATOM 613 CG GLU A 39 -12.179 -5.998 2.261 1.00 0.00 C ATOM 614 CD GLU A 39 -13.462 -6.800 2.364 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.380 -8.019 2.621 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.548 -6.209 2.186 1.00 0.00 O ATOM 0 H GLU A 39 -9.589 -8.112 0.129 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.004 -6.793 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.177 -7.831 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.106 -6.459 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.857 -5.704 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.372 -5.080 1.706 1.00 0.00 H new ATOM 623 N LEU A 40 -9.368 -4.824 -0.209 1.00 0.00 N ATOM 624 CA LEU A 40 -8.891 -3.478 -0.503 1.00 0.00 C ATOM 625 C LEU A 40 -9.043 -3.158 -1.987 1.00 0.00 C ATOM 626 O LEU A 40 -9.399 -2.040 -2.358 1.00 0.00 O ATOM 627 CB LEU A 40 -7.426 -3.332 -0.086 1.00 0.00 C ATOM 628 CG LEU A 40 -7.070 -3.855 1.306 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.729 -3.298 1.759 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.162 -3.501 2.305 1.00 0.00 C ATOM 0 H LEU A 40 -8.634 -5.487 0.041 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.497 -2.773 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.807 -3.852 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.158 -2.277 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.991 -4.941 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.492 -3.681 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.953 -3.603 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.780 -2.210 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.891 -3.881 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.274 -2.418 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.104 -3.950 1.989 1.00 0.00 H new ATOM 642 N ALA A 41 -8.771 -4.148 -2.831 1.00 0.00 N ATOM 643 CA ALA A 41 -8.882 -3.974 -4.274 1.00 0.00 C ATOM 644 C ALA A 41 -10.341 -3.856 -4.703 1.00 0.00 C ATOM 645 O ALA A 41 -10.669 -3.107 -5.622 1.00 0.00 O ATOM 646 CB ALA A 41 -8.208 -5.129 -4.999 1.00 0.00 C ATOM 0 H ALA A 41 -8.472 -5.079 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.376 -3.047 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.299 -4.985 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.153 -5.165 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.688 -6.066 -4.716 1.00 0.00 H new ATOM 652 N ALA A 42 -11.212 -4.602 -4.031 1.00 0.00 N ATOM 653 CA ALA A 42 -12.636 -4.580 -4.342 1.00 0.00 C ATOM 654 C ALA A 42 -13.323 -3.388 -3.684 1.00 0.00 C ATOM 655 O ALA A 42 -14.281 -2.836 -4.224 1.00 0.00 O ATOM 656 CB ALA A 42 -13.292 -5.880 -3.901 1.00 0.00 C ATOM 0 H ALA A 42 -10.956 -5.229 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.746 -4.478 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.355 -5.850 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.827 -6.717 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.164 -6.005 -2.826 1.00 0.00 H new ATOM 662 N SER A 43 -12.828 -2.998 -2.513 1.00 0.00 N ATOM 663 CA SER A 43 -13.398 -1.874 -1.779 1.00 0.00 C ATOM 664 C SER A 43 -12.848 -0.550 -2.300 1.00 0.00 C ATOM 665 O SER A 43 -13.600 0.308 -2.766 1.00 0.00 O ATOM 666 CB SER A 43 -13.101 -2.010 -0.285 1.00 0.00 C ATOM 667 OG SER A 43 -13.746 -0.991 0.458 1.00 0.00 O ATOM 0 H SER A 43 -12.034 -3.444 -2.053 1.00 0.00 H new ATOM 0 HA SER A 43 -14.477 -1.884 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.433 -2.987 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.025 -1.960 -0.119 1.00 0.00 H new ATOM 0 HG SER A 43 -13.542 -1.101 1.410 1.00 0.00 H new ATOM 673 N LEU A 44 -11.532 -0.390 -2.219 1.00 0.00 N ATOM 674 CA LEU A 44 -10.879 0.829 -2.682 1.00 0.00 C ATOM 675 C LEU A 44 -10.992 0.967 -4.196 1.00 0.00 C ATOM 676 O LEU A 44 -10.774 2.043 -4.751 1.00 0.00 O ATOM 677 CB LEU A 44 -9.406 0.832 -2.267 1.00 0.00 C ATOM 678 CG LEU A 44 -9.117 0.450 -0.815 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.662 0.726 -0.470 1.00 0.00 C ATOM 680 CD2 LEU A 44 -10.043 1.203 0.129 1.00 0.00 C ATOM 0 H LEU A 44 -10.896 -1.090 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.382 1.678 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.865 0.145 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.000 1.828 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.301 -0.618 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.475 0.448 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.016 0.141 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.451 1.787 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.823 0.919 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.891 2.276 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.079 0.955 -0.103 1.00 0.00 H new ATOM 692 N GLY A 45 -11.338 -0.132 -4.861 1.00 0.00 N ATOM 693 CA GLY A 45 -11.477 -0.113 -6.305 1.00 0.00 C ATOM 694 C GLY A 45 -10.168 -0.390 -7.018 1.00 0.00 C ATOM 695 O GLY A 45 -10.035 -0.127 -8.214 1.00 0.00 O ATOM 0 H GLY A 45 -11.524 -1.035 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.215 -0.857 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.858 0.859 -6.617 1.00 0.00 H new ATOM 699 N LEU A 46 -9.197 -0.921 -6.282 1.00 0.00 N ATOM 700 CA LEU A 46 -7.890 -1.233 -6.850 1.00 0.00 C ATOM 701 C LEU A 46 -7.783 -2.717 -7.187 1.00 0.00 C ATOM 702 O LEU A 46 -8.722 -3.483 -6.973 1.00 0.00 O ATOM 703 CB LEU A 46 -6.780 -0.838 -5.874 1.00 0.00 C ATOM 704 CG LEU A 46 -6.818 0.603 -5.363 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.218 0.689 -3.968 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.082 1.528 -6.320 1.00 0.00 C ATOM 0 H LEU A 46 -9.290 -1.144 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.776 -0.661 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.823 -1.508 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.819 -1.005 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.859 0.923 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.253 1.721 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.788 0.057 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.182 0.351 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.119 2.549 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.043 1.211 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.556 1.488 -7.301 1.00 0.00 H new ATOM 718 N THR A 47 -6.630 -3.117 -7.714 1.00 0.00 N ATOM 719 CA THR A 47 -6.398 -4.509 -8.079 1.00 0.00 C ATOM 720 C THR A 47 -5.353 -5.148 -7.173 1.00 0.00 C ATOM 721 O THR A 47 -4.552 -4.454 -6.548 1.00 0.00 O ATOM 722 CB THR A 47 -5.938 -4.636 -9.544 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.885 -6.016 -9.922 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.571 -3.998 -9.739 1.00 0.00 C ATOM 0 H THR A 47 -5.842 -2.496 -7.898 1.00 0.00 H new ATOM 0 HA THR A 47 -7.347 -5.030 -7.957 1.00 0.00 H new ATOM 0 HB THR A 47 -6.658 -4.114 -10.175 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.594 -6.089 -10.855 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.267 -4.100 -10.781 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.622 -2.941 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.843 -4.495 -9.098 1.00 0.00 H new ATOM 732 N GLN A 48 -5.367 -6.476 -7.107 1.00 0.00 N ATOM 733 CA GLN A 48 -4.419 -7.209 -6.276 1.00 0.00 C ATOM 734 C GLN A 48 -2.983 -6.840 -6.633 1.00 0.00 C ATOM 735 O GLN A 48 -2.090 -6.884 -5.787 1.00 0.00 O ATOM 736 CB GLN A 48 -4.626 -8.716 -6.436 1.00 0.00 C ATOM 737 CG GLN A 48 -5.757 -9.269 -5.584 1.00 0.00 C ATOM 738 CD GLN A 48 -6.081 -10.713 -5.911 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.187 -11.518 -6.173 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.366 -11.049 -5.896 1.00 0.00 N ATOM 0 H GLN A 48 -6.024 -7.065 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.598 -6.934 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.830 -8.937 -7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.701 -9.231 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.485 -9.191 -4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.648 -8.659 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.074 -10.349 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.645 -12.007 -6.107 1.00 0.00 H new ATOM 749 N THR A 49 -2.767 -6.476 -7.893 1.00 0.00 N ATOM 750 CA THR A 49 -1.439 -6.100 -8.363 1.00 0.00 C ATOM 751 C THR A 49 -1.028 -4.738 -7.819 1.00 0.00 C ATOM 752 O THR A 49 0.159 -4.421 -7.747 1.00 0.00 O ATOM 753 CB THR A 49 -1.377 -6.066 -9.902 1.00 0.00 C ATOM 754 OG1 THR A 49 -2.011 -7.230 -10.444 1.00 0.00 O ATOM 755 CG2 THR A 49 0.064 -5.995 -10.384 1.00 0.00 C ATOM 0 H THR A 49 -3.495 -6.434 -8.607 1.00 0.00 H new ATOM 0 HA THR A 49 -0.747 -6.858 -7.995 1.00 0.00 H new ATOM 0 HB THR A 49 -1.902 -5.175 -10.245 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.969 -7.200 -11.423 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.082 -5.972 -11.474 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.534 -5.092 -9.994 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.610 -6.870 -10.030 1.00 0.00 H new ATOM 763 N GLN A 50 -2.016 -3.935 -7.436 1.00 0.00 N ATOM 764 CA GLN A 50 -1.755 -2.606 -6.897 1.00 0.00 C ATOM 765 C GLN A 50 -1.585 -2.656 -5.383 1.00 0.00 C ATOM 766 O GLN A 50 -0.610 -2.137 -4.839 1.00 0.00 O ATOM 767 CB GLN A 50 -2.893 -1.652 -7.264 1.00 0.00 C ATOM 768 CG GLN A 50 -2.821 -1.140 -8.694 1.00 0.00 C ATOM 769 CD GLN A 50 -3.530 0.188 -8.875 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.748 0.281 -8.718 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.770 1.225 -9.206 1.00 0.00 N ATOM 0 H GLN A 50 -3.004 -4.182 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.827 -2.239 -7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.845 -2.162 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.878 -0.802 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.776 -1.032 -8.985 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.264 -1.878 -9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.764 1.103 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.192 2.144 -9.340 1.00 0.00 H new ATOM 780 N VAL A 51 -2.542 -3.283 -4.705 1.00 0.00 N ATOM 781 CA VAL A 51 -2.498 -3.401 -3.253 1.00 0.00 C ATOM 782 C VAL A 51 -1.303 -4.234 -2.805 1.00 0.00 C ATOM 783 O VAL A 51 -0.845 -4.123 -1.667 1.00 0.00 O ATOM 784 CB VAL A 51 -3.789 -4.037 -2.702 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.562 -4.576 -1.298 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.928 -3.029 -2.718 1.00 0.00 C ATOM 0 H VAL A 51 -3.357 -3.717 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.402 -2.390 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.065 -4.873 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.485 -5.021 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.778 -5.332 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.261 -3.761 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.832 -3.495 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.664 -2.172 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.106 -2.697 -3.741 1.00 0.00 H new ATOM 796 N LYS A 52 -0.799 -5.070 -3.707 1.00 0.00 N ATOM 797 CA LYS A 52 0.345 -5.922 -3.408 1.00 0.00 C ATOM 798 C LYS A 52 1.637 -5.111 -3.390 1.00 0.00 C ATOM 799 O LYS A 52 2.403 -5.168 -2.428 1.00 0.00 O ATOM 800 CB LYS A 52 0.451 -7.049 -4.437 1.00 0.00 C ATOM 801 CG LYS A 52 -0.312 -8.303 -4.047 1.00 0.00 C ATOM 802 CD LYS A 52 -0.472 -9.248 -5.227 1.00 0.00 C ATOM 803 CE LYS A 52 0.854 -9.880 -5.618 1.00 0.00 C ATOM 804 NZ LYS A 52 0.688 -10.899 -6.692 1.00 0.00 N ATOM 0 H LYS A 52 -1.166 -5.175 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 52 0.195 -6.355 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.077 -6.690 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.502 -7.302 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.213 -8.813 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.295 -8.028 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.188 -10.030 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.882 -8.703 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.540 -9.104 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.307 -10.346 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.615 -11.306 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.053 -11.653 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.280 -10.450 -7.537 1.00 0.00 H new ATOM 818 N ILE A 53 1.872 -4.358 -4.460 1.00 0.00 N ATOM 819 CA ILE A 53 3.070 -3.535 -4.565 1.00 0.00 C ATOM 820 C ILE A 53 3.077 -2.436 -3.507 1.00 0.00 C ATOM 821 O ILE A 53 4.136 -2.011 -3.047 1.00 0.00 O ATOM 822 CB ILE A 53 3.190 -2.890 -5.959 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.179 -3.967 -7.045 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.457 -2.053 -6.048 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.091 -3.409 -8.448 1.00 0.00 C ATOM 0 H ILE A 53 1.249 -4.301 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 53 3.922 -4.196 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 53 2.333 -2.234 -6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.084 -4.569 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.335 -4.635 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.528 -1.604 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.427 -1.266 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.326 -2.688 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.088 -4.229 -9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.173 -2.831 -8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.949 -2.764 -8.638 1.00 0.00 H new ATOM 837 N TRP A 54 1.888 -1.983 -3.125 1.00 0.00 N ATOM 838 CA TRP A 54 1.757 -0.935 -2.119 1.00 0.00 C ATOM 839 C TRP A 54 2.186 -1.442 -0.746 1.00 0.00 C ATOM 840 O TRP A 54 2.887 -0.748 -0.009 1.00 0.00 O ATOM 841 CB TRP A 54 0.314 -0.432 -2.063 1.00 0.00 C ATOM 842 CG TRP A 54 0.144 0.791 -1.213 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.091 2.086 -1.642 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.008 0.832 0.212 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.070 2.931 -0.570 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.125 2.186 0.578 1.00 0.00 C ATOM 847 CE3 TRP A 54 -0.018 -0.142 1.213 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.280 2.587 1.903 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.171 0.257 2.527 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.301 1.611 2.863 1.00 0.00 C ATOM 0 H TRP A 54 1.002 -2.325 -3.496 1.00 0.00 H new ATOM 0 HA TRP A 54 2.411 -0.110 -2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.026 -0.213 -3.075 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.325 -1.226 -1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.165 2.400 -2.673 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.138 3.947 -0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.080 -1.188 0.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.380 3.630 2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.191 -0.488 3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.420 1.890 3.899 1.00 0.00 H new ATOM 861 N PHE A 55 1.762 -2.655 -0.408 1.00 0.00 N ATOM 862 CA PHE A 55 2.102 -3.253 0.877 1.00 0.00 C ATOM 863 C PHE A 55 3.578 -3.637 0.924 1.00 0.00 C ATOM 864 O PHE A 55 4.221 -3.539 1.969 1.00 0.00 O ATOM 865 CB PHE A 55 1.234 -4.486 1.135 1.00 0.00 C ATOM 866 CG PHE A 55 -0.049 -4.177 1.853 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.027 -3.402 1.249 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.277 -4.660 3.131 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.207 -3.115 1.908 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.456 -4.377 3.795 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.423 -3.604 3.182 1.00 0.00 C ATOM 0 H PHE A 55 1.182 -3.243 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 55 1.912 -2.514 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.002 -4.963 0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.805 -5.206 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.865 -3.018 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.476 -5.265 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.960 -2.509 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.621 -4.760 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.346 -3.382 3.698 1.00 0.00 H new ATOM 881 N GLN A 56 4.106 -4.076 -0.214 1.00 0.00 N ATOM 882 CA GLN A 56 5.505 -4.476 -0.302 1.00 0.00 C ATOM 883 C GLN A 56 6.426 -3.266 -0.183 1.00 0.00 C ATOM 884 O GLN A 56 7.287 -3.213 0.695 1.00 0.00 O ATOM 885 CB GLN A 56 5.767 -5.204 -1.622 1.00 0.00 C ATOM 886 CG GLN A 56 7.079 -5.972 -1.643 1.00 0.00 C ATOM 887 CD GLN A 56 7.183 -6.917 -2.824 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.281 -7.717 -3.074 1.00 0.00 O ATOM 889 NE2 GLN A 56 8.286 -6.829 -3.557 1.00 0.00 N ATOM 0 H GLN A 56 3.586 -4.164 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 56 5.716 -5.153 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.947 -5.896 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.768 -4.477 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.909 -5.266 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.178 -6.540 -0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.008 -6.151 -3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.412 -7.439 -4.364 1.00 0.00 H new ATOM 898 N ASN A 57 6.239 -2.297 -1.073 1.00 0.00 N ATOM 899 CA ASN A 57 7.054 -1.087 -1.068 1.00 0.00 C ATOM 900 C ASN A 57 7.099 -0.467 0.325 1.00 0.00 C ATOM 901 O ASN A 57 8.173 -0.234 0.880 1.00 0.00 O ATOM 902 CB ASN A 57 6.505 -0.073 -2.073 1.00 0.00 C ATOM 903 CG ASN A 57 7.100 -0.248 -3.456 1.00 0.00 C ATOM 904 OD1 ASN A 57 8.184 -0.811 -3.610 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.392 0.234 -4.471 1.00 0.00 N ATOM 0 H ASN A 57 5.531 -2.326 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 57 8.069 -1.361 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.421 -0.174 -2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.712 0.936 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.742 0.145 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.498 0.693 -4.297 1.00 0.00 H new ATOM 912 N LYS A 58 5.924 -0.202 0.887 1.00 0.00 N ATOM 913 CA LYS A 58 5.827 0.390 2.216 1.00 0.00 C ATOM 914 C LYS A 58 6.810 -0.269 3.178 1.00 0.00 C ATOM 915 O LYS A 58 7.633 0.405 3.797 1.00 0.00 O ATOM 916 CB LYS A 58 4.401 0.253 2.754 1.00 0.00 C ATOM 917 CG LYS A 58 3.997 1.373 3.698 1.00 0.00 C ATOM 918 CD LYS A 58 3.779 2.679 2.953 1.00 0.00 C ATOM 919 CE LYS A 58 2.697 2.542 1.893 1.00 0.00 C ATOM 920 NZ LYS A 58 3.258 2.122 0.579 1.00 0.00 N ATOM 0 H LYS A 58 5.025 -0.388 0.442 1.00 0.00 H new ATOM 0 HA LYS A 58 6.079 1.447 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.706 0.228 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.308 -0.700 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.083 1.096 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.770 1.509 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.500 3.460 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.712 2.992 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.957 1.813 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.178 3.494 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.960 2.794 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.296 2.107 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.910 1.171 0.341 1.00 0.00 H new ATOM 934 N ARG A 59 6.719 -1.590 3.297 1.00 0.00 N ATOM 935 CA ARG A 59 7.601 -2.340 4.184 1.00 0.00 C ATOM 936 C ARG A 59 9.034 -1.824 4.088 1.00 0.00 C ATOM 937 O ARG A 59 9.750 -1.764 5.088 1.00 0.00 O ATOM 938 CB ARG A 59 7.560 -3.829 3.839 1.00 0.00 C ATOM 939 CG ARG A 59 6.463 -4.592 4.563 1.00 0.00 C ATOM 940 CD ARG A 59 6.454 -6.062 4.171 1.00 0.00 C ATOM 941 NE ARG A 59 7.673 -6.748 4.591 1.00 0.00 N ATOM 942 CZ ARG A 59 8.103 -7.881 4.049 1.00 0.00 C ATOM 943 NH1 ARG A 59 7.416 -8.453 3.069 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.222 -8.445 4.485 1.00 0.00 N ATOM 0 H ARG A 59 6.044 -2.163 2.791 1.00 0.00 H new ATOM 0 HA ARG A 59 7.250 -2.201 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.420 -3.940 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.524 -4.276 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.606 -4.502 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.495 -4.147 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.590 -6.552 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.344 -6.148 3.090 1.00 0.00 H new ATOM 0 HE ARG A 59 8.225 -6.334 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.556 -8.022 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.748 -9.324 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.754 -8.008 5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.551 -9.316 4.067 1.00 0.00 H new