USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.63 F(o=-4.2!,f=-2.6) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 64:sc= 0.732 USER MOD Single : A 26 SER OG : rot 66:sc= 0.0223 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 1.07 (180deg=0.65) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.285 K(o=-0.29,f=-3.5!) USER MOD Single : A 75 MET CE :methyl -110:sc= -4.44! (180deg=-8.23!) USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 4.925 12.546 -4.695 1.00 0.00 N ATOM 145 CA ILE A 14 3.731 11.722 -4.840 1.00 0.00 C ATOM 146 C ILE A 14 3.680 10.635 -3.772 1.00 0.00 C ATOM 147 O ILE A 14 4.478 9.697 -3.786 1.00 0.00 O ATOM 148 CB ILE A 14 3.666 11.063 -6.230 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.574 12.132 -7.321 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.482 10.112 -6.311 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.245 12.854 -7.349 1.00 0.00 C ATOM 0 HA ILE A 14 2.874 12.386 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 14 4.579 10.488 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.371 12.861 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.745 11.665 -8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.450 9.654 -7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.587 9.334 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.559 10.665 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.251 13.597 -8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.445 12.136 -7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.080 13.350 -6.392 1.00 0.00 H new ATOM 163 N THR A 15 2.736 10.767 -2.846 1.00 0.00 N ATOM 164 CA THR A 15 2.580 9.796 -1.770 1.00 0.00 C ATOM 165 C THR A 15 1.273 9.023 -1.912 1.00 0.00 C ATOM 166 O THR A 15 0.274 9.556 -2.397 1.00 0.00 O ATOM 167 CB THR A 15 2.613 10.477 -0.389 1.00 0.00 C ATOM 168 OG1 THR A 15 3.692 11.416 -0.331 1.00 0.00 O ATOM 169 CG2 THR A 15 2.770 9.447 0.719 1.00 0.00 C ATOM 0 H THR A 15 2.068 11.537 -2.819 1.00 0.00 H new ATOM 0 HA THR A 15 3.419 9.104 -1.845 1.00 0.00 H new ATOM 0 HB THR A 15 1.668 11.001 -0.245 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.705 11.846 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.791 9.952 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.931 8.752 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.701 8.898 0.576 1.00 0.00 H new ATOM 177 N LEU A 16 1.286 7.765 -1.485 1.00 0.00 N ATOM 178 CA LEU A 16 0.101 6.919 -1.563 1.00 0.00 C ATOM 179 C LEU A 16 -0.145 6.201 -0.240 1.00 0.00 C ATOM 180 O LEU A 16 0.743 5.532 0.290 1.00 0.00 O ATOM 181 CB LEU A 16 0.254 5.896 -2.690 1.00 0.00 C ATOM 182 CG LEU A 16 0.114 6.439 -4.113 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.515 5.381 -5.130 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.310 6.912 -4.366 1.00 0.00 C ATOM 0 H LEU A 16 2.104 7.309 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.757 7.558 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.233 5.426 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.491 5.113 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 16 0.784 7.292 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.409 5.785 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.552 5.090 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.128 4.508 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.391 7.295 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.999 6.077 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.562 7.703 -3.659 1.00 0.00 H new ATOM 196 N LYS A 17 -1.356 6.343 0.288 1.00 0.00 N ATOM 197 CA LYS A 17 -1.721 5.706 1.548 1.00 0.00 C ATOM 198 C LYS A 17 -2.274 4.305 1.309 1.00 0.00 C ATOM 199 O LYS A 17 -3.101 4.096 0.421 1.00 0.00 O ATOM 200 CB LYS A 17 -2.755 6.554 2.291 1.00 0.00 C ATOM 201 CG LYS A 17 -2.939 6.154 3.745 1.00 0.00 C ATOM 202 CD LYS A 17 -3.480 7.305 4.576 1.00 0.00 C ATOM 203 CE LYS A 17 -3.352 7.025 6.066 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.547 6.316 6.602 1.00 0.00 N ATOM 0 H LYS A 17 -2.102 6.894 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.822 5.623 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.454 7.601 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.713 6.476 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.622 5.307 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.985 5.824 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.940 8.219 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.527 7.476 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.461 6.423 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.217 7.965 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.421 6.144 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.394 6.901 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.662 5.408 6.109 1.00 0.00 H new ATOM 218 N VAL A 18 -1.813 3.347 2.108 1.00 0.00 N ATOM 219 CA VAL A 18 -2.264 1.966 1.985 1.00 0.00 C ATOM 220 C VAL A 18 -2.846 1.459 3.299 1.00 0.00 C ATOM 221 O VAL A 18 -2.326 1.754 4.375 1.00 0.00 O ATOM 222 CB VAL A 18 -1.115 1.037 1.552 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.659 -0.304 1.085 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.282 1.693 0.461 1.00 0.00 C ATOM 0 H VAL A 18 -1.128 3.502 2.847 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.039 1.953 1.219 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.470 0.860 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.832 -0.947 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.208 -0.777 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.327 -0.150 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.526 1.022 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.913 1.902 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.139 2.626 0.836 1.00 0.00 H new ATOM 234 N ASP A 19 -3.928 0.693 3.205 1.00 0.00 N ATOM 235 CA ASP A 19 -4.580 0.142 4.387 1.00 0.00 C ATOM 236 C ASP A 19 -4.847 -1.350 4.215 1.00 0.00 C ATOM 237 O ASP A 19 -4.451 -1.950 3.216 1.00 0.00 O ATOM 238 CB ASP A 19 -5.892 0.879 4.661 1.00 0.00 C ATOM 239 CG ASP A 19 -6.316 0.784 6.114 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.435 0.594 6.978 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.530 0.901 6.386 1.00 0.00 O ATOM 0 H ASP A 19 -4.372 0.440 2.322 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.911 0.277 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.781 1.928 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.677 0.465 4.028 1.00 0.00 H new ATOM 246 N ASN A 20 -5.521 -1.942 5.195 1.00 0.00 N ATOM 247 CA ASN A 20 -5.839 -3.365 5.153 1.00 0.00 C ATOM 248 C ASN A 20 -4.583 -4.197 4.913 1.00 0.00 C ATOM 249 O ASN A 20 -4.629 -5.235 4.253 1.00 0.00 O ATOM 250 CB ASN A 20 -6.867 -3.646 4.055 1.00 0.00 C ATOM 251 CG ASN A 20 -8.294 -3.556 4.562 1.00 0.00 C ATOM 252 OD1 ASN A 20 -9.235 -4.060 3.772 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -8.546 -3.041 5.651 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.858 -1.459 6.028 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.260 -3.646 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.728 -2.935 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.693 -4.640 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.791 -2.666 6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.510 -2.989 5.980 1.00 0.00 H new ATOM 260 N LEU A 21 -3.462 -3.734 5.455 1.00 0.00 N ATOM 261 CA LEU A 21 -2.192 -4.435 5.302 1.00 0.00 C ATOM 262 C LEU A 21 -2.008 -5.475 6.402 1.00 0.00 C ATOM 263 O LEU A 21 -1.760 -5.134 7.559 1.00 0.00 O ATOM 264 CB LEU A 21 -1.031 -3.439 5.326 1.00 0.00 C ATOM 265 CG LEU A 21 -0.971 -2.449 4.162 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.146 -1.440 4.376 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.780 -3.186 2.844 1.00 0.00 C ATOM 0 H LEU A 21 -3.407 -2.876 6.004 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.202 -4.948 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.084 -2.873 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.097 -4.001 5.347 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.917 -1.910 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.173 -0.744 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.033 -0.889 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.100 -1.963 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.740 -2.466 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.151 -3.752 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.615 -3.869 2.685 1.00 0.00 H new ATOM 279 N THR A 22 -2.128 -6.747 6.033 1.00 0.00 N ATOM 280 CA THR A 22 -1.974 -7.837 6.988 1.00 0.00 C ATOM 281 C THR A 22 -0.560 -7.875 7.556 1.00 0.00 C ATOM 282 O THR A 22 0.388 -7.413 6.920 1.00 0.00 O ATOM 283 CB THR A 22 -2.292 -9.198 6.342 1.00 0.00 C ATOM 284 OG1 THR A 22 -2.079 -10.252 7.289 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.424 -9.431 5.114 1.00 0.00 C ATOM 0 H THR A 22 -2.331 -7.047 5.080 1.00 0.00 H new ATOM 0 HA THR A 22 -2.682 -7.652 7.796 1.00 0.00 H new ATOM 0 HB THR A 22 -3.337 -9.193 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.285 -11.114 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.667 -10.399 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.609 -8.644 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.373 -9.417 5.403 1.00 0.00 H new ATOM 293 N TYR A 23 -0.424 -8.427 8.756 1.00 0.00 N ATOM 294 CA TYR A 23 0.875 -8.523 9.411 1.00 0.00 C ATOM 295 C TYR A 23 1.940 -9.020 8.438 1.00 0.00 C ATOM 296 O TYR A 23 3.070 -8.531 8.435 1.00 0.00 O ATOM 297 CB TYR A 23 0.794 -9.461 10.617 1.00 0.00 C ATOM 298 CG TYR A 23 0.823 -10.927 10.248 1.00 0.00 C ATOM 299 CD1 TYR A 23 2.029 -11.593 10.065 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.354 -11.645 10.080 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.061 -12.932 9.727 1.00 0.00 C ATOM 302 CE2 TYR A 23 -0.332 -12.985 9.743 1.00 0.00 C ATOM 303 CZ TYR A 23 0.878 -13.624 9.567 1.00 0.00 C ATOM 304 OH TYR A 23 0.904 -14.957 9.230 1.00 0.00 O ATOM 0 H TYR A 23 -1.198 -8.815 9.295 1.00 0.00 H new ATOM 0 HA TYR A 23 1.156 -7.526 9.752 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.625 -9.248 11.289 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.123 -9.252 11.168 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.957 -11.055 10.189 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.303 -11.147 10.215 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.007 -13.435 9.589 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.257 -13.529 9.618 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.013 -15.294 9.157 1.00 0.00 H new ATOM 314 N ARG A 24 1.570 -9.994 7.613 1.00 0.00 N ATOM 315 CA ARG A 24 2.493 -10.557 6.634 1.00 0.00 C ATOM 316 C ARG A 24 3.068 -9.466 5.737 1.00 0.00 C ATOM 317 O ARG A 24 4.228 -9.530 5.328 1.00 0.00 O ATOM 318 CB ARG A 24 1.784 -11.612 5.782 1.00 0.00 C ATOM 319 CG ARG A 24 1.117 -12.707 6.599 1.00 0.00 C ATOM 320 CD ARG A 24 0.587 -13.821 5.709 1.00 0.00 C ATOM 321 NE ARG A 24 -0.535 -13.377 4.887 1.00 0.00 N ATOM 322 CZ ARG A 24 -1.047 -14.094 3.893 1.00 0.00 C ATOM 323 NH1 ARG A 24 -0.539 -15.284 3.599 1.00 0.00 N ATOM 324 NH2 ARG A 24 -2.069 -13.623 3.190 1.00 0.00 N ATOM 0 H ARG A 24 0.639 -10.410 7.603 1.00 0.00 H new ATOM 0 HA ARG A 24 3.314 -11.027 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.032 -11.122 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.507 -12.065 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.832 -13.118 7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.298 -12.282 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.388 -14.182 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.273 -14.661 6.328 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.948 -12.466 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.247 -15.650 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.934 -15.833 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.463 -12.709 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.461 -14.175 2.427 1.00 0.00 H new ATOM 338 N THR A 25 2.249 -8.463 5.434 1.00 0.00 N ATOM 339 CA THR A 25 2.675 -7.358 4.585 1.00 0.00 C ATOM 340 C THR A 25 4.080 -6.894 4.950 1.00 0.00 C ATOM 341 O THR A 25 4.331 -6.474 6.080 1.00 0.00 O ATOM 342 CB THR A 25 1.708 -6.164 4.689 1.00 0.00 C ATOM 343 OG1 THR A 25 0.364 -6.600 4.462 1.00 0.00 O ATOM 344 CG2 THR A 25 2.073 -5.082 3.683 1.00 0.00 C ATOM 0 H THR A 25 1.287 -8.394 5.765 1.00 0.00 H new ATOM 0 HA THR A 25 2.673 -7.728 3.560 1.00 0.00 H new ATOM 0 HB THR A 25 1.789 -5.747 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.099 -7.225 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.376 -4.249 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.086 -4.731 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.019 -5.490 2.674 1.00 0.00 H new ATOM 352 N SER A 26 4.993 -6.971 3.987 1.00 0.00 N ATOM 353 CA SER A 26 6.375 -6.560 4.209 1.00 0.00 C ATOM 354 C SER A 26 6.806 -5.524 3.176 1.00 0.00 C ATOM 355 O SER A 26 6.213 -5.393 2.105 1.00 0.00 O ATOM 356 CB SER A 26 7.305 -7.774 4.150 1.00 0.00 C ATOM 357 OG SER A 26 7.320 -8.465 5.387 1.00 0.00 O ATOM 0 H SER A 26 4.801 -7.314 3.046 1.00 0.00 H new ATOM 0 HA SER A 26 6.440 -6.109 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.979 -8.448 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.315 -7.451 3.898 1.00 0.00 H new ATOM 0 HG SER A 26 6.436 -8.853 5.556 1.00 0.00 H new ATOM 363 N PRO A 27 7.865 -4.769 3.504 1.00 0.00 N ATOM 364 CA PRO A 27 8.401 -3.730 2.618 1.00 0.00 C ATOM 365 C PRO A 27 8.517 -4.204 1.173 1.00 0.00 C ATOM 366 O PRO A 27 7.996 -3.567 0.258 1.00 0.00 O ATOM 367 CB PRO A 27 9.788 -3.448 3.202 1.00 0.00 C ATOM 368 CG PRO A 27 9.666 -3.782 4.648 1.00 0.00 C ATOM 369 CD PRO A 27 8.620 -4.870 4.764 1.00 0.00 C ATOM 0 HA PRO A 27 7.754 -2.854 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.552 -4.057 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.073 -2.406 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.622 -4.122 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.374 -2.903 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.077 -5.853 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.976 -4.715 5.630 1.00 0.00 H new ATOM 377 N ASP A 28 9.202 -5.324 0.976 1.00 0.00 N ATOM 378 CA ASP A 28 9.385 -5.884 -0.358 1.00 0.00 C ATOM 379 C ASP A 28 8.057 -5.951 -1.106 1.00 0.00 C ATOM 380 O ASP A 28 7.937 -5.450 -2.224 1.00 0.00 O ATOM 381 CB ASP A 28 10.005 -7.279 -0.268 1.00 0.00 C ATOM 382 CG ASP A 28 11.266 -7.300 0.572 1.00 0.00 C ATOM 383 OD1 ASP A 28 11.170 -7.059 1.794 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.350 -7.558 0.008 1.00 0.00 O ATOM 0 H ASP A 28 9.640 -5.863 1.723 1.00 0.00 H new ATOM 0 HA ASP A 28 10.060 -5.230 -0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.277 -7.970 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.235 -7.636 -1.272 1.00 0.00 H new ATOM 389 N SER A 29 7.063 -6.573 -0.481 1.00 0.00 N ATOM 390 CA SER A 29 5.744 -6.710 -1.090 1.00 0.00 C ATOM 391 C SER A 29 5.134 -5.341 -1.378 1.00 0.00 C ATOM 392 O SER A 29 4.905 -4.981 -2.533 1.00 0.00 O ATOM 393 CB SER A 29 4.817 -7.511 -0.174 1.00 0.00 C ATOM 394 OG SER A 29 3.776 -8.125 -0.914 1.00 0.00 O ATOM 0 H SER A 29 7.145 -6.990 0.446 1.00 0.00 H new ATOM 0 HA SER A 29 5.860 -7.243 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.391 -8.273 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.390 -6.853 0.583 1.00 0.00 H new ATOM 0 HG SER A 29 3.198 -8.632 -0.307 1.00 0.00 H new ATOM 400 N LEU A 30 4.874 -4.582 -0.319 1.00 0.00 N ATOM 401 CA LEU A 30 4.291 -3.252 -0.456 1.00 0.00 C ATOM 402 C LEU A 30 4.927 -2.496 -1.618 1.00 0.00 C ATOM 403 O LEU A 30 4.277 -1.677 -2.268 1.00 0.00 O ATOM 404 CB LEU A 30 4.467 -2.460 0.841 1.00 0.00 C ATOM 405 CG LEU A 30 3.829 -1.071 0.871 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.330 -1.167 0.628 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.113 -0.382 2.198 1.00 0.00 C ATOM 0 H LEU A 30 5.058 -4.865 0.644 1.00 0.00 H new ATOM 0 HA LEU A 30 3.227 -3.368 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.052 -3.046 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.534 -2.352 1.035 1.00 0.00 H new ATOM 0 HG LEU A 30 4.268 -0.473 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.893 -0.169 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.148 -1.619 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.874 -1.782 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.651 0.605 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.702 -0.978 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.190 -0.279 2.332 1.00 0.00 H new ATOM 419 N ARG A 31 6.200 -2.777 -1.874 1.00 0.00 N ATOM 420 CA ARG A 31 6.923 -2.124 -2.959 1.00 0.00 C ATOM 421 C ARG A 31 6.534 -2.719 -4.308 1.00 0.00 C ATOM 422 O ARG A 31 6.124 -2.001 -5.220 1.00 0.00 O ATOM 423 CB ARG A 31 8.432 -2.257 -2.747 1.00 0.00 C ATOM 424 CG ARG A 31 9.252 -1.269 -3.560 1.00 0.00 C ATOM 425 CD ARG A 31 10.735 -1.379 -3.241 1.00 0.00 C ATOM 426 NE ARG A 31 11.371 -2.475 -3.966 1.00 0.00 N ATOM 427 CZ ARG A 31 12.666 -2.760 -3.880 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.457 -2.032 -3.104 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.171 -3.774 -4.571 1.00 0.00 N ATOM 0 H ARG A 31 6.752 -3.452 -1.345 1.00 0.00 H new ATOM 0 HA ARG A 31 6.654 -1.068 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.655 -2.117 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.739 -3.270 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.093 -1.451 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.909 -0.255 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.231 -0.442 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.865 -1.530 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 31 10.789 -3.054 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.072 -1.252 -2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.451 -2.252 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.565 -4.336 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.165 -3.992 -4.504 1.00 0.00 H new ATOM 443 N ARG A 32 6.665 -4.036 -4.428 1.00 0.00 N ATOM 444 CA ARG A 32 6.328 -4.728 -5.667 1.00 0.00 C ATOM 445 C ARG A 32 4.885 -4.446 -6.072 1.00 0.00 C ATOM 446 O ARG A 32 4.501 -4.648 -7.224 1.00 0.00 O ATOM 447 CB ARG A 32 6.540 -6.235 -5.508 1.00 0.00 C ATOM 448 CG ARG A 32 6.936 -6.934 -6.798 1.00 0.00 C ATOM 449 CD ARG A 32 8.439 -6.875 -7.024 1.00 0.00 C ATOM 450 NE ARG A 32 8.853 -7.694 -8.161 1.00 0.00 N ATOM 451 CZ ARG A 32 10.123 -7.946 -8.460 1.00 0.00 C ATOM 452 NH1 ARG A 32 11.096 -7.446 -7.712 1.00 0.00 N ATOM 453 NH2 ARG A 32 10.420 -8.700 -9.511 1.00 0.00 N ATOM 0 H ARG A 32 7.002 -4.645 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 32 6.986 -4.356 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.313 -6.408 -4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.622 -6.684 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.613 -7.974 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.422 -6.468 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.740 -5.841 -7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.955 -7.214 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 32 8.128 -8.094 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.871 -6.866 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.070 -7.641 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.673 -9.086 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.395 -8.894 -9.741 1.00 0.00 H new ATOM 467 N VAL A 33 4.088 -3.978 -5.116 1.00 0.00 N ATOM 468 CA VAL A 33 2.687 -3.667 -5.373 1.00 0.00 C ATOM 469 C VAL A 33 2.549 -2.597 -6.450 1.00 0.00 C ATOM 470 O VAL A 33 1.795 -2.759 -7.410 1.00 0.00 O ATOM 471 CB VAL A 33 1.974 -3.188 -4.094 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.678 -2.471 -4.442 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.711 -4.360 -3.161 1.00 0.00 C ATOM 0 H VAL A 33 4.389 -3.806 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 33 2.217 -4.588 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 33 2.625 -2.482 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.188 -2.140 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.897 -1.607 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.019 -3.152 -4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.207 -4.004 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.080 -5.092 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.657 -4.825 -2.886 1.00 0.00 H new ATOM 483 N PHE A 34 3.284 -1.502 -6.285 1.00 0.00 N ATOM 484 CA PHE A 34 3.244 -0.403 -7.242 1.00 0.00 C ATOM 485 C PHE A 34 4.425 -0.478 -8.206 1.00 0.00 C ATOM 486 O PHE A 34 4.321 -0.073 -9.363 1.00 0.00 O ATOM 487 CB PHE A 34 3.254 0.941 -6.510 1.00 0.00 C ATOM 488 CG PHE A 34 2.369 0.969 -5.297 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.998 0.812 -5.419 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.909 1.153 -4.034 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.181 0.837 -4.305 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.097 1.178 -2.916 1.00 0.00 C ATOM 493 CZ PHE A 34 0.731 1.021 -3.052 1.00 0.00 C ATOM 0 H PHE A 34 3.914 -1.352 -5.497 1.00 0.00 H new ATOM 0 HA PHE A 34 2.322 -0.489 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.276 1.175 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.937 1.724 -7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.562 0.668 -6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.976 1.278 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.886 0.713 -4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.530 1.320 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.095 1.042 -2.180 1.00 0.00 H new ATOM 503 N GLU A 35 5.546 -1.000 -7.719 1.00 0.00 N ATOM 504 CA GLU A 35 6.747 -1.127 -8.536 1.00 0.00 C ATOM 505 C GLU A 35 6.407 -1.670 -9.922 1.00 0.00 C ATOM 506 O GLU A 35 7.004 -1.270 -10.921 1.00 0.00 O ATOM 507 CB GLU A 35 7.762 -2.045 -7.852 1.00 0.00 C ATOM 508 CG GLU A 35 9.196 -1.803 -8.292 1.00 0.00 C ATOM 509 CD GLU A 35 9.439 -2.201 -9.735 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.120 -3.354 -10.093 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.947 -1.360 -10.505 1.00 0.00 O ATOM 0 H GLU A 35 5.648 -1.342 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 35 7.184 -0.135 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.694 -1.907 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.498 -3.082 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.438 -0.748 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.870 -2.365 -7.646 1.00 0.00 H new ATOM 518 N LYS A 36 5.444 -2.584 -9.972 1.00 0.00 N ATOM 519 CA LYS A 36 5.023 -3.183 -11.233 1.00 0.00 C ATOM 520 C LYS A 36 4.683 -2.107 -12.260 1.00 0.00 C ATOM 521 O LYS A 36 4.984 -2.248 -13.445 1.00 0.00 O ATOM 522 CB LYS A 36 3.811 -4.091 -11.011 1.00 0.00 C ATOM 523 CG LYS A 36 3.588 -5.093 -12.129 1.00 0.00 C ATOM 524 CD LYS A 36 2.185 -5.674 -12.087 1.00 0.00 C ATOM 525 CE LYS A 36 1.720 -6.110 -13.468 1.00 0.00 C ATOM 526 NZ LYS A 36 1.275 -4.954 -14.294 1.00 0.00 N ATOM 0 H LYS A 36 4.940 -2.926 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 36 5.851 -3.779 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.939 -4.630 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.919 -3.473 -10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.753 -4.608 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.318 -5.898 -12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.164 -6.527 -11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.494 -4.931 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.532 -6.629 -13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.900 -6.821 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.587 -5.278 -15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.831 -4.240 -13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.096 -4.535 -14.775 1.00 0.00 H new ATOM 540 N TYR A 37 4.056 -1.031 -11.797 1.00 0.00 N ATOM 541 CA TYR A 37 3.675 0.069 -12.675 1.00 0.00 C ATOM 542 C TYR A 37 4.622 1.253 -12.508 1.00 0.00 C ATOM 543 O TYR A 37 5.216 1.728 -13.475 1.00 0.00 O ATOM 544 CB TYR A 37 2.238 0.506 -12.385 1.00 0.00 C ATOM 545 CG TYR A 37 1.274 -0.648 -12.227 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.715 -1.269 -13.337 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.922 -1.118 -10.968 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.167 -2.323 -13.198 1.00 0.00 C ATOM 549 CE2 TYR A 37 0.042 -2.172 -10.819 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.500 -2.771 -11.936 1.00 0.00 C ATOM 551 OH TYR A 37 -1.377 -3.822 -11.793 1.00 0.00 O ATOM 0 H TYR A 37 3.801 -0.897 -10.819 1.00 0.00 H new ATOM 0 HA TYR A 37 3.740 -0.282 -13.705 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.226 1.105 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.892 1.149 -13.195 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.975 -0.922 -14.326 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.344 -0.651 -10.090 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.593 -2.794 -14.072 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.220 -2.525 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.504 -4.014 -10.841 1.00 0.00 H new ATOM 561 N GLY A 38 4.759 1.724 -11.272 1.00 0.00 N ATOM 562 CA GLY A 38 5.635 2.847 -10.999 1.00 0.00 C ATOM 563 C GLY A 38 6.637 2.548 -9.901 1.00 0.00 C ATOM 564 O GLY A 38 6.315 1.867 -8.928 1.00 0.00 O ATOM 0 H GLY A 38 4.278 1.347 -10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.169 3.117 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.035 3.711 -10.713 1.00 0.00 H new ATOM 568 N ARG A 39 7.854 3.058 -10.058 1.00 0.00 N ATOM 569 CA ARG A 39 8.906 2.839 -9.073 1.00 0.00 C ATOM 570 C ARG A 39 8.538 3.471 -7.734 1.00 0.00 C ATOM 571 O ARG A 39 7.935 4.543 -7.686 1.00 0.00 O ATOM 572 CB ARG A 39 10.231 3.416 -9.574 1.00 0.00 C ATOM 573 CG ARG A 39 11.065 2.425 -10.370 1.00 0.00 C ATOM 574 CD ARG A 39 11.940 3.131 -11.395 1.00 0.00 C ATOM 575 NE ARG A 39 13.176 2.398 -11.655 1.00 0.00 N ATOM 576 CZ ARG A 39 14.247 2.462 -10.871 1.00 0.00 C ATOM 577 NH1 ARG A 39 14.232 3.219 -9.783 1.00 0.00 N ATOM 578 NH2 ARG A 39 15.335 1.765 -11.175 1.00 0.00 N ATOM 0 H ARG A 39 8.136 3.625 -10.857 1.00 0.00 H new ATOM 0 HA ARG A 39 9.016 1.764 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.026 4.287 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.812 3.764 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.692 1.847 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.408 1.718 -10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.385 3.249 -12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.180 4.133 -11.038 1.00 0.00 H new ATOM 0 HE ARG A 39 13.220 1.805 -12.483 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.397 3.754 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.056 3.266 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.349 1.180 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.157 1.814 -10.573 1.00 0.00 H new ATOM 592 N VAL A 40 8.904 2.799 -6.647 1.00 0.00 N ATOM 593 CA VAL A 40 8.613 3.294 -5.307 1.00 0.00 C ATOM 594 C VAL A 40 9.771 4.124 -4.764 1.00 0.00 C ATOM 595 O VAL A 40 10.842 3.595 -4.468 1.00 0.00 O ATOM 596 CB VAL A 40 8.322 2.138 -4.332 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.252 2.651 -2.901 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.032 1.429 -4.716 1.00 0.00 C ATOM 0 H VAL A 40 9.403 1.910 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 40 7.726 3.923 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 40 9.138 1.418 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.046 1.820 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.204 3.109 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.456 3.392 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.842 0.615 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.204 2.137 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.125 1.026 -5.725 1.00 0.00 H new ATOM 608 N GLY A 41 9.549 5.428 -4.635 1.00 0.00 N ATOM 609 CA GLY A 41 10.583 6.310 -4.127 1.00 0.00 C ATOM 610 C GLY A 41 11.044 5.922 -2.736 1.00 0.00 C ATOM 611 O GLY A 41 12.214 6.092 -2.393 1.00 0.00 O ATOM 0 H GLY A 41 8.671 5.890 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.435 6.295 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.207 7.333 -4.110 1.00 0.00 H new ATOM 615 N ASP A 42 10.123 5.402 -1.933 1.00 0.00 N ATOM 616 CA ASP A 42 10.442 4.989 -0.571 1.00 0.00 C ATOM 617 C ASP A 42 9.254 4.280 0.074 1.00 0.00 C ATOM 618 O ASP A 42 8.103 4.668 -0.126 1.00 0.00 O ATOM 619 CB ASP A 42 10.846 6.200 0.270 1.00 0.00 C ATOM 620 CG ASP A 42 11.290 5.813 1.667 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.912 4.741 1.816 1.00 0.00 O ATOM 622 OD2 ASP A 42 11.014 6.582 2.612 1.00 0.00 O ATOM 0 H ASP A 42 9.150 5.256 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 42 11.279 4.292 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.655 6.733 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.004 6.889 0.337 1.00 0.00 H new ATOM 627 N VAL A 43 9.542 3.238 0.846 1.00 0.00 N ATOM 628 CA VAL A 43 8.499 2.474 1.520 1.00 0.00 C ATOM 629 C VAL A 43 8.515 2.730 3.023 1.00 0.00 C ATOM 630 O VAL A 43 9.490 2.416 3.707 1.00 0.00 O ATOM 631 CB VAL A 43 8.656 0.963 1.266 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.346 0.238 1.535 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.133 0.710 -0.156 1.00 0.00 C ATOM 0 H VAL A 43 10.489 2.903 1.021 1.00 0.00 H new ATOM 0 HA VAL A 43 7.547 2.807 1.107 1.00 0.00 H new ATOM 0 HB VAL A 43 9.407 0.572 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.476 -0.828 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.051 0.393 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.572 0.629 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.239 -0.363 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.406 1.114 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.096 1.197 -0.309 1.00 0.00 H new ATOM 643 N TYR A 44 7.429 3.301 3.532 1.00 0.00 N ATOM 644 CA TYR A 44 7.319 3.601 4.955 1.00 0.00 C ATOM 645 C TYR A 44 6.287 2.697 5.624 1.00 0.00 C ATOM 646 O TYR A 44 5.097 2.761 5.315 1.00 0.00 O ATOM 647 CB TYR A 44 6.937 5.068 5.160 1.00 0.00 C ATOM 648 CG TYR A 44 6.702 5.436 6.608 1.00 0.00 C ATOM 649 CD1 TYR A 44 5.453 5.269 7.193 1.00 0.00 C ATOM 650 CD2 TYR A 44 7.729 5.948 7.391 1.00 0.00 C ATOM 651 CE1 TYR A 44 5.233 5.605 8.515 1.00 0.00 C ATOM 652 CE2 TYR A 44 7.519 6.285 8.714 1.00 0.00 C ATOM 653 CZ TYR A 44 6.269 6.112 9.271 1.00 0.00 C ATOM 654 OH TYR A 44 6.055 6.446 10.589 1.00 0.00 O ATOM 0 H TYR A 44 6.613 3.565 2.981 1.00 0.00 H new ATOM 0 HA TYR A 44 8.290 3.417 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.728 5.700 4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.034 5.283 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.640 4.870 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.709 6.085 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.255 5.471 8.954 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.329 6.682 9.309 1.00 0.00 H new ATOM 0 HH TYR A 44 6.887 6.787 10.979 1.00 0.00 H new ATOM 664 N ILE A 45 6.753 1.857 6.541 1.00 0.00 N ATOM 665 CA ILE A 45 5.872 0.942 7.256 1.00 0.00 C ATOM 666 C ILE A 45 6.013 1.108 8.765 1.00 0.00 C ATOM 667 O ILE A 45 6.916 0.556 9.394 1.00 0.00 O ATOM 668 CB ILE A 45 6.162 -0.524 6.883 1.00 0.00 C ATOM 669 CG1 ILE A 45 6.161 -0.697 5.363 1.00 0.00 C ATOM 670 CG2 ILE A 45 5.139 -1.447 7.527 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.754 -2.010 4.903 1.00 0.00 C ATOM 0 H ILE A 45 7.736 1.791 6.807 1.00 0.00 H new ATOM 0 HA ILE A 45 4.853 1.190 6.960 1.00 0.00 H new ATOM 0 HB ILE A 45 7.150 -0.790 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.137 -0.623 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.720 0.123 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.358 -2.479 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.185 -1.341 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.141 -1.183 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.720 -2.063 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.789 -2.079 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.181 -2.836 5.325 1.00 0.00 H new ATOM 683 N PRO A 46 5.099 1.887 9.362 1.00 0.00 N ATOM 684 CA PRO A 46 5.098 2.143 10.805 1.00 0.00 C ATOM 685 C PRO A 46 4.605 0.943 11.607 1.00 0.00 C ATOM 686 O PRO A 46 3.827 0.129 11.108 1.00 0.00 O ATOM 687 CB PRO A 46 4.131 3.320 10.956 1.00 0.00 C ATOM 688 CG PRO A 46 3.199 3.196 9.801 1.00 0.00 C ATOM 689 CD PRO A 46 3.995 2.577 8.674 1.00 0.00 C ATOM 0 HA PRO A 46 6.100 2.345 11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.595 3.273 11.904 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.661 4.272 10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.342 2.574 10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.809 4.171 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.390 1.882 8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.365 3.334 7.983 1.00 0.00 H new ATOM 851 N GLY A 56 -1.410 -0.656 10.730 1.00 0.00 N ATOM 852 CA GLY A 56 -2.492 -1.038 9.841 1.00 0.00 C ATOM 853 C GLY A 56 -2.393 -0.366 8.486 1.00 0.00 C ATOM 854 O GLY A 56 -2.899 -0.883 7.490 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.484 -2.120 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.445 -0.780 10.302 1.00 0.00 H new ATOM 858 N PHE A 57 -1.742 0.792 8.448 1.00 0.00 N ATOM 859 CA PHE A 57 -1.582 1.538 7.205 1.00 0.00 C ATOM 860 C PHE A 57 -0.117 1.900 6.973 1.00 0.00 C ATOM 861 O PHE A 57 0.656 2.040 7.920 1.00 0.00 O ATOM 862 CB PHE A 57 -2.434 2.809 7.235 1.00 0.00 C ATOM 863 CG PHE A 57 -2.081 3.741 8.359 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.991 4.590 8.257 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.840 3.767 9.518 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.664 5.449 9.289 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.519 4.625 10.553 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.429 5.466 10.439 1.00 0.00 C ATOM 0 H PHE A 57 -1.317 1.234 9.263 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.916 0.904 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.320 3.336 6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.484 2.531 7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.389 4.580 7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.692 3.110 9.614 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.188 6.106 9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.120 4.638 11.450 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.175 6.136 11.248 1.00 0.00 H new ATOM 878 N ALA A 58 0.255 2.048 5.706 1.00 0.00 N ATOM 879 CA ALA A 58 1.626 2.394 5.349 1.00 0.00 C ATOM 880 C ALA A 58 1.660 3.587 4.399 1.00 0.00 C ATOM 881 O ALA A 58 0.620 4.053 3.933 1.00 0.00 O ATOM 882 CB ALA A 58 2.326 1.198 4.722 1.00 0.00 C ATOM 0 H ALA A 58 -0.373 1.934 4.910 1.00 0.00 H new ATOM 0 HA ALA A 58 2.154 2.673 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.348 1.471 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.341 0.372 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.791 0.893 3.823 1.00 0.00 H new ATOM 888 N PHE A 59 2.863 4.078 4.117 1.00 0.00 N ATOM 889 CA PHE A 59 3.033 5.218 3.224 1.00 0.00 C ATOM 890 C PHE A 59 4.082 4.921 2.157 1.00 0.00 C ATOM 891 O PHE A 59 5.183 4.464 2.463 1.00 0.00 O ATOM 892 CB PHE A 59 3.436 6.461 4.020 1.00 0.00 C ATOM 893 CG PHE A 59 2.279 7.141 4.696 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.596 6.515 5.726 1.00 0.00 C ATOM 895 CD2 PHE A 59 1.876 8.406 4.300 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.532 7.139 6.350 1.00 0.00 C ATOM 897 CE2 PHE A 59 0.812 9.034 4.921 1.00 0.00 C ATOM 898 CZ PHE A 59 0.139 8.399 5.946 1.00 0.00 C ATOM 0 H PHE A 59 3.734 3.704 4.494 1.00 0.00 H new ATOM 0 HA PHE A 59 2.080 5.405 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.171 6.178 4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.923 7.170 3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.898 5.528 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.398 8.907 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.009 6.641 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.507 10.021 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.693 8.887 6.431 1.00 0.00 H new ATOM 908 N VAL A 60 3.733 5.185 0.902 1.00 0.00 N ATOM 909 CA VAL A 60 4.643 4.948 -0.212 1.00 0.00 C ATOM 910 C VAL A 60 4.793 6.195 -1.075 1.00 0.00 C ATOM 911 O VAL A 60 3.813 6.878 -1.372 1.00 0.00 O ATOM 912 CB VAL A 60 4.159 3.782 -1.094 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.102 3.574 -2.269 1.00 0.00 C ATOM 914 CG2 VAL A 60 4.031 2.509 -0.271 1.00 0.00 C ATOM 0 H VAL A 60 2.825 5.564 0.631 1.00 0.00 H new ATOM 0 HA VAL A 60 5.610 4.690 0.220 1.00 0.00 H new ATOM 0 HB VAL A 60 3.175 4.033 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.744 2.746 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.138 4.482 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.101 3.345 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.688 1.695 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.001 2.252 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.312 2.666 0.533 1.00 0.00 H new ATOM 924 N ARG A 61 6.027 6.487 -1.474 1.00 0.00 N ATOM 925 CA ARG A 61 6.306 7.653 -2.303 1.00 0.00 C ATOM 926 C ARG A 61 6.631 7.237 -3.735 1.00 0.00 C ATOM 927 O ARG A 61 6.911 6.069 -4.005 1.00 0.00 O ATOM 928 CB ARG A 61 7.469 8.456 -1.717 1.00 0.00 C ATOM 929 CG ARG A 61 7.078 9.309 -0.521 1.00 0.00 C ATOM 930 CD ARG A 61 8.251 9.512 0.425 1.00 0.00 C ATOM 931 NE ARG A 61 9.382 10.158 -0.236 1.00 0.00 N ATOM 932 CZ ARG A 61 10.473 10.564 0.405 1.00 0.00 C ATOM 933 NH1 ARG A 61 10.580 10.391 1.715 1.00 0.00 N ATOM 934 NH2 ARG A 61 11.460 11.144 -0.266 1.00 0.00 N ATOM 0 H ARG A 61 6.849 5.932 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 61 5.413 8.278 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.261 7.768 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.882 9.101 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.716 10.277 -0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.256 8.833 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.932 10.118 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.566 8.548 0.823 1.00 0.00 H new ATOM 0 HE ARG A 61 9.332 10.305 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.824 9.945 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.419 10.704 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.381 11.278 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.297 11.456 0.226 1.00 0.00 H new ATOM 948 N PHE A 62 6.591 8.201 -4.649 1.00 0.00 N ATOM 949 CA PHE A 62 6.880 7.935 -6.053 1.00 0.00 C ATOM 950 C PHE A 62 7.637 9.101 -6.683 1.00 0.00 C ATOM 951 O PHE A 62 7.867 10.126 -6.041 1.00 0.00 O ATOM 952 CB PHE A 62 5.583 7.679 -6.823 1.00 0.00 C ATOM 953 CG PHE A 62 4.851 6.448 -6.371 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.206 6.421 -5.145 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.807 5.318 -7.172 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.532 5.289 -4.726 1.00 0.00 C ATOM 957 CE2 PHE A 62 4.134 4.184 -6.758 1.00 0.00 C ATOM 958 CZ PHE A 62 3.495 4.170 -5.534 1.00 0.00 C ATOM 0 H PHE A 62 6.361 9.173 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 62 7.508 7.046 -6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.928 8.543 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.812 7.587 -7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.230 7.294 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.304 5.324 -8.131 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.035 5.280 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.108 3.310 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.967 3.285 -5.209 1.00 0.00 H new ATOM 968 N HIS A 63 8.022 8.937 -7.945 1.00 0.00 N ATOM 969 CA HIS A 63 8.753 9.975 -8.663 1.00 0.00 C ATOM 970 C HIS A 63 7.859 10.652 -9.697 1.00 0.00 C ATOM 971 O HIS A 63 7.998 11.845 -9.967 1.00 0.00 O ATOM 972 CB HIS A 63 9.985 9.381 -9.346 1.00 0.00 C ATOM 973 CG HIS A 63 11.104 9.071 -8.401 1.00 0.00 C ATOM 974 ND1 HIS A 63 12.156 9.933 -8.171 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.331 7.987 -7.622 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.982 9.392 -7.294 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.504 8.211 -6.945 1.00 0.00 N ATOM 0 H HIS A 63 7.840 8.095 -8.491 1.00 0.00 H new ATOM 0 HA HIS A 63 9.075 10.725 -7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.697 8.468 -9.866 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.343 10.079 -10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.706 7.110 -7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.893 9.839 -6.925 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.936 7.570 -6.280 1.00 0.00 H new ATOM 985 N ASP A 64 6.942 9.883 -10.274 1.00 0.00 N ATOM 986 CA ASP A 64 6.025 10.408 -11.279 1.00 0.00 C ATOM 987 C ASP A 64 4.592 10.413 -10.757 1.00 0.00 C ATOM 988 O ASP A 64 4.290 9.793 -9.738 1.00 0.00 O ATOM 989 CB ASP A 64 6.111 9.579 -12.562 1.00 0.00 C ATOM 990 CG ASP A 64 5.801 10.396 -13.801 1.00 0.00 C ATOM 991 OD1 ASP A 64 5.919 11.637 -13.737 1.00 0.00 O ATOM 992 OD2 ASP A 64 5.440 9.794 -14.834 1.00 0.00 O ATOM 0 H ASP A 64 6.814 8.893 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 64 6.316 11.435 -11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.111 9.155 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.415 8.743 -12.498 1.00 0.00 H new ATOM 997 N ARG A 65 3.714 11.119 -11.462 1.00 0.00 N ATOM 998 CA ARG A 65 2.313 11.207 -11.068 1.00 0.00 C ATOM 999 C ARG A 65 1.478 10.151 -11.787 1.00 0.00 C ATOM 1000 O ARG A 65 0.806 9.339 -11.152 1.00 0.00 O ATOM 1001 CB ARG A 65 1.762 12.602 -11.372 1.00 0.00 C ATOM 1002 CG ARG A 65 0.386 12.856 -10.779 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.719 12.441 -11.737 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.730 13.258 -12.948 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.309 14.451 -13.023 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.921 14.963 -11.964 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -1.276 15.135 -14.160 1.00 0.00 N ATOM 0 H ARG A 65 3.948 11.638 -12.308 1.00 0.00 H new ATOM 0 HA ARG A 65 2.252 11.025 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.457 13.349 -10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.713 12.737 -12.453 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.284 12.305 -9.844 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.282 13.914 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.589 11.393 -12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.683 12.523 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.268 12.893 -13.781 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.948 14.440 -11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.365 15.879 -12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.806 14.744 -14.977 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.721 16.051 -14.217 1.00 0.00 H new ATOM 1021 N ARG A 66 1.527 10.170 -13.115 1.00 0.00 N ATOM 1022 CA ARG A 66 0.775 9.216 -13.921 1.00 0.00 C ATOM 1023 C ARG A 66 0.949 7.797 -13.387 1.00 0.00 C ATOM 1024 O ARG A 66 -0.010 7.171 -12.934 1.00 0.00 O ATOM 1025 CB ARG A 66 1.225 9.281 -15.381 1.00 0.00 C ATOM 1026 CG ARG A 66 0.841 10.575 -16.080 1.00 0.00 C ATOM 1027 CD ARG A 66 -0.551 10.489 -16.686 1.00 0.00 C ATOM 1028 NE ARG A 66 -0.801 11.566 -17.640 1.00 0.00 N ATOM 1029 CZ ARG A 66 -2.003 11.854 -18.125 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -3.061 11.150 -17.746 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -2.150 12.849 -18.990 1.00 0.00 N ATOM 0 H ARG A 66 2.080 10.836 -13.655 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.280 9.482 -13.862 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.308 9.162 -15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.790 8.442 -15.924 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.879 11.399 -15.368 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.567 10.796 -16.863 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.670 9.528 -17.186 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.295 10.529 -15.891 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.009 12.128 -17.951 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.953 10.385 -17.080 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.983 11.374 -18.120 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.339 13.394 -19.283 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.074 13.069 -19.362 1.00 0.00 H new ATOM 1045 N ASP A 67 2.178 7.296 -13.444 1.00 0.00 N ATOM 1046 CA ASP A 67 2.478 5.951 -12.966 1.00 0.00 C ATOM 1047 C ASP A 67 1.727 5.654 -11.672 1.00 0.00 C ATOM 1048 O ASP A 67 1.205 4.556 -11.484 1.00 0.00 O ATOM 1049 CB ASP A 67 3.983 5.790 -12.745 1.00 0.00 C ATOM 1050 CG ASP A 67 4.765 5.813 -14.044 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.652 4.843 -14.821 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.490 6.801 -14.283 1.00 0.00 O ATOM 0 H ASP A 67 2.982 7.801 -13.816 1.00 0.00 H new ATOM 0 HA ASP A 67 2.152 5.241 -13.725 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.339 6.590 -12.096 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.173 4.850 -12.227 1.00 0.00 H new ATOM 1057 N ALA A 68 1.677 6.640 -10.783 1.00 0.00 N ATOM 1058 CA ALA A 68 0.989 6.485 -9.507 1.00 0.00 C ATOM 1059 C ALA A 68 -0.513 6.320 -9.710 1.00 0.00 C ATOM 1060 O ALA A 68 -1.146 5.483 -9.068 1.00 0.00 O ATOM 1061 CB ALA A 68 1.274 7.677 -8.605 1.00 0.00 C ATOM 0 H ALA A 68 2.105 7.555 -10.923 1.00 0.00 H new ATOM 0 HA ALA A 68 1.366 5.582 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.754 7.548 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.347 7.748 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.926 8.590 -9.088 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.076 7.124 -10.607 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.505 7.066 -10.892 1.00 0.00 C ATOM 1069 C GLN A 69 -2.944 5.637 -11.191 1.00 0.00 C ATOM 1070 O GLN A 69 -3.900 5.134 -10.599 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.847 7.975 -12.075 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.844 9.454 -11.726 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.116 9.891 -11.025 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.556 9.261 -10.063 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.713 10.976 -11.504 1.00 0.00 N ATOM 0 H GLN A 69 -0.565 7.822 -11.148 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.040 7.413 -10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.131 7.798 -12.877 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.830 7.703 -12.459 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.988 9.671 -11.086 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.717 10.038 -12.637 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.313 11.467 -12.303 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.571 11.318 -11.072 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.240 4.987 -12.111 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.556 3.614 -12.488 1.00 0.00 C ATOM 1086 C ASP A 70 -2.614 2.713 -11.258 1.00 0.00 C ATOM 1087 O ASP A 70 -3.662 2.155 -10.934 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.518 3.082 -13.477 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.087 2.021 -14.399 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.885 1.187 -13.922 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.735 2.026 -15.597 1.00 0.00 O ATOM 0 H ASP A 70 -1.446 5.389 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.536 3.611 -12.966 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.132 3.908 -14.074 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.675 2.666 -12.926 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.481 2.575 -10.578 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.403 1.742 -9.384 1.00 0.00 C ATOM 1098 C ALA A 71 -2.587 1.998 -8.458 1.00 0.00 C ATOM 1099 O ALA A 71 -3.196 1.062 -7.942 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.093 1.992 -8.651 1.00 0.00 C ATOM 0 H ALA A 71 -0.604 3.029 -10.833 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.439 0.698 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.048 1.364 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.743 1.752 -9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.034 3.040 -8.358 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.907 3.272 -8.252 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.018 3.650 -7.387 1.00 0.00 C ATOM 1108 C GLU A 72 -5.299 2.934 -7.803 1.00 0.00 C ATOM 1109 O GLU A 72 -5.751 2.006 -7.132 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.231 5.164 -7.425 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.415 5.633 -6.596 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.717 5.613 -7.373 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.734 6.122 -8.514 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.717 5.088 -6.842 1.00 0.00 O ATOM 0 H GLU A 72 -2.413 4.059 -8.672 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.770 3.351 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.328 5.659 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.376 5.476 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.512 4.997 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.225 6.645 -6.239 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.881 3.372 -8.914 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.109 2.773 -9.421 1.00 0.00 C ATOM 1123 C ALA A 73 -7.045 1.251 -9.356 1.00 0.00 C ATOM 1124 O ALA A 73 -7.880 0.612 -8.717 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.371 3.232 -10.848 1.00 0.00 C ATOM 0 H ALA A 73 -5.522 4.140 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.933 3.103 -8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.291 2.777 -11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.470 4.317 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.539 2.931 -11.485 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.049 0.676 -10.022 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.876 -0.771 -10.039 1.00 0.00 C ATOM 1133 C ALA A 74 -6.000 -1.355 -8.636 1.00 0.00 C ATOM 1134 O ALA A 74 -6.855 -2.202 -8.380 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.529 -1.134 -10.646 1.00 0.00 C ATOM 0 H ALA A 74 -5.349 1.191 -10.557 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.667 -1.200 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.413 -2.218 -10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.477 -0.757 -11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.731 -0.687 -10.053 1.00 0.00 H new ATOM 1141 N MET A 75 -5.141 -0.897 -7.731 1.00 0.00 N ATOM 1142 CA MET A 75 -5.156 -1.374 -6.353 1.00 0.00 C ATOM 1143 C MET A 75 -6.449 -0.970 -5.652 1.00 0.00 C ATOM 1144 O MET A 75 -7.287 -1.815 -5.339 1.00 0.00 O ATOM 1145 CB MET A 75 -3.953 -0.823 -5.587 1.00 0.00 C ATOM 1146 CG MET A 75 -2.731 -1.726 -5.642 1.00 0.00 C ATOM 1147 SD MET A 75 -2.894 -3.179 -4.587 1.00 0.00 S ATOM 1148 CE MET A 75 -1.736 -4.298 -5.371 1.00 0.00 C ATOM 0 H MET A 75 -4.426 -0.196 -7.927 1.00 0.00 H new ATOM 0 HA MET A 75 -5.098 -2.462 -6.371 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.691 0.154 -5.993 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.235 -0.670 -4.545 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.566 -2.045 -6.671 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.851 -1.159 -5.339 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.283 -5.104 -5.859 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.151 -3.755 -6.113 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.068 -4.717 -4.618 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.604 0.327 -5.408 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.795 0.843 -4.744 1.00 0.00 C ATOM 1160 C ASP A 76 -9.028 0.033 -5.133 1.00 0.00 C ATOM 1161 O ASP A 76 -9.422 0.003 -6.298 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.005 2.316 -5.099 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.453 2.745 -4.960 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.059 2.453 -3.907 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.980 3.371 -5.903 1.00 0.00 O ATOM 0 H ASP A 76 -5.920 1.040 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.648 0.754 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.382 2.935 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.674 2.491 -6.123 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.633 -0.624 -4.148 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.814 -1.427 -4.407 1.00 0.00 C ATOM 1172 C GLY A 77 -10.471 -2.822 -4.891 1.00 0.00 C ATOM 1173 O GLY A 77 -11.334 -3.539 -5.398 1.00 0.00 O ATOM 0 H GLY A 77 -9.326 -0.614 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.409 -1.498 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.432 -0.928 -5.153 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.209 -3.207 -4.737 1.00 0.00 N ATOM 1178 CA ALA A 78 -8.755 -4.526 -5.162 1.00 0.00 C ATOM 1179 C ALA A 78 -9.143 -5.594 -4.145 1.00 0.00 C ATOM 1180 O ALA A 78 -9.596 -5.280 -3.045 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.249 -4.521 -5.378 1.00 0.00 C ATOM 0 H ALA A 78 -8.482 -2.625 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.245 -4.766 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.924 -5.512 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.994 -3.792 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.749 -4.256 -4.447 1.00 0.00 H new ATOM 1187 N GLU A 79 -8.962 -6.856 -4.521 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.294 -7.970 -3.641 1.00 0.00 C ATOM 1189 C GLU A 79 -8.055 -8.803 -3.325 1.00 0.00 C ATOM 1190 O GLU A 79 -7.630 -9.633 -4.129 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.366 -8.854 -4.283 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.034 -9.807 -3.307 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.976 -10.778 -3.992 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.088 -10.356 -4.373 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.602 -11.959 -4.147 1.00 0.00 O ATOM 0 H GLU A 79 -8.587 -7.132 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.682 -7.559 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.127 -8.218 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.914 -9.431 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.268 -10.367 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.588 -9.232 -2.565 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.481 -8.574 -2.149 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.289 -9.302 -1.726 1.00 0.00 C ATOM 1204 C LEU A 80 -6.388 -9.698 -0.256 1.00 0.00 C ATOM 1205 O LEU A 80 -6.575 -8.848 0.615 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.039 -8.450 -1.953 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.506 -8.410 -3.386 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -3.401 -7.374 -3.516 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.004 -9.784 -3.806 1.00 0.00 C ATOM 0 H LEU A 80 -7.821 -7.891 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.215 -10.210 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.257 -7.429 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.247 -8.821 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.322 -8.125 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.034 -7.360 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.792 -6.390 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.583 -7.628 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.628 -9.737 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.202 -10.098 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.822 -10.502 -3.753 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.258 -10.993 0.012 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.329 -11.502 1.377 1.00 0.00 C ATOM 1223 C ASP A 81 -7.720 -11.286 1.966 1.00 0.00 C ATOM 1224 O ASP A 81 -7.866 -11.024 3.159 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.279 -10.819 2.254 1.00 0.00 C ATOM 1226 CG ASP A 81 -5.106 -11.508 3.593 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -4.318 -12.474 3.666 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -5.758 -11.080 4.568 1.00 0.00 O ATOM 0 H ASP A 81 -6.103 -11.709 -0.698 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.128 -12.573 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.324 -10.807 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.566 -9.780 2.418 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.739 -11.398 1.120 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.105 -11.211 1.574 1.00 0.00 C ATOM 1235 C GLY A 82 -10.354 -9.812 2.101 1.00 0.00 C ATOM 1236 O GLY A 82 -11.360 -9.561 2.765 1.00 0.00 O ATOM 0 H GLY A 82 -8.643 -11.615 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.789 -11.413 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.327 -11.936 2.357 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.435 -8.898 1.807 1.00 0.00 N ATOM 1241 CA ARG A 83 -9.558 -7.517 2.258 1.00 0.00 C ATOM 1242 C ARG A 83 -9.282 -6.545 1.115 1.00 0.00 C ATOM 1243 O ARG A 83 -8.414 -6.788 0.277 1.00 0.00 O ATOM 1244 CB ARG A 83 -8.594 -7.248 3.415 1.00 0.00 C ATOM 1245 CG ARG A 83 -9.114 -7.721 4.763 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.187 -6.790 5.304 1.00 0.00 C ATOM 1247 NE ARG A 83 -10.426 -7.000 6.730 1.00 0.00 N ATOM 1248 CZ ARG A 83 -11.459 -6.485 7.386 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -12.346 -5.733 6.748 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -11.608 -6.721 8.683 1.00 0.00 N ATOM 0 H ARG A 83 -8.597 -9.089 1.258 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.580 -7.364 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.644 -7.741 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.393 -6.178 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.520 -8.728 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.289 -7.778 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.888 -5.755 5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.115 -6.948 4.754 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.763 -7.574 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.235 -5.549 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.139 -5.339 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.928 -7.299 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.402 -6.325 9.186 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.026 -5.444 1.088 1.00 0.00 N ATOM 1265 CA GLU A 84 -9.862 -4.436 0.047 1.00 0.00 C ATOM 1266 C GLU A 84 -8.732 -3.472 0.397 1.00 0.00 C ATOM 1267 O GLU A 84 -8.962 -2.418 0.993 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.165 -3.661 -0.154 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.081 -4.271 -1.202 1.00 0.00 C ATOM 1270 CD GLU A 84 -12.780 -5.523 -0.709 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.372 -5.477 0.390 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -12.735 -6.548 -1.421 1.00 0.00 O ATOM 0 H GLU A 84 -10.748 -5.227 1.775 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.606 -4.947 -0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.697 -3.609 0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.928 -2.637 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.828 -3.535 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.499 -4.511 -2.092 1.00 0.00 H new ATOM 1279 N LEU A 85 -7.512 -3.839 0.024 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.345 -3.008 0.299 1.00 0.00 C ATOM 1281 C LEU A 85 -6.608 -1.556 -0.088 1.00 0.00 C ATOM 1282 O LEU A 85 -6.447 -1.173 -1.247 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.127 -3.537 -0.460 1.00 0.00 C ATOM 1284 CG LEU A 85 -4.593 -4.897 -0.008 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -3.645 -5.471 -1.049 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -3.897 -4.775 1.340 1.00 0.00 C ATOM 0 H LEU A 85 -7.304 -4.707 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.144 -3.049 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.383 -3.603 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.323 -2.806 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.436 -5.579 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.275 -6.439 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.174 -5.595 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.805 -4.791 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.523 -5.752 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.064 -4.077 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.605 -4.408 2.083 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.011 -0.752 0.890 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.295 0.658 0.653 1.00 0.00 C ATOM 1300 C ARG A 86 -6.042 1.394 0.186 1.00 0.00 C ATOM 1301 O ARG A 86 -5.260 1.888 0.999 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.839 1.312 1.924 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.797 2.461 1.655 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.194 1.958 1.326 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.878 1.433 2.505 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.521 2.196 3.382 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.567 3.510 3.213 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.119 1.644 4.430 1.00 0.00 N ATOM 0 H ARG A 86 -7.148 -1.053 1.855 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.048 0.724 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.350 0.557 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.003 1.679 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.840 3.112 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.422 3.063 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.781 2.771 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.129 1.178 0.567 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.861 0.426 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.108 3.937 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.061 4.094 3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.085 0.633 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.613 2.230 5.103 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.857 1.462 -1.129 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.700 2.137 -1.704 1.00 0.00 C ATOM 1324 C VAL A 87 -5.110 3.422 -2.415 1.00 0.00 C ATOM 1325 O VAL A 87 -5.424 3.410 -3.605 1.00 0.00 O ATOM 1326 CB VAL A 87 -3.956 1.227 -2.699 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.533 1.720 -2.914 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -3.962 -0.213 -2.211 1.00 0.00 C ATOM 0 H VAL A 87 -6.494 1.058 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.033 2.380 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.476 1.264 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.024 1.064 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.556 2.734 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.999 1.715 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.432 -0.842 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.468 -0.271 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.991 -0.560 -2.115 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.106 4.527 -1.678 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.478 5.821 -2.239 1.00 0.00 C ATOM 1340 C GLN A 88 -4.313 6.802 -2.166 1.00 0.00 C ATOM 1341 O GLN A 88 -3.219 6.451 -1.724 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.689 6.392 -1.498 1.00 0.00 C ATOM 1343 CG GLN A 88 -8.005 5.739 -1.888 1.00 0.00 C ATOM 1344 CD GLN A 88 -9.170 6.232 -1.053 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.413 5.572 0.073 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -9.846 7.195 -1.417 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.849 4.553 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.738 5.673 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.538 6.272 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.752 7.462 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.207 5.938 -2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.916 4.658 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.624 7.673 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.628 7.514 -0.845 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.555 8.034 -2.604 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.526 9.066 -2.588 1.00 0.00 C ATOM 1357 C VAL A 89 -3.511 9.807 -1.255 1.00 0.00 C ATOM 1358 O VAL A 89 -4.547 10.270 -0.779 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.733 10.083 -3.725 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.571 11.063 -3.785 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.906 9.366 -5.056 1.00 0.00 C ATOM 0 H VAL A 89 -5.455 8.341 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.570 8.562 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.643 10.648 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.736 11.774 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.499 11.601 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.644 10.518 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.051 10.100 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.016 8.774 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.775 8.710 -5.006 1.00 0.00 H new