USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 Set 1.1: A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 8:sc= 0.582 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -130:sc= 0.00625 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.002 F(o=-1.8,f=-0.002) USER MOD Single : A 40 SER OG : rot -104:sc= 0.315 USER MOD Single : A 44 SER OG : rot 32:sc= 0.232 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= 0.876 (180deg=0.135) USER MOD Single : A 49 GLN : amide:sc= 0.835 K(o=0.84,f=-0.38) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -2.54 F(o=-5.7!,f=-2.5) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.139 F(o=-0.78,f=-0.14) USER MOD Single : A 74 THR OG1 : rot 139:sc= 0.924 USER MOD Single : A 77 HIS : no HE2:sc= -3.18 K(o=-3.2,f=-6.9!) USER MOD Single : A 84 THR OG1 : rot 39:sc= 1.05 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 80:sc= -0.196 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 11.838 -7.195 0.821 1.00 0.00 N ATOM 145 CA THR A 11 11.772 -8.633 0.801 1.00 0.00 C ATOM 146 C THR A 11 10.567 -9.028 1.649 1.00 0.00 C ATOM 147 O THR A 11 10.010 -8.225 2.395 1.00 0.00 O ATOM 148 CB THR A 11 13.074 -9.243 1.347 1.00 0.00 C ATOM 149 OG1 THR A 11 14.165 -8.326 1.346 1.00 0.00 O ATOM 150 CG2 THR A 11 13.492 -10.454 0.520 1.00 0.00 C ATOM 0 HA THR A 11 11.659 -9.010 -0.215 1.00 0.00 H new ATOM 0 HB THR A 11 12.853 -9.525 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.840 -7.431 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.415 -10.869 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.707 -11.209 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.653 -10.150 -0.514 1.00 0.00 H new ATOM 158 N ALA A 12 10.180 -10.285 1.569 1.00 0.00 N ATOM 159 CA ALA A 12 8.991 -10.799 2.218 1.00 0.00 C ATOM 160 C ALA A 12 9.079 -10.687 3.723 1.00 0.00 C ATOM 161 O ALA A 12 8.233 -10.032 4.326 1.00 0.00 O ATOM 162 CB ALA A 12 8.780 -12.252 1.782 1.00 0.00 C ATOM 0 H ALA A 12 10.693 -10.991 1.041 1.00 0.00 H new ATOM 0 HA ALA A 12 8.134 -10.198 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.887 -12.651 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.657 -12.293 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.645 -12.848 2.071 1.00 0.00 H new ATOM 168 N ALA A 13 10.121 -11.256 4.323 1.00 0.00 N ATOM 169 CA ALA A 13 10.248 -11.177 5.771 1.00 0.00 C ATOM 170 C ALA A 13 10.565 -9.739 6.182 1.00 0.00 C ATOM 171 O ALA A 13 10.380 -9.385 7.349 1.00 0.00 O ATOM 172 CB ALA A 13 11.311 -12.143 6.305 1.00 0.00 C ATOM 0 H ALA A 13 10.867 -11.761 3.845 1.00 0.00 H new ATOM 0 HA ALA A 13 9.297 -11.476 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.374 -12.052 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.039 -13.165 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.278 -11.900 5.864 1.00 0.00 H new ATOM 178 N GLU A 14 11.051 -8.914 5.247 1.00 0.00 N ATOM 179 CA GLU A 14 11.404 -7.542 5.494 1.00 0.00 C ATOM 180 C GLU A 14 10.134 -6.706 5.576 1.00 0.00 C ATOM 181 O GLU A 14 10.031 -5.865 6.463 1.00 0.00 O ATOM 182 CB GLU A 14 12.310 -7.048 4.356 1.00 0.00 C ATOM 183 CG GLU A 14 13.277 -5.965 4.855 1.00 0.00 C ATOM 184 CD GLU A 14 14.638 -6.543 5.252 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.677 -7.607 5.914 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.674 -5.933 4.894 1.00 0.00 O ATOM 0 H GLU A 14 11.207 -9.204 4.282 1.00 0.00 H new ATOM 0 HA GLU A 14 11.942 -7.450 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.875 -7.885 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.699 -6.650 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.416 -5.217 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.837 -5.454 5.712 1.00 0.00 H new ATOM 193 N ILE A 15 9.159 -6.947 4.692 1.00 0.00 N ATOM 194 CA ILE A 15 7.873 -6.280 4.727 1.00 0.00 C ATOM 195 C ILE A 15 7.084 -6.831 5.893 1.00 0.00 C ATOM 196 O ILE A 15 6.592 -6.036 6.688 1.00 0.00 O ATOM 197 CB ILE A 15 7.162 -6.425 3.359 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.664 -5.307 2.427 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.628 -6.349 3.466 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.356 -5.580 0.948 1.00 0.00 C ATOM 0 H ILE A 15 9.251 -7.618 3.929 1.00 0.00 H new ATOM 0 HA ILE A 15 7.982 -5.207 4.886 1.00 0.00 H new ATOM 0 HB ILE A 15 7.402 -7.412 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.205 -4.363 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.740 -5.191 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.188 -6.457 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.268 -7.150 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.340 -5.386 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.734 -4.758 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.837 -6.509 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.278 -5.667 0.811 1.00 0.00 H new ATOM 212 N GLU A 16 6.956 -8.152 6.019 1.00 0.00 N ATOM 213 CA GLU A 16 6.132 -8.688 7.087 1.00 0.00 C ATOM 214 C GLU A 16 6.630 -8.195 8.437 1.00 0.00 C ATOM 215 O GLU A 16 5.813 -7.710 9.206 1.00 0.00 O ATOM 216 CB GLU A 16 6.092 -10.209 7.097 1.00 0.00 C ATOM 217 CG GLU A 16 5.276 -10.819 5.950 1.00 0.00 C ATOM 218 CD GLU A 16 4.814 -12.241 6.280 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.652 -13.143 6.513 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.584 -12.477 6.340 1.00 0.00 O ATOM 0 H GLU A 16 7.398 -8.845 5.415 1.00 0.00 H new ATOM 0 HA GLU A 16 5.119 -8.331 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.112 -10.589 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.674 -10.545 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.408 -10.192 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.878 -10.833 5.042 1.00 0.00 H new ATOM 227 N GLN A 17 7.938 -8.248 8.721 1.00 0.00 N ATOM 228 CA GLN A 17 8.439 -7.810 10.016 1.00 0.00 C ATOM 229 C GLN A 17 8.506 -6.286 10.067 1.00 0.00 C ATOM 230 O GLN A 17 8.335 -5.685 11.127 1.00 0.00 O ATOM 231 CB GLN A 17 9.825 -8.408 10.214 1.00 0.00 C ATOM 232 CG GLN A 17 10.392 -8.288 11.622 1.00 0.00 C ATOM 233 CD GLN A 17 9.814 -9.355 12.541 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.719 -9.217 13.081 1.00 0.00 O ATOM 235 NE2 GLN A 17 10.505 -10.470 12.698 1.00 0.00 N ATOM 0 H GLN A 17 8.654 -8.586 8.077 1.00 0.00 H new ATOM 0 HA GLN A 17 7.771 -8.144 10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.789 -9.463 9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.513 -7.925 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.477 -8.382 11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.170 -7.299 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.413 -10.575 12.246 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.130 -11.226 13.272 1.00 0.00 H new ATOM 244 N GLY A 18 8.737 -5.652 8.916 1.00 0.00 N ATOM 245 CA GLY A 18 8.845 -4.216 8.782 1.00 0.00 C ATOM 246 C GLY A 18 7.538 -3.573 9.196 1.00 0.00 C ATOM 247 O GLY A 18 7.536 -2.483 9.773 1.00 0.00 O ATOM 0 H GLY A 18 8.856 -6.146 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.660 -3.842 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.082 -3.953 7.751 1.00 0.00 H new ATOM 251 N PHE A 19 6.431 -4.270 8.919 1.00 0.00 N ATOM 252 CA PHE A 19 5.097 -3.726 9.076 1.00 0.00 C ATOM 253 C PHE A 19 4.229 -4.588 9.993 1.00 0.00 C ATOM 254 O PHE A 19 3.018 -4.396 10.045 1.00 0.00 O ATOM 255 CB PHE A 19 4.559 -3.453 7.666 1.00 0.00 C ATOM 256 CG PHE A 19 5.513 -2.535 6.912 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.779 -1.250 7.418 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.296 -3.028 5.853 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.824 -0.473 6.888 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.356 -2.265 5.333 1.00 0.00 C ATOM 261 CZ PHE A 19 7.620 -0.987 5.854 1.00 0.00 C ATOM 0 H PHE A 19 6.446 -5.231 8.578 1.00 0.00 H new ATOM 0 HA PHE A 19 5.095 -2.776 9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.441 -4.392 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.572 -2.994 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.175 -0.856 8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.081 -4.001 5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.013 0.517 7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.966 -2.660 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.436 -0.400 5.458 1.00 0.00 H new ATOM 271 N LYS A 20 4.847 -5.471 10.790 1.00 0.00 N ATOM 272 CA LYS A 20 4.158 -6.391 11.703 1.00 0.00 C ATOM 273 C LYS A 20 3.304 -5.712 12.777 1.00 0.00 C ATOM 274 O LYS A 20 2.493 -6.362 13.428 1.00 0.00 O ATOM 275 CB LYS A 20 5.176 -7.379 12.312 1.00 0.00 C ATOM 276 CG LYS A 20 6.044 -6.814 13.447 1.00 0.00 C ATOM 277 CD LYS A 20 5.751 -7.546 14.759 1.00 0.00 C ATOM 278 CE LYS A 20 6.626 -6.957 15.861 1.00 0.00 C ATOM 279 NZ LYS A 20 6.711 -7.840 17.037 1.00 0.00 N ATOM 0 H LYS A 20 5.862 -5.567 10.818 1.00 0.00 H new ATOM 0 HA LYS A 20 3.432 -6.938 11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.634 -8.246 12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.832 -7.734 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.099 -6.918 13.193 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.849 -5.748 13.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.698 -7.445 15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.951 -8.612 14.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.628 -6.778 15.470 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.224 -5.990 16.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.315 -7.399 17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.759 -7.991 17.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.119 -8.754 16.756 1.00 0.00 H new ATOM 293 N ASP A 21 3.495 -4.412 12.962 1.00 0.00 N ATOM 294 CA ASP A 21 2.760 -3.573 13.907 1.00 0.00 C ATOM 295 C ASP A 21 1.382 -3.184 13.366 1.00 0.00 C ATOM 296 O ASP A 21 0.487 -2.845 14.138 1.00 0.00 O ATOM 297 CB ASP A 21 3.564 -2.293 14.173 1.00 0.00 C ATOM 298 CG ASP A 21 2.834 -1.318 15.102 1.00 0.00 C ATOM 299 OD1 ASP A 21 2.451 -1.710 16.228 1.00 0.00 O ATOM 300 OD2 ASP A 21 2.719 -0.121 14.756 1.00 0.00 O ATOM 0 H ASP A 21 4.195 -3.889 12.437 1.00 0.00 H new ATOM 0 HA ASP A 21 2.620 -4.144 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.525 -2.558 14.614 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.774 -1.797 13.225 1.00 0.00 H new ATOM 305 N VAL A 22 1.174 -3.237 12.052 1.00 0.00 N ATOM 306 CA VAL A 22 -0.048 -2.801 11.392 1.00 0.00 C ATOM 307 C VAL A 22 -0.696 -4.034 10.739 1.00 0.00 C ATOM 308 O VAL A 22 -0.045 -5.078 10.627 1.00 0.00 O ATOM 309 CB VAL A 22 0.267 -1.647 10.410 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.596 -0.418 10.716 1.00 0.00 C ATOM 311 CG2 VAL A 22 1.730 -1.150 10.368 1.00 0.00 C ATOM 0 H VAL A 22 1.873 -3.595 11.401 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.771 -2.388 12.096 1.00 0.00 H new ATOM 0 HB VAL A 22 0.051 -2.100 9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.356 0.379 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.650 -0.681 10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.397 -0.077 11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.819 -0.342 9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.019 -0.786 11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.385 -1.971 10.078 1.00 0.00 H new ATOM 321 N PRO A 23 -1.994 -3.997 10.389 1.00 0.00 N ATOM 322 CA PRO A 23 -2.697 -5.196 9.984 1.00 0.00 C ATOM 323 C PRO A 23 -2.449 -5.494 8.511 1.00 0.00 C ATOM 324 O PRO A 23 -1.902 -4.678 7.760 1.00 0.00 O ATOM 325 CB PRO A 23 -4.166 -4.908 10.275 1.00 0.00 C ATOM 326 CG PRO A 23 -4.257 -3.436 9.901 1.00 0.00 C ATOM 327 CD PRO A 23 -2.916 -2.875 10.380 1.00 0.00 C ATOM 0 HA PRO A 23 -2.357 -6.082 10.520 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.834 -5.527 9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.421 -5.084 11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.391 -3.300 8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.098 -2.946 10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.564 -2.086 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.009 -2.438 11.374 1.00 0.00 H new ATOM 335 N SER A 24 -2.934 -6.659 8.092 1.00 0.00 N ATOM 336 CA SER A 24 -2.760 -7.145 6.739 1.00 0.00 C ATOM 337 C SER A 24 -4.099 -7.526 6.117 1.00 0.00 C ATOM 338 O SER A 24 -5.109 -7.626 6.823 1.00 0.00 O ATOM 339 CB SER A 24 -1.767 -8.316 6.733 1.00 0.00 C ATOM 340 OG SER A 24 -2.294 -9.485 7.335 1.00 0.00 O ATOM 0 H SER A 24 -3.462 -7.293 8.692 1.00 0.00 H new ATOM 0 HA SER A 24 -2.346 -6.347 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.482 -8.539 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.859 -8.020 7.259 1.00 0.00 H new ATOM 0 HG SER A 24 -1.654 -9.832 7.992 1.00 0.00 H new ATOM 346 N PHE A 25 -4.103 -7.804 4.815 1.00 0.00 N ATOM 347 CA PHE A 25 -5.189 -8.441 4.099 1.00 0.00 C ATOM 348 C PHE A 25 -4.586 -9.430 3.128 1.00 0.00 C ATOM 349 O PHE A 25 -3.453 -9.237 2.685 1.00 0.00 O ATOM 350 CB PHE A 25 -5.928 -7.358 3.339 1.00 0.00 C ATOM 351 CG PHE A 25 -6.919 -7.804 2.284 1.00 0.00 C ATOM 352 CD1 PHE A 25 -8.251 -8.097 2.628 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.515 -7.856 0.934 1.00 0.00 C ATOM 354 CE1 PHE A 25 -9.176 -8.425 1.623 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.442 -8.183 -0.067 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.772 -8.473 0.278 1.00 0.00 C ATOM 0 H PHE A 25 -3.312 -7.579 4.211 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.873 -8.959 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.460 -6.741 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.188 -6.718 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.562 -8.070 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.490 -7.644 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.201 -8.641 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.133 -8.212 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.485 -8.733 -0.491 1.00 0.00 H new ATOM 366 N VAL A 26 -5.358 -10.447 2.765 1.00 0.00 N ATOM 367 CA VAL A 26 -4.943 -11.488 1.852 1.00 0.00 C ATOM 368 C VAL A 26 -6.083 -11.823 0.891 1.00 0.00 C ATOM 369 O VAL A 26 -7.190 -12.136 1.347 1.00 0.00 O ATOM 370 CB VAL A 26 -4.384 -12.675 2.651 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.465 -13.568 3.246 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.447 -13.522 1.783 1.00 0.00 C ATOM 0 H VAL A 26 -6.311 -10.567 3.109 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.125 -11.156 1.213 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.832 -12.237 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.999 -14.385 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.088 -12.983 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.082 -13.975 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.063 -14.357 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.995 -13.905 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.615 -12.907 1.439 1.00 0.00 H new ATOM 382 N HIS A 27 -5.844 -11.775 -0.421 1.00 0.00 N ATOM 383 CA HIS A 27 -6.826 -12.265 -1.395 1.00 0.00 C ATOM 384 C HIS A 27 -6.322 -13.444 -2.234 1.00 0.00 C ATOM 385 O HIS A 27 -5.316 -14.063 -1.919 1.00 0.00 O ATOM 386 CB HIS A 27 -7.410 -11.107 -2.194 1.00 0.00 C ATOM 387 CG HIS A 27 -6.422 -10.305 -2.986 1.00 0.00 C ATOM 388 ND1 HIS A 27 -5.054 -10.357 -2.963 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -6.784 -9.329 -3.864 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -4.568 -9.375 -3.817 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -5.657 -8.791 -4.331 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.987 -11.405 -0.833 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.657 -12.704 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.161 -11.503 -2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.926 -10.438 -1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.791 -9.045 -4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.535 -9.135 -4.022 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.628 -8.023 -5.002 1.00 0.00 H new ATOM 399 N GLU A 28 -7.062 -13.768 -3.285 1.00 0.00 N ATOM 400 CA GLU A 28 -7.030 -15.012 -4.055 1.00 0.00 C ATOM 401 C GLU A 28 -5.982 -15.086 -5.168 1.00 0.00 C ATOM 402 O GLU A 28 -6.060 -15.954 -6.040 1.00 0.00 O ATOM 403 CB GLU A 28 -8.438 -15.214 -4.649 1.00 0.00 C ATOM 404 CG GLU A 28 -9.574 -15.146 -3.613 1.00 0.00 C ATOM 405 CD GLU A 28 -10.967 -15.030 -4.235 1.00 0.00 C ATOM 406 OE1 GLU A 28 -11.191 -15.438 -5.394 1.00 0.00 O ATOM 407 OE2 GLU A 28 -11.842 -14.443 -3.550 1.00 0.00 O ATOM 0 H GLU A 28 -7.757 -13.119 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.735 -15.802 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.611 -14.455 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.474 -16.182 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.538 -16.038 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.406 -14.291 -2.958 1.00 0.00 H new ATOM 414 N GLY A 29 -5.036 -14.150 -5.196 1.00 0.00 N ATOM 415 CA GLY A 29 -4.194 -13.925 -6.370 1.00 0.00 C ATOM 416 C GLY A 29 -5.032 -13.450 -7.564 1.00 0.00 C ATOM 417 O GLY A 29 -6.245 -13.231 -7.437 1.00 0.00 O ATOM 0 H GLY A 29 -4.832 -13.530 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.431 -13.182 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.673 -14.846 -6.630 1.00 0.00 H new ATOM 421 N GLY A 30 -4.395 -13.258 -8.718 1.00 0.00 N ATOM 422 CA GLY A 30 -4.993 -12.596 -9.867 1.00 0.00 C ATOM 423 C GLY A 30 -4.880 -11.091 -9.657 1.00 0.00 C ATOM 424 O GLY A 30 -5.177 -10.594 -8.564 1.00 0.00 O ATOM 0 H GLY A 30 -3.435 -13.564 -8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.484 -12.892 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.038 -12.888 -9.974 1.00 0.00 H new ATOM 428 N ASP A 31 -4.444 -10.357 -10.679 1.00 0.00 N ATOM 429 CA ASP A 31 -4.189 -8.925 -10.555 1.00 0.00 C ATOM 430 C ASP A 31 -5.466 -8.164 -10.202 1.00 0.00 C ATOM 431 O ASP A 31 -6.576 -8.609 -10.528 1.00 0.00 O ATOM 432 CB ASP A 31 -3.500 -8.357 -11.794 1.00 0.00 C ATOM 433 CG ASP A 31 -4.471 -8.134 -12.945 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.984 -9.123 -13.510 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.726 -6.964 -13.302 1.00 0.00 O ATOM 0 H ASP A 31 -4.259 -10.735 -11.608 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.493 -8.787 -9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.020 -7.412 -11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.712 -9.039 -12.113 1.00 0.00 H new ATOM 440 N VAL A 32 -5.327 -7.050 -9.477 1.00 0.00 N ATOM 441 CA VAL A 32 -6.471 -6.370 -8.872 1.00 0.00 C ATOM 442 C VAL A 32 -6.016 -4.963 -8.566 1.00 0.00 C ATOM 443 O VAL A 32 -4.888 -4.792 -8.118 1.00 0.00 O ATOM 444 CB VAL A 32 -7.011 -7.119 -7.632 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.085 -6.308 -6.329 1.00 0.00 C ATOM 446 CG2 VAL A 32 -8.418 -7.675 -7.868 1.00 0.00 C ATOM 0 H VAL A 32 -4.429 -6.601 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.320 -6.349 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.265 -7.903 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.478 -6.937 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.088 -5.961 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.742 -5.450 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.759 -8.194 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.100 -6.855 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.398 -8.372 -8.705 1.00 0.00 H new ATOM 456 N PRO A 33 -6.861 -3.957 -8.777 1.00 0.00 N ATOM 457 CA PRO A 33 -6.442 -2.589 -8.663 1.00 0.00 C ATOM 458 C PRO A 33 -6.315 -2.178 -7.203 1.00 0.00 C ATOM 459 O PRO A 33 -7.071 -2.616 -6.321 1.00 0.00 O ATOM 460 CB PRO A 33 -7.497 -1.810 -9.444 1.00 0.00 C ATOM 461 CG PRO A 33 -8.769 -2.629 -9.219 1.00 0.00 C ATOM 462 CD PRO A 33 -8.247 -4.066 -9.182 1.00 0.00 C ATOM 0 HA PRO A 33 -5.449 -2.398 -9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.603 -0.791 -9.073 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.245 -1.739 -10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.266 -2.356 -8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.492 -2.482 -10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.816 -4.674 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.335 -4.542 -10.158 1.00 0.00 H new ATOM 470 N LEU A 34 -5.406 -1.227 -6.979 1.00 0.00 N ATOM 471 CA LEU A 34 -5.210 -0.589 -5.687 1.00 0.00 C ATOM 472 C LEU A 34 -6.537 -0.122 -5.065 1.00 0.00 C ATOM 473 O LEU A 34 -6.734 -0.296 -3.867 1.00 0.00 O ATOM 474 CB LEU A 34 -4.022 0.381 -5.718 1.00 0.00 C ATOM 475 CG LEU A 34 -4.212 1.786 -6.289 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.832 2.405 -6.515 1.00 0.00 C ATOM 477 CD2 LEU A 34 -5.009 1.861 -7.596 1.00 0.00 C ATOM 0 H LEU A 34 -4.779 -0.877 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.883 -1.319 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.663 0.490 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.224 -0.097 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.805 2.331 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.946 3.409 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.297 2.457 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.268 1.790 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.086 2.900 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.500 1.281 -8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.008 1.455 -7.437 1.00 0.00 H new ATOM 489 N VAL A 35 -7.508 0.327 -5.871 1.00 0.00 N ATOM 490 CA VAL A 35 -8.824 0.767 -5.411 1.00 0.00 C ATOM 491 C VAL A 35 -9.671 -0.347 -4.839 1.00 0.00 C ATOM 492 O VAL A 35 -10.454 -0.065 -3.938 1.00 0.00 O ATOM 493 CB VAL A 35 -9.529 1.583 -6.523 1.00 0.00 C ATOM 494 CG1 VAL A 35 -10.006 0.735 -7.708 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.725 2.403 -6.024 1.00 0.00 C ATOM 0 H VAL A 35 -7.394 0.394 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.674 1.432 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.742 2.258 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.489 1.378 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.152 0.237 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.717 -0.013 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.167 2.947 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.470 1.734 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.390 3.111 -5.266 1.00 0.00 H new ATOM 505 N GLU A 36 -9.520 -1.586 -5.289 1.00 0.00 N ATOM 506 CA GLU A 36 -10.312 -2.678 -4.763 1.00 0.00 C ATOM 507 C GLU A 36 -9.572 -3.326 -3.607 1.00 0.00 C ATOM 508 O GLU A 36 -10.208 -3.610 -2.592 1.00 0.00 O ATOM 509 CB GLU A 36 -10.642 -3.681 -5.877 1.00 0.00 C ATOM 510 CG GLU A 36 -11.626 -3.088 -6.898 1.00 0.00 C ATOM 511 CD GLU A 36 -12.994 -2.807 -6.270 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.779 -3.763 -6.064 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.263 -1.647 -5.878 1.00 0.00 O ATOM 0 H GLU A 36 -8.856 -1.854 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.261 -2.300 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.724 -3.977 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.070 -4.583 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.215 -2.164 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.744 -3.779 -7.733 1.00 0.00 H new ATOM 520 N LEU A 37 -8.246 -3.498 -3.696 1.00 0.00 N ATOM 521 CA LEU A 37 -7.504 -4.210 -2.670 1.00 0.00 C ATOM 522 C LEU A 37 -7.448 -3.346 -1.438 1.00 0.00 C ATOM 523 O LEU A 37 -7.434 -3.915 -0.362 1.00 0.00 O ATOM 524 CB LEU A 37 -6.098 -4.653 -3.108 1.00 0.00 C ATOM 525 CG LEU A 37 -5.130 -3.519 -3.478 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.294 -2.981 -2.311 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.152 -3.992 -4.552 1.00 0.00 C ATOM 0 H LEU A 37 -7.676 -3.152 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.032 -5.140 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.653 -5.238 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.197 -5.317 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.774 -2.711 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.641 -2.184 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.956 -2.589 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.689 -3.787 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.471 -3.180 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.581 -4.841 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.706 -4.293 -5.441 1.00 0.00 H new ATOM 539 N LEU A 38 -7.443 -2.007 -1.531 1.00 0.00 N ATOM 540 CA LEU A 38 -7.233 -1.185 -0.369 1.00 0.00 C ATOM 541 C LEU A 38 -8.560 -0.919 0.340 1.00 0.00 C ATOM 542 O LEU A 38 -8.580 -0.650 1.538 1.00 0.00 O ATOM 543 CB LEU A 38 -6.360 0.055 -0.668 1.00 0.00 C ATOM 544 CG LEU A 38 -7.051 1.431 -0.669 1.00 0.00 C ATOM 545 CD1 LEU A 38 -5.989 2.539 -0.695 1.00 0.00 C ATOM 546 CD2 LEU A 38 -7.997 1.708 -1.831 1.00 0.00 C ATOM 0 H LEU A 38 -7.582 -1.491 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.627 -1.731 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.555 0.084 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.896 -0.088 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.656 1.419 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.479 3.513 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.353 2.454 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.380 2.439 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.423 2.706 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.447 1.647 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.799 0.969 -1.832 1.00 0.00 H new ATOM 558 N VAL A 39 -9.673 -1.041 -0.379 1.00 0.00 N ATOM 559 CA VAL A 39 -11.024 -0.994 0.175 1.00 0.00 C ATOM 560 C VAL A 39 -11.265 -2.306 0.910 1.00 0.00 C ATOM 561 O VAL A 39 -11.621 -2.296 2.089 1.00 0.00 O ATOM 562 CB VAL A 39 -12.015 -0.697 -0.974 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.066 -1.760 -1.330 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.743 0.628 -0.759 1.00 0.00 C ATOM 0 H VAL A 39 -9.660 -1.179 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.167 -0.196 0.903 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.336 -0.676 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.682 -1.401 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.565 -2.682 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.697 -1.953 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.431 0.804 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.302 0.588 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.016 1.439 -0.713 1.00 0.00 H new ATOM 574 N SER A 40 -10.998 -3.418 0.226 1.00 0.00 N ATOM 575 CA SER A 40 -11.155 -4.762 0.749 1.00 0.00 C ATOM 576 C SER A 40 -10.206 -4.939 1.930 1.00 0.00 C ATOM 577 O SER A 40 -10.611 -5.465 2.966 1.00 0.00 O ATOM 578 CB SER A 40 -10.908 -5.791 -0.367 1.00 0.00 C ATOM 579 OG SER A 40 -11.699 -6.949 -0.196 1.00 0.00 O ATOM 0 H SER A 40 -10.657 -3.401 -0.735 1.00 0.00 H new ATOM 0 HA SER A 40 -12.172 -4.923 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.129 -5.339 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.854 -6.069 -0.379 1.00 0.00 H new ATOM 0 HG SER A 40 -11.140 -7.680 0.141 1.00 0.00 H new ATOM 585 N ALA A 41 -8.981 -4.402 1.836 1.00 0.00 N ATOM 586 CA ALA A 41 -8.029 -4.530 2.931 1.00 0.00 C ATOM 587 C ALA A 41 -8.319 -3.543 4.055 1.00 0.00 C ATOM 588 O ALA A 41 -7.948 -3.795 5.201 1.00 0.00 O ATOM 589 CB ALA A 41 -6.609 -4.359 2.407 1.00 0.00 C ATOM 0 H ALA A 41 -8.637 -3.886 1.026 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.133 -5.530 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.903 -4.456 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.402 -5.125 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.505 -3.373 1.954 1.00 0.00 H new ATOM 595 N GLY A 42 -9.026 -2.450 3.769 1.00 0.00 N ATOM 596 CA GLY A 42 -9.588 -1.604 4.807 1.00 0.00 C ATOM 597 C GLY A 42 -8.619 -0.493 5.160 1.00 0.00 C ATOM 598 O GLY A 42 -8.579 -0.019 6.294 1.00 0.00 O ATOM 0 H GLY A 42 -9.221 -2.133 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.532 -1.178 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.807 -2.200 5.693 1.00 0.00 H new ATOM 602 N ILE A 43 -7.878 -0.023 4.164 1.00 0.00 N ATOM 603 CA ILE A 43 -7.020 1.130 4.236 1.00 0.00 C ATOM 604 C ILE A 43 -7.955 2.341 4.137 1.00 0.00 C ATOM 605 O ILE A 43 -7.809 3.263 4.935 1.00 0.00 O ATOM 606 CB ILE A 43 -6.015 1.063 3.067 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.852 0.073 3.283 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.361 2.443 2.858 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.213 -1.394 3.113 1.00 0.00 C ATOM 0 H ILE A 43 -7.866 -0.464 3.244 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.436 1.188 5.154 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.605 0.730 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.053 0.318 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.453 0.219 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.653 2.389 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.131 3.179 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.836 2.738 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.329 -2.008 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.988 -1.664 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.581 -1.563 2.101 1.00 0.00 H new ATOM 621 N SER A 44 -8.947 2.330 3.233 1.00 0.00 N ATOM 622 CA SER A 44 -10.057 3.267 3.294 1.00 0.00 C ATOM 623 C SER A 44 -11.262 2.533 2.725 1.00 0.00 C ATOM 624 O SER A 44 -11.250 2.253 1.534 1.00 0.00 O ATOM 625 CB SER A 44 -9.738 4.536 2.503 1.00 0.00 C ATOM 626 OG SER A 44 -9.137 5.489 3.352 1.00 0.00 O ATOM 0 H SER A 44 -8.994 1.676 2.452 1.00 0.00 H new ATOM 0 HA SER A 44 -10.254 3.592 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.070 4.301 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.651 4.945 2.070 1.00 0.00 H new ATOM 0 HG SER A 44 -8.610 5.029 4.038 1.00 0.00 H new ATOM 632 N PRO A 45 -12.264 2.163 3.536 1.00 0.00 N ATOM 633 CA PRO A 45 -13.413 1.398 3.065 1.00 0.00 C ATOM 634 C PRO A 45 -14.469 2.257 2.363 1.00 0.00 C ATOM 635 O PRO A 45 -15.355 1.730 1.694 1.00 0.00 O ATOM 636 CB PRO A 45 -13.999 0.782 4.331 1.00 0.00 C ATOM 637 CG PRO A 45 -13.707 1.838 5.396 1.00 0.00 C ATOM 638 CD PRO A 45 -12.340 2.368 4.976 1.00 0.00 C ATOM 0 HA PRO A 45 -13.106 0.666 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.068 0.595 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.530 -0.172 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.461 2.625 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.684 1.408 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.235 3.423 5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.539 1.837 5.490 1.00 0.00 H new ATOM 646 N SER A 46 -14.415 3.578 2.527 1.00 0.00 N ATOM 647 CA SER A 46 -15.361 4.497 1.921 1.00 0.00 C ATOM 648 C SER A 46 -14.881 4.693 0.494 1.00 0.00 C ATOM 649 O SER A 46 -13.777 5.192 0.328 1.00 0.00 O ATOM 650 CB SER A 46 -15.382 5.787 2.734 1.00 0.00 C ATOM 651 OG SER A 46 -16.052 6.834 2.058 1.00 0.00 O ATOM 0 H SER A 46 -13.702 4.040 3.092 1.00 0.00 H new ATOM 0 HA SER A 46 -16.387 4.129 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.871 5.603 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.359 6.094 2.952 1.00 0.00 H new ATOM 0 HG SER A 46 -16.044 7.641 2.614 1.00 0.00 H new ATOM 657 N LYS A 47 -15.630 4.292 -0.537 1.00 0.00 N ATOM 658 CA LYS A 47 -15.101 4.230 -1.907 1.00 0.00 C ATOM 659 C LYS A 47 -14.582 5.590 -2.411 1.00 0.00 C ATOM 660 O LYS A 47 -13.640 5.636 -3.204 1.00 0.00 O ATOM 661 CB LYS A 47 -16.160 3.603 -2.841 1.00 0.00 C ATOM 662 CG LYS A 47 -15.591 2.458 -3.698 1.00 0.00 C ATOM 663 CD LYS A 47 -16.713 1.720 -4.452 1.00 0.00 C ATOM 664 CE LYS A 47 -16.207 0.590 -5.365 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.674 -0.569 -4.625 1.00 0.00 N ATOM 0 H LYS A 47 -16.605 4.005 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.222 3.586 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.989 3.226 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.564 4.375 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.870 2.857 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.053 1.755 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.412 1.303 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.268 2.440 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.024 0.258 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.429 0.983 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.823 -0.926 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.429 -0.280 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.393 -1.320 -4.591 1.00 0.00 H new ATOM 679 N ARG A 48 -15.150 6.712 -1.946 1.00 0.00 N ATOM 680 CA ARG A 48 -14.638 8.054 -2.263 1.00 0.00 C ATOM 681 C ARG A 48 -13.301 8.276 -1.551 1.00 0.00 C ATOM 682 O ARG A 48 -12.305 8.654 -2.185 1.00 0.00 O ATOM 683 CB ARG A 48 -15.671 9.131 -1.859 1.00 0.00 C ATOM 684 CG ARG A 48 -15.713 10.366 -2.779 1.00 0.00 C ATOM 685 CD ARG A 48 -14.382 11.076 -3.070 1.00 0.00 C ATOM 686 NE ARG A 48 -13.704 11.589 -1.867 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.660 12.429 -1.867 1.00 0.00 C ATOM 688 NH1 ARG A 48 -12.236 12.995 -2.996 1.00 0.00 N ATOM 689 NH2 ARG A 48 -12.052 12.696 -0.723 1.00 0.00 N ATOM 0 H ARG A 48 -15.973 6.716 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.475 8.135 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.661 8.675 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.453 9.460 -0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.148 10.062 -3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.393 11.093 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.716 10.382 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.566 11.905 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.058 11.280 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.708 12.791 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.440 13.632 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.379 12.265 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.256 13.333 -0.705 1.00 0.00 H new ATOM 703 N GLN A 49 -13.297 8.039 -0.230 1.00 0.00 N ATOM 704 CA GLN A 49 -12.106 8.220 0.579 1.00 0.00 C ATOM 705 C GLN A 49 -11.010 7.403 -0.037 1.00 0.00 C ATOM 706 O GLN A 49 -9.958 7.945 -0.299 1.00 0.00 O ATOM 707 CB GLN A 49 -12.307 7.755 2.025 1.00 0.00 C ATOM 708 CG GLN A 49 -11.224 8.298 2.970 1.00 0.00 C ATOM 709 CD GLN A 49 -11.052 9.815 2.886 1.00 0.00 C ATOM 710 OE1 GLN A 49 -12.020 10.568 2.952 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.836 10.291 2.687 1.00 0.00 N ATOM 0 H GLN A 49 -14.114 7.721 0.292 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.865 9.283 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.287 8.079 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.301 6.666 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.475 8.024 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.274 7.818 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.041 9.654 2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.692 11.296 2.586 1.00 0.00 H new ATOM 720 N ALA A 50 -11.312 6.137 -0.309 1.00 0.00 N ATOM 721 CA ALA A 50 -10.465 5.182 -0.964 1.00 0.00 C ATOM 722 C ALA A 50 -9.840 5.804 -2.201 1.00 0.00 C ATOM 723 O ALA A 50 -8.622 5.883 -2.283 1.00 0.00 O ATOM 724 CB ALA A 50 -11.256 3.919 -1.316 1.00 0.00 C ATOM 0 H ALA A 50 -12.216 5.739 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.662 4.893 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.599 3.205 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.654 3.473 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.079 4.179 -1.982 1.00 0.00 H new ATOM 730 N ARG A 51 -10.660 6.277 -3.147 1.00 0.00 N ATOM 731 CA ARG A 51 -10.120 6.865 -4.363 1.00 0.00 C ATOM 732 C ARG A 51 -9.198 8.045 -4.100 1.00 0.00 C ATOM 733 O ARG A 51 -8.220 8.163 -4.832 1.00 0.00 O ATOM 734 CB ARG A 51 -11.212 7.164 -5.403 1.00 0.00 C ATOM 735 CG ARG A 51 -11.517 5.876 -6.186 1.00 0.00 C ATOM 736 CD ARG A 51 -12.443 6.088 -7.391 1.00 0.00 C ATOM 737 NE ARG A 51 -12.240 5.013 -8.380 1.00 0.00 N ATOM 738 CZ ARG A 51 -13.021 3.977 -8.705 1.00 0.00 C ATOM 739 NH1 ARG A 51 -14.248 3.851 -8.204 1.00 0.00 N ATOM 740 NH2 ARG A 51 -12.542 3.061 -9.541 1.00 0.00 N ATOM 0 H ARG A 51 -11.678 6.262 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.481 6.103 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.113 7.528 -4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.881 7.949 -6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.579 5.442 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.974 5.152 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.482 6.100 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.242 7.057 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.364 5.068 -8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.610 4.553 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.826 3.053 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.599 3.158 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.117 2.261 -9.805 1.00 0.00 H new ATOM 754 N GLU A 52 -9.415 8.872 -3.076 1.00 0.00 N ATOM 755 CA GLU A 52 -8.398 9.897 -2.795 1.00 0.00 C ATOM 756 C GLU A 52 -7.208 9.354 -2.003 1.00 0.00 C ATOM 757 O GLU A 52 -6.074 9.761 -2.247 1.00 0.00 O ATOM 758 CB GLU A 52 -9.008 11.130 -2.113 1.00 0.00 C ATOM 759 CG GLU A 52 -7.937 12.232 -2.041 1.00 0.00 C ATOM 760 CD GLU A 52 -8.370 13.542 -1.404 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.582 13.777 -1.198 1.00 0.00 O ATOM 762 OE2 GLU A 52 -7.476 14.375 -1.132 1.00 0.00 O ATOM 0 H GLU A 52 -10.228 8.863 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.008 10.210 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.875 11.481 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.356 10.875 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.083 11.845 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.590 12.440 -3.053 1.00 0.00 H new ATOM 769 N ASP A 53 -7.429 8.413 -1.097 1.00 0.00 N ATOM 770 CA ASP A 53 -6.412 7.749 -0.312 1.00 0.00 C ATOM 771 C ASP A 53 -5.491 6.928 -1.189 1.00 0.00 C ATOM 772 O ASP A 53 -4.412 6.550 -0.748 1.00 0.00 O ATOM 773 CB ASP A 53 -7.075 6.867 0.751 1.00 0.00 C ATOM 774 CG ASP A 53 -7.139 7.550 2.120 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.602 8.706 2.240 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.673 6.954 3.120 1.00 0.00 O ATOM 0 H ASP A 53 -8.369 8.080 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.805 8.508 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.084 6.611 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.522 5.932 0.840 1.00 0.00 H new ATOM 781 N ILE A 54 -5.914 6.676 -2.420 1.00 0.00 N ATOM 782 CA ILE A 54 -5.098 6.221 -3.497 1.00 0.00 C ATOM 783 C ILE A 54 -4.489 7.409 -4.179 1.00 0.00 C ATOM 784 O ILE A 54 -3.285 7.448 -4.250 1.00 0.00 O ATOM 785 CB ILE A 54 -5.912 5.445 -4.538 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.518 4.177 -3.942 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.082 5.106 -5.787 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.693 3.750 -4.804 1.00 0.00 C ATOM 0 H ILE A 54 -6.890 6.795 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.336 5.560 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.725 6.102 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.771 3.384 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.846 4.359 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.700 4.556 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.729 6.027 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.227 4.494 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.137 2.844 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.439 4.545 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.347 3.554 -5.819 1.00 0.00 H new ATOM 800 N GLN A 55 -5.278 8.317 -4.755 1.00 0.00 N ATOM 801 CA GLN A 55 -4.775 9.281 -5.715 1.00 0.00 C ATOM 802 C GLN A 55 -3.932 10.384 -5.104 1.00 0.00 C ATOM 803 O GLN A 55 -3.364 11.196 -5.834 1.00 0.00 O ATOM 804 CB GLN A 55 -5.929 9.807 -6.557 1.00 0.00 C ATOM 805 CG GLN A 55 -6.386 8.672 -7.484 1.00 0.00 C ATOM 806 CD GLN A 55 -7.358 9.162 -8.542 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.552 8.869 -8.518 1.00 0.00 O ATOM 808 NE2 GLN A 55 -6.853 9.897 -9.515 1.00 0.00 N ATOM 0 H GLN A 55 -6.277 8.399 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.074 8.760 -6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.750 10.134 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.614 10.673 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.517 8.226 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.858 7.888 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.860 10.129 -9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.456 10.233 -10.266 1.00 0.00 H new ATOM 817 N ASN A 56 -3.822 10.441 -3.786 1.00 0.00 N ATOM 818 CA ASN A 56 -2.777 11.221 -3.166 1.00 0.00 C ATOM 819 C ASN A 56 -1.507 10.408 -3.189 1.00 0.00 C ATOM 820 O ASN A 56 -1.471 9.299 -2.675 1.00 0.00 O ATOM 821 CB ASN A 56 -3.129 11.539 -1.700 1.00 0.00 C ATOM 822 CG ASN A 56 -3.972 12.792 -1.500 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.772 13.540 -0.547 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.931 13.071 -2.361 1.00 0.00 N ATOM 0 H ASN A 56 -4.441 9.959 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.659 12.158 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.663 10.688 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.203 11.647 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.503 13.906 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.100 12.452 -3.154 1.00 0.00 H new ATOM 831 N GLY A 57 -0.410 11.020 -3.623 1.00 0.00 N ATOM 832 CA GLY A 57 0.936 10.483 -3.465 1.00 0.00 C ATOM 833 C GLY A 57 1.350 10.194 -2.015 1.00 0.00 C ATOM 834 O GLY A 57 2.475 9.772 -1.778 1.00 0.00 O ATOM 0 H GLY A 57 -0.433 11.920 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.013 9.561 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.646 11.188 -3.897 1.00 0.00 H new ATOM 838 N ALA A 58 0.452 10.392 -1.051 1.00 0.00 N ATOM 839 CA ALA A 58 0.560 10.000 0.331 1.00 0.00 C ATOM 840 C ALA A 58 0.251 8.520 0.516 1.00 0.00 C ATOM 841 O ALA A 58 0.010 8.110 1.644 1.00 0.00 O ATOM 842 CB ALA A 58 -0.361 10.893 1.147 1.00 0.00 C ATOM 0 H ALA A 58 -0.430 10.866 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 58 1.584 10.130 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.298 10.616 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.059 11.933 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.387 10.770 0.801 1.00 0.00 H new ATOM 848 N ILE A 59 0.151 7.714 -0.534 1.00 0.00 N ATOM 849 CA ILE A 59 0.208 6.273 -0.443 1.00 0.00 C ATOM 850 C ILE A 59 1.522 5.892 -1.125 1.00 0.00 C ATOM 851 O ILE A 59 1.675 5.758 -2.346 1.00 0.00 O ATOM 852 CB ILE A 59 -1.159 5.739 -0.828 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.402 4.247 -0.684 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.688 6.280 -2.149 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.521 3.450 -1.635 1.00 0.00 C ATOM 0 H ILE A 59 0.026 8.057 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 59 0.310 5.773 0.520 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.765 6.163 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.202 3.941 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.450 4.026 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.669 5.850 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.773 7.365 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.002 6.013 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.718 2.386 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.740 3.739 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.527 3.653 -1.416 1.00 0.00 H new ATOM 867 N TYR A 60 2.530 5.862 -0.254 1.00 0.00 N ATOM 868 CA TYR A 60 3.856 5.390 -0.537 1.00 0.00 C ATOM 869 C TYR A 60 3.750 3.874 -0.477 1.00 0.00 C ATOM 870 O TYR A 60 3.745 3.279 0.601 1.00 0.00 O ATOM 871 CB TYR A 60 4.894 5.992 0.433 1.00 0.00 C ATOM 872 CG TYR A 60 4.535 7.311 1.114 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.341 8.486 0.363 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.399 7.370 2.516 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.008 9.694 1.004 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.035 8.562 3.160 1.00 0.00 C ATOM 877 CZ TYR A 60 3.820 9.729 2.403 1.00 0.00 C ATOM 878 OH TYR A 60 3.442 10.867 3.045 1.00 0.00 O ATOM 0 H TYR A 60 2.424 6.184 0.708 1.00 0.00 H new ATOM 0 HA TYR A 60 4.219 5.704 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.096 5.255 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.824 6.138 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.448 8.460 -0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.578 6.482 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.896 10.598 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.920 8.584 4.234 1.00 0.00 H new ATOM 0 HH TYR A 60 3.364 10.690 4.006 1.00 0.00 H new ATOM 888 N VAL A 61 3.588 3.227 -1.619 1.00 0.00 N ATOM 889 CA VAL A 61 3.513 1.774 -1.645 1.00 0.00 C ATOM 890 C VAL A 61 4.964 1.346 -1.522 1.00 0.00 C ATOM 891 O VAL A 61 5.792 1.938 -2.202 1.00 0.00 O ATOM 892 CB VAL A 61 2.860 1.293 -2.958 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.778 1.404 -4.182 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.461 -0.172 -2.831 1.00 0.00 C ATOM 0 H VAL A 61 3.507 3.677 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 61 2.897 1.348 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 61 2.001 1.946 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.250 1.048 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.067 2.445 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.670 0.798 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.001 -0.506 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.347 -0.774 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.750 -0.286 -2.013 1.00 0.00 H new ATOM 904 N ASN A 62 5.347 0.373 -0.691 1.00 0.00 N ATOM 905 CA ASN A 62 6.737 -0.090 -0.727 1.00 0.00 C ATOM 906 C ASN A 62 7.778 1.006 -0.413 1.00 0.00 C ATOM 907 O ASN A 62 8.971 0.806 -0.625 1.00 0.00 O ATOM 908 CB ASN A 62 6.953 -0.840 -2.055 1.00 0.00 C ATOM 909 CG ASN A 62 6.852 -2.323 -1.869 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.673 -3.003 -2.627 1.00 0.00 O flip ATOM 911 ND2 ASN A 62 6.046 -2.844 -1.101 1.00 0.00 N flip ATOM 0 H ASN A 62 4.745 -0.093 -0.012 1.00 0.00 H new ATOM 0 HA ASN A 62 6.910 -0.787 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.212 -0.512 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.933 -0.589 -2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.431 -2.260 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.992 -3.860 -1.030 1.00 0.00 H new ATOM 918 N GLY A 63 7.333 2.145 0.136 1.00 0.00 N ATOM 919 CA GLY A 63 8.139 3.327 0.402 1.00 0.00 C ATOM 920 C GLY A 63 8.084 4.375 -0.715 1.00 0.00 C ATOM 921 O GLY A 63 8.606 5.474 -0.519 1.00 0.00 O ATOM 0 H GLY A 63 6.359 2.265 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.802 3.783 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.175 3.023 0.552 1.00 0.00 H new ATOM 925 N GLU A 64 7.420 4.112 -1.842 1.00 0.00 N ATOM 926 CA GLU A 64 7.522 4.878 -3.071 1.00 0.00 C ATOM 927 C GLU A 64 6.130 5.390 -3.441 1.00 0.00 C ATOM 928 O GLU A 64 5.152 4.649 -3.417 1.00 0.00 O ATOM 929 CB GLU A 64 8.220 4.046 -4.164 1.00 0.00 C ATOM 930 CG GLU A 64 7.528 2.779 -4.711 1.00 0.00 C ATOM 931 CD GLU A 64 8.188 2.263 -5.999 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.530 3.103 -6.867 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.376 1.033 -6.165 1.00 0.00 O ATOM 0 H GLU A 64 6.773 3.327 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 64 8.155 5.756 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.406 4.708 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.193 3.745 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.556 1.997 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.478 2.997 -4.906 1.00 0.00 H new ATOM 940 N ARG A 65 6.005 6.692 -3.683 1.00 0.00 N ATOM 941 CA ARG A 65 4.746 7.395 -3.902 1.00 0.00 C ATOM 942 C ARG A 65 4.102 6.839 -5.159 1.00 0.00 C ATOM 943 O ARG A 65 4.573 7.189 -6.239 1.00 0.00 O ATOM 944 CB ARG A 65 5.089 8.901 -4.043 1.00 0.00 C ATOM 945 CG ARG A 65 3.970 9.828 -4.562 1.00 0.00 C ATOM 946 CD ARG A 65 4.310 10.623 -5.842 1.00 0.00 C ATOM 947 NE ARG A 65 4.258 9.805 -7.067 1.00 0.00 N ATOM 948 CZ ARG A 65 4.120 10.248 -8.322 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.161 11.547 -8.593 1.00 0.00 N ATOM 950 NH2 ARG A 65 3.908 9.390 -9.312 1.00 0.00 N ATOM 0 H ARG A 65 6.814 7.312 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 65 4.041 7.264 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.408 9.269 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.943 8.993 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.082 9.226 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.712 10.535 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.614 11.456 -5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.307 11.051 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 65 4.335 8.795 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.299 12.221 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.054 11.871 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.850 8.391 -9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.803 9.730 -10.268 1.00 0.00 H new ATOM 964 N LEU A 66 3.052 6.016 -5.070 1.00 0.00 N ATOM 965 CA LEU A 66 2.415 5.473 -6.266 1.00 0.00 C ATOM 966 C LEU A 66 0.903 5.479 -6.039 1.00 0.00 C ATOM 967 O LEU A 66 0.357 4.647 -5.321 1.00 0.00 O ATOM 968 CB LEU A 66 2.991 4.104 -6.614 1.00 0.00 C ATOM 969 CG LEU A 66 4.429 4.116 -7.170 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.846 2.684 -7.454 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.608 4.889 -8.480 1.00 0.00 C ATOM 0 H LEU A 66 2.631 5.716 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 66 2.622 6.090 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.970 3.481 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.339 3.630 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 66 5.032 4.613 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.862 2.672 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.808 2.104 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.167 2.246 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.651 4.841 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.978 4.447 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.322 5.930 -8.330 1.00 0.00 H new ATOM 983 N GLN A 67 0.248 6.479 -6.621 1.00 0.00 N ATOM 984 CA GLN A 67 -1.137 6.902 -6.428 1.00 0.00 C ATOM 985 C GLN A 67 -1.998 6.504 -7.641 1.00 0.00 C ATOM 986 O GLN A 67 -2.998 7.155 -7.968 1.00 0.00 O ATOM 987 CB GLN A 67 -1.092 8.421 -6.066 1.00 0.00 C ATOM 988 CG GLN A 67 -1.180 9.530 -7.117 1.00 0.00 C ATOM 989 CD GLN A 67 -0.264 9.340 -8.309 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.031 9.476 -8.101 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 -0.717 9.073 -9.416 1.00 0.00 N flip ATOM 0 H GLN A 67 0.718 7.071 -7.306 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.637 6.394 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.906 8.596 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.161 8.582 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.208 9.596 -7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.945 10.483 -6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.724 8.974 -9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.087 8.950 -10.209 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.599 5.442 -8.347 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.070 5.111 -9.683 1.00 0.00 C ATOM 1002 C ASP A 68 -2.285 3.609 -9.862 1.00 0.00 C ATOM 1003 O ASP A 68 -1.409 2.806 -9.553 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.061 5.651 -10.695 1.00 0.00 C ATOM 1005 CG ASP A 68 -1.521 5.515 -12.142 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -2.716 5.232 -12.385 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -0.666 5.726 -13.036 1.00 0.00 O ATOM 0 H ASP A 68 -0.918 4.772 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.043 5.575 -9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.869 6.702 -10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.116 5.123 -10.571 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.445 3.234 -10.397 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.786 1.899 -10.893 1.00 0.00 C ATOM 1014 C VAL A 69 -2.833 1.478 -12.001 1.00 0.00 C ATOM 1015 O VAL A 69 -2.397 0.332 -12.042 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.269 1.951 -11.315 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.591 2.888 -12.492 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -5.848 0.563 -11.580 1.00 0.00 C ATOM 0 H VAL A 69 -4.218 3.891 -10.503 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.669 1.130 -10.130 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.757 2.388 -10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.659 2.849 -12.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.310 3.909 -12.232 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.032 2.571 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.894 0.655 -11.874 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.287 0.082 -12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.777 -0.040 -10.675 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.423 2.431 -12.833 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.406 2.184 -13.835 1.00 0.00 C ATOM 1030 C GLY A 70 -0.040 1.885 -13.228 1.00 0.00 C ATOM 1031 O GLY A 70 0.827 1.360 -13.926 1.00 0.00 O ATOM 0 H GLY A 70 -2.785 3.384 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.713 1.345 -14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.326 3.054 -14.487 1.00 0.00 H new ATOM 1035 N ALA A 71 0.187 2.256 -11.969 1.00 0.00 N ATOM 1036 CA ALA A 71 1.375 1.922 -11.200 1.00 0.00 C ATOM 1037 C ALA A 71 1.262 0.630 -10.387 1.00 0.00 C ATOM 1038 O ALA A 71 2.274 -0.061 -10.250 1.00 0.00 O ATOM 1039 CB ALA A 71 1.800 3.088 -10.313 1.00 0.00 C ATOM 0 H ALA A 71 -0.480 2.819 -11.440 1.00 0.00 H new ATOM 0 HA ALA A 71 2.152 1.732 -11.941 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.691 2.811 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.020 3.956 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.994 3.331 -9.621 1.00 0.00 H new ATOM 1045 N ILE A 72 0.108 0.298 -9.781 1.00 0.00 N ATOM 1046 CA ILE A 72 0.006 -0.851 -8.889 1.00 0.00 C ATOM 1047 C ILE A 72 -1.341 -1.557 -9.068 1.00 0.00 C ATOM 1048 O ILE A 72 -2.394 -0.939 -8.868 1.00 0.00 O ATOM 1049 CB ILE A 72 0.205 -0.475 -7.419 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.268 0.603 -7.132 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.648 -1.744 -6.652 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.750 1.431 -5.957 1.00 0.00 C ATOM 0 H ILE A 72 -0.763 0.815 -9.899 1.00 0.00 H new ATOM 0 HA ILE A 72 0.813 -1.531 -9.164 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.753 -0.061 -7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.227 0.145 -6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.427 1.232 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.796 -1.500 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.122 -2.511 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.582 -2.116 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.472 2.211 -5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.202 1.888 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.610 0.785 -5.090 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.298 -2.856 -9.380 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.401 -3.764 -9.267 1.00 0.00 C ATOM 1066 C LEU A 73 -2.013 -4.615 -8.053 1.00 0.00 C ATOM 1067 O LEU A 73 -2.178 -4.147 -6.928 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.713 -4.449 -10.613 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.047 -3.406 -11.714 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.159 -4.031 -13.103 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.335 -2.626 -11.458 1.00 0.00 C ATOM 0 H LEU A 73 -0.451 -3.304 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.381 -3.327 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.858 -5.049 -10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.553 -5.132 -10.489 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.202 -2.719 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.394 -3.256 -13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.213 -4.503 -13.367 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.951 -4.780 -13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.499 -1.918 -12.270 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.175 -3.318 -11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.251 -2.084 -10.516 1.00 0.00 H new ATOM 1083 N THR A 74 -1.395 -5.780 -8.226 1.00 0.00 N ATOM 1084 CA THR A 74 -1.118 -6.706 -7.132 1.00 0.00 C ATOM 1085 C THR A 74 0.309 -6.621 -6.578 1.00 0.00 C ATOM 1086 O THR A 74 1.091 -5.740 -6.927 1.00 0.00 O ATOM 1087 CB THR A 74 -1.492 -8.119 -7.605 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.303 -8.282 -8.997 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.949 -8.356 -7.215 1.00 0.00 C ATOM 0 H THR A 74 -1.070 -6.110 -9.135 1.00 0.00 H new ATOM 0 HA THR A 74 -1.730 -6.423 -6.276 1.00 0.00 H new ATOM 0 HB THR A 74 -0.840 -8.852 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.914 -9.164 -9.173 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.254 -9.352 -7.535 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.054 -8.274 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.581 -7.611 -7.698 1.00 0.00 H new ATOM 1097 N ALA A 75 0.660 -7.542 -5.675 1.00 0.00 N ATOM 1098 CA ALA A 75 1.996 -7.644 -5.114 1.00 0.00 C ATOM 1099 C ALA A 75 3.056 -7.877 -6.180 1.00 0.00 C ATOM 1100 O ALA A 75 4.127 -7.285 -6.096 1.00 0.00 O ATOM 1101 CB ALA A 75 2.027 -8.778 -4.091 1.00 0.00 C ATOM 0 H ALA A 75 0.012 -8.242 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 75 2.229 -6.694 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.028 -8.858 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.312 -8.570 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.763 -9.716 -4.580 1.00 0.00 H new ATOM 1107 N GLU A 76 2.779 -8.724 -7.170 1.00 0.00 N ATOM 1108 CA GLU A 76 3.656 -8.954 -8.321 1.00 0.00 C ATOM 1109 C GLU A 76 3.806 -7.719 -9.204 1.00 0.00 C ATOM 1110 O GLU A 76 4.719 -7.642 -10.025 1.00 0.00 O ATOM 1111 CB GLU A 76 3.097 -10.109 -9.158 1.00 0.00 C ATOM 1112 CG GLU A 76 1.727 -9.751 -9.768 1.00 0.00 C ATOM 1113 CD GLU A 76 0.779 -10.934 -9.835 1.00 0.00 C ATOM 1114 OE1 GLU A 76 1.175 -11.979 -10.405 1.00 0.00 O ATOM 1115 OE2 GLU A 76 -0.361 -10.799 -9.331 1.00 0.00 O ATOM 0 H GLU A 76 1.924 -9.280 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 76 4.645 -9.197 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.799 -10.355 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.998 -10.998 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.268 -8.958 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.875 -9.354 -10.772 1.00 0.00 H new ATOM 1122 N HIS A 77 2.894 -6.768 -9.041 1.00 0.00 N ATOM 1123 CA HIS A 77 2.869 -5.494 -9.715 1.00 0.00 C ATOM 1124 C HIS A 77 3.573 -4.436 -8.849 1.00 0.00 C ATOM 1125 O HIS A 77 3.566 -3.249 -9.207 1.00 0.00 O ATOM 1126 CB HIS A 77 1.403 -5.164 -9.975 1.00 0.00 C ATOM 1127 CG HIS A 77 1.178 -4.183 -11.083 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.468 -2.850 -11.012 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.374 -4.375 -12.167 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.748 -2.224 -11.944 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.098 -3.113 -12.710 1.00 0.00 N ATOM 0 H HIS A 77 2.112 -6.881 -8.396 1.00 0.00 H new ATOM 0 HA HIS A 77 3.405 -5.517 -10.664 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.871 -6.086 -10.209 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.965 -4.767 -9.060 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.120 -2.411 -10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.016 -5.324 -12.538 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.696 -1.152 -12.065 1.00 0.00 H new ATOM 1139 N ARG A 78 4.162 -4.817 -7.696 1.00 0.00 N ATOM 1140 CA ARG A 78 5.008 -3.911 -6.936 1.00 0.00 C ATOM 1141 C ARG A 78 6.362 -4.534 -6.610 1.00 0.00 C ATOM 1142 O ARG A 78 7.374 -3.967 -7.011 1.00 0.00 O ATOM 1143 CB ARG A 78 4.251 -3.324 -5.740 1.00 0.00 C ATOM 1144 CG ARG A 78 4.800 -1.996 -5.175 1.00 0.00 C ATOM 1145 CD ARG A 78 5.671 -1.103 -6.087 1.00 0.00 C ATOM 1146 NE ARG A 78 5.006 -0.727 -7.350 1.00 0.00 N ATOM 1147 CZ ARG A 78 5.648 -0.296 -8.446 1.00 0.00 C ATOM 1148 NH1 ARG A 78 6.913 0.118 -8.386 1.00 0.00 N ATOM 1149 NH2 ARG A 78 5.006 -0.251 -9.605 1.00 0.00 N ATOM 0 H ARG A 78 4.060 -5.744 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 78 5.257 -3.053 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.213 -3.169 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.249 -4.063 -4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.949 -1.400 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.386 -2.232 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.942 -0.197 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.599 -1.627 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 78 3.989 -0.800 -7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.410 0.111 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.384 0.442 -9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.030 -0.543 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.488 0.076 -10.443 1.00 0.00 H new ATOM 1163 N LEU A 79 6.436 -5.642 -5.868 1.00 0.00 N ATOM 1164 CA LEU A 79 7.640 -6.420 -5.693 1.00 0.00 C ATOM 1165 C LEU A 79 7.697 -7.502 -6.770 1.00 0.00 C ATOM 1166 O LEU A 79 6.874 -7.516 -7.686 1.00 0.00 O ATOM 1167 CB LEU A 79 7.684 -7.002 -4.268 1.00 0.00 C ATOM 1168 CG LEU A 79 6.478 -6.945 -3.328 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.816 -7.823 -2.115 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.294 -5.561 -2.744 1.00 0.00 C ATOM 0 H LEU A 79 5.634 -6.022 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 79 8.523 -5.791 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.955 -8.053 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.507 -6.507 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 79 5.594 -7.249 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.981 -7.813 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.000 -8.845 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.708 -7.435 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.428 -5.558 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.184 -5.283 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.137 -4.844 -3.550 1.00 0.00 H new ATOM 1182 N GLU A 80 8.646 -8.432 -6.627 1.00 0.00 N ATOM 1183 CA GLU A 80 8.665 -9.708 -7.330 1.00 0.00 C ATOM 1184 C GLU A 80 7.255 -10.328 -7.317 1.00 0.00 C ATOM 1185 O GLU A 80 6.712 -10.648 -8.374 1.00 0.00 O ATOM 1186 CB GLU A 80 9.754 -10.631 -6.737 1.00 0.00 C ATOM 1187 CG GLU A 80 9.484 -11.061 -5.280 1.00 0.00 C ATOM 1188 CD GLU A 80 10.587 -11.862 -4.588 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.698 -12.072 -5.127 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.309 -12.314 -3.453 1.00 0.00 O ATOM 0 H GLU A 80 9.442 -8.310 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 80 8.933 -9.560 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.839 -11.522 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.715 -10.118 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.292 -10.165 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.570 -11.655 -5.264 1.00 0.00 H new ATOM 1197 N GLY A 81 6.615 -10.393 -6.142 1.00 0.00 N ATOM 1198 CA GLY A 81 5.238 -10.788 -5.955 1.00 0.00 C ATOM 1199 C GLY A 81 5.008 -11.718 -4.779 1.00 0.00 C ATOM 1200 O GLY A 81 4.873 -12.925 -4.964 1.00 0.00 O ATOM 0 H GLY A 81 7.077 -10.158 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.631 -9.893 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.886 -11.277 -6.864 1.00 0.00 H new ATOM 1204 N ARG A 82 4.912 -11.161 -3.567 1.00 0.00 N ATOM 1205 CA ARG A 82 4.380 -11.913 -2.413 1.00 0.00 C ATOM 1206 C ARG A 82 3.518 -11.036 -1.511 1.00 0.00 C ATOM 1207 O ARG A 82 2.426 -11.444 -1.119 1.00 0.00 O ATOM 1208 CB ARG A 82 5.485 -12.612 -1.591 1.00 0.00 C ATOM 1209 CG ARG A 82 5.927 -13.991 -2.112 1.00 0.00 C ATOM 1210 CD ARG A 82 7.191 -13.959 -2.977 1.00 0.00 C ATOM 1211 NE ARG A 82 7.498 -15.301 -3.497 1.00 0.00 N ATOM 1212 CZ ARG A 82 8.707 -15.750 -3.852 1.00 0.00 C ATOM 1213 NH1 ARG A 82 9.783 -14.979 -3.786 1.00 0.00 N ATOM 1214 NH2 ARG A 82 8.850 -16.991 -4.277 1.00 0.00 N ATOM 0 H ARG A 82 5.191 -10.203 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 82 3.749 -12.694 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.357 -11.959 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.133 -12.726 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.099 -14.650 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.113 -14.425 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.053 -13.265 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.031 -13.590 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 82 6.716 -15.949 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.701 -14.017 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.693 -15.348 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.039 -17.607 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.771 -17.334 -4.548 1.00 0.00 H new ATOM 1228 N PHE A 83 4.002 -9.837 -1.196 1.00 0.00 N ATOM 1229 CA PHE A 83 3.377 -8.884 -0.288 1.00 0.00 C ATOM 1230 C PHE A 83 3.357 -7.520 -0.960 1.00 0.00 C ATOM 1231 O PHE A 83 3.787 -7.398 -2.100 1.00 0.00 O ATOM 1232 CB PHE A 83 4.192 -8.803 1.011 1.00 0.00 C ATOM 1233 CG PHE A 83 4.320 -10.117 1.736 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.367 -10.996 1.407 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.356 -10.489 2.688 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.425 -12.262 2.006 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.448 -11.741 3.311 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.488 -12.618 2.980 1.00 0.00 C ATOM 0 H PHE A 83 4.879 -9.490 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 83 2.361 -9.201 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.189 -8.429 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.725 -8.077 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.123 -10.697 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.550 -9.815 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.194 -12.962 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.714 -12.030 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.566 -13.573 3.479 1.00 0.00 H new ATOM 1248 N THR A 84 2.874 -6.486 -0.288 1.00 0.00 N ATOM 1249 CA THR A 84 3.069 -5.084 -0.611 1.00 0.00 C ATOM 1250 C THR A 84 2.751 -4.294 0.654 1.00 0.00 C ATOM 1251 O THR A 84 1.736 -4.562 1.301 1.00 0.00 O ATOM 1252 CB THR A 84 2.232 -4.722 -1.850 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.951 -5.078 -3.000 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.955 -3.232 -1.975 1.00 0.00 C ATOM 0 H THR A 84 2.302 -6.613 0.547 1.00 0.00 H new ATOM 0 HA THR A 84 4.092 -4.839 -0.896 1.00 0.00 H new ATOM 0 HB THR A 84 1.286 -5.253 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.417 -5.926 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.361 -3.046 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.407 -2.889 -1.098 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.899 -2.691 -2.048 1.00 0.00 H new ATOM 1262 N VAL A 85 3.617 -3.350 1.031 1.00 0.00 N ATOM 1263 CA VAL A 85 3.303 -2.407 2.096 1.00 0.00 C ATOM 1264 C VAL A 85 2.637 -1.184 1.471 1.00 0.00 C ATOM 1265 O VAL A 85 3.001 -0.761 0.376 1.00 0.00 O ATOM 1266 CB VAL A 85 4.552 -2.084 2.939 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.738 -1.503 2.177 1.00 0.00 C ATOM 1268 CG2 VAL A 85 4.208 -1.147 4.101 1.00 0.00 C ATOM 0 H VAL A 85 4.538 -3.222 0.613 1.00 0.00 H new ATOM 0 HA VAL A 85 2.598 -2.841 2.805 1.00 0.00 H new ATOM 0 HB VAL A 85 4.873 -3.062 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.559 -1.315 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.062 -2.211 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.442 -0.567 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.109 -0.937 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.803 -0.214 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.468 -1.622 4.745 1.00 0.00 H new ATOM 1278 N ILE A 86 1.693 -0.586 2.185 1.00 0.00 N ATOM 1279 CA ILE A 86 0.878 0.537 1.766 1.00 0.00 C ATOM 1280 C ILE A 86 1.032 1.606 2.822 1.00 0.00 C ATOM 1281 O ILE A 86 0.373 1.536 3.860 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.582 0.067 1.673 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.803 -0.859 0.457 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.544 1.262 1.563 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.755 -0.108 -0.885 1.00 0.00 C ATOM 0 H ILE A 86 1.465 -0.894 3.130 1.00 0.00 H new ATOM 0 HA ILE A 86 1.178 0.928 0.794 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.790 -0.487 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.042 -1.639 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.769 -1.355 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.570 0.899 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.438 1.896 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.307 1.839 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.917 -0.812 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.534 0.655 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.220 0.366 -1.002 1.00 0.00 H new ATOM 1297 N ARG A 87 1.894 2.592 2.591 1.00 0.00 N ATOM 1298 CA ARG A 87 2.176 3.591 3.605 1.00 0.00 C ATOM 1299 C ARG A 87 1.299 4.787 3.281 1.00 0.00 C ATOM 1300 O ARG A 87 1.708 5.706 2.577 1.00 0.00 O ATOM 1301 CB ARG A 87 3.679 3.911 3.662 1.00 0.00 C ATOM 1302 CG ARG A 87 4.599 2.680 3.749 1.00 0.00 C ATOM 1303 CD ARG A 87 6.051 3.130 3.912 1.00 0.00 C ATOM 1304 NE ARG A 87 7.018 2.036 3.701 1.00 0.00 N ATOM 1305 CZ ARG A 87 8.349 2.202 3.698 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.884 3.384 3.982 1.00 0.00 N ATOM 1307 NH2 ARG A 87 9.159 1.200 3.399 1.00 0.00 N ATOM 0 H ARG A 87 2.404 2.717 1.716 1.00 0.00 H new ATOM 0 HA ARG A 87 1.940 3.238 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.948 4.486 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.868 4.550 4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.306 2.054 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.495 2.073 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.259 3.933 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.188 3.542 4.912 1.00 0.00 H new ATOM 0 HE ARG A 87 6.652 1.096 3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.281 4.176 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.897 3.500 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.774 0.285 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.169 1.343 3.401 1.00 0.00 H new ATOM 1321 N ARG A 88 0.044 4.720 3.711 1.00 0.00 N ATOM 1322 CA ARG A 88 -1.011 5.669 3.431 1.00 0.00 C ATOM 1323 C ARG A 88 -0.851 6.894 4.350 1.00 0.00 C ATOM 1324 O ARG A 88 -1.779 7.217 5.077 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.346 4.892 3.555 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.648 5.698 3.375 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.631 6.598 2.139 1.00 0.00 C ATOM 1328 NE ARG A 88 -2.945 7.889 2.342 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.487 8.958 2.941 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.713 8.913 3.448 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -2.800 10.089 3.038 1.00 0.00 N ATOM 0 H ARG A 88 -0.277 3.952 4.300 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.978 6.087 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.340 4.090 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.373 4.421 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.488 5.008 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.814 6.311 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.145 6.065 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.658 6.790 1.828 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.987 7.974 2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.260 8.054 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.108 9.737 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.856 10.147 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.216 10.901 3.495 1.00 0.00 H new ATOM 1345 N GLY A 89 0.272 7.614 4.246 1.00 0.00 N ATOM 1346 CA GLY A 89 0.629 8.902 4.842 1.00 0.00 C ATOM 1347 C GLY A 89 -0.054 9.258 6.160 1.00 0.00 C ATOM 1348 O GLY A 89 0.547 9.103 7.226 1.00 0.00 O ATOM 0 H GLY A 89 1.041 7.264 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.707 8.916 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.404 9.686 4.119 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.279 9.787 6.082 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.141 10.114 7.215 1.00 0.00 C ATOM 1354 C LYS A 90 -2.267 8.906 8.140 1.00 0.00 C ATOM 1355 O LYS A 90 -2.020 9.017 9.342 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.502 10.566 6.655 1.00 0.00 C ATOM 1357 CG LYS A 90 -4.600 10.762 7.713 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.903 11.212 7.036 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.057 11.345 8.040 1.00 0.00 C ATOM 1360 NZ LYS A 90 -7.623 10.041 8.448 1.00 0.00 N ATOM 0 H LYS A 90 -1.713 10.008 5.186 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.719 10.922 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.364 11.503 6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.844 9.828 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.765 9.831 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.284 11.506 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.742 12.169 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.176 10.494 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.702 11.873 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.846 11.955 7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.397 10.195 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.989 9.544 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.881 9.465 8.895 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.685 7.772 7.590 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.697 6.470 8.230 1.00 0.00 C ATOM 1376 C LYS A 91 -1.311 5.830 8.108 1.00 0.00 C ATOM 1377 O LYS A 91 -0.390 6.393 7.517 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.793 5.614 7.573 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.409 4.692 8.630 1.00 0.00 C ATOM 1380 CD LYS A 91 -4.757 3.309 8.113 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.049 3.199 7.301 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.253 3.402 8.129 1.00 0.00 N ATOM 0 H LYS A 91 -3.043 7.739 6.635 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.922 6.556 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.561 6.254 7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.372 5.024 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.712 4.593 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.311 5.159 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.932 2.957 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.828 2.632 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.035 3.937 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.097 2.217 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.103 3.251 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.249 2.726 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.257 4.372 8.503 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.147 4.655 8.705 1.00 0.00 N ATOM 1397 CA LYS A 92 0.109 3.939 8.752 1.00 0.00 C ATOM 1398 C LYS A 92 0.340 3.110 7.478 1.00 0.00 C ATOM 1399 O LYS A 92 0.005 3.506 6.350 1.00 0.00 O ATOM 1400 CB LYS A 92 0.136 3.124 10.061 1.00 0.00 C ATOM 1401 CG LYS A 92 1.557 2.872 10.597 1.00 0.00 C ATOM 1402 CD LYS A 92 1.793 3.633 11.902 1.00 0.00 C ATOM 1403 CE LYS A 92 1.804 5.160 11.756 1.00 0.00 C ATOM 1404 NZ LYS A 92 3.042 5.671 11.130 1.00 0.00 N ATOM 0 H LYS A 92 -1.907 4.167 9.180 1.00 0.00 H new ATOM 0 HA LYS A 92 0.953 4.629 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.442 3.651 10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.356 2.166 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.703 1.805 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.291 3.182 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.017 3.355 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.745 3.315 12.326 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.947 5.469 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.686 5.614 12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.992 6.707 11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.861 5.403 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.145 5.262 10.179 1.00 0.00 H new ATOM 1418 N TYR A 93 0.992 1.969 7.692 1.00 0.00 N ATOM 1419 CA TYR A 93 1.646 1.136 6.708 1.00 0.00 C ATOM 1420 C TYR A 93 0.983 -0.238 6.682 1.00 0.00 C ATOM 1421 O TYR A 93 1.426 -1.160 7.356 1.00 0.00 O ATOM 1422 CB TYR A 93 3.147 1.040 6.994 1.00 0.00 C ATOM 1423 CG TYR A 93 3.901 2.294 7.450 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.531 3.596 7.045 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.004 2.152 8.313 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.244 4.722 7.490 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.753 3.263 8.725 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.366 4.558 8.329 1.00 0.00 C ATOM 1429 OH TYR A 93 6.047 5.645 8.775 1.00 0.00 O ATOM 0 H TYR A 93 1.078 1.581 8.631 1.00 0.00 H new ATOM 0 HA TYR A 93 1.537 1.585 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.287 0.276 7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.632 0.677 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.688 3.728 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.278 1.168 8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.933 5.712 7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.626 3.126 9.346 1.00 0.00 H new ATOM 0 HH TYR A 93 6.791 5.355 9.343 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.129 -0.376 5.973 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.854 -1.635 5.967 1.00 0.00 C ATOM 1441 C TYR A 94 -0.154 -2.600 5.031 1.00 0.00 C ATOM 1442 O TYR A 94 0.708 -2.215 4.237 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.286 -1.376 5.524 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.230 -0.870 6.604 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.777 -0.048 7.656 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.582 -1.259 6.569 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.645 0.332 8.686 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -5.476 -0.823 7.557 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.998 -0.067 8.647 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.838 0.279 9.655 1.00 0.00 O ATOM 0 H TYR A 94 -0.544 0.360 5.401 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.875 -2.076 6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.270 -0.649 4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.693 -2.301 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.752 0.291 7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.934 -1.899 5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.280 0.929 9.509 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.526 -1.065 7.484 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.733 -0.075 9.471 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.571 -3.852 5.120 1.00 0.00 N ATOM 1461 CA LEU A 95 0.064 -4.969 4.454 1.00 0.00 C ATOM 1462 C LEU A 95 -0.958 -5.648 3.555 1.00 0.00 C ATOM 1463 O LEU A 95 -2.081 -5.947 3.954 1.00 0.00 O ATOM 1464 CB LEU A 95 0.681 -5.899 5.505 1.00 0.00 C ATOM 1465 CG LEU A 95 1.326 -7.184 4.958 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.396 -6.868 3.915 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.993 -7.960 6.100 1.00 0.00 C ATOM 0 H LEU A 95 -1.383 -4.123 5.674 1.00 0.00 H new ATOM 0 HA LEU A 95 0.883 -4.644 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.437 -5.342 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.095 -6.178 6.218 1.00 0.00 H new ATOM 0 HG LEU A 95 0.535 -7.776 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.832 -7.797 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.945 -6.326 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.175 -6.255 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.448 -8.869 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.762 -7.340 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.244 -8.224 6.847 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.563 -5.889 2.321 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.368 -6.513 1.287 1.00 0.00 C ATOM 1481 C ILE A 96 -0.621 -7.773 0.896 1.00 0.00 C ATOM 1482 O ILE A 96 0.591 -7.732 0.687 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.522 -5.549 0.090 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.148 -4.192 0.495 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.284 -6.206 -1.078 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.590 -4.262 1.008 1.00 0.00 C ATOM 0 H ILE A 96 0.372 -5.644 1.995 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.376 -6.750 1.628 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.514 -5.330 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.526 -3.740 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.119 -3.526 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.372 -5.496 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.741 -7.088 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.279 -6.499 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.934 -3.260 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.232 -4.679 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.631 -4.897 1.893 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.326 -8.892 0.796 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.809 -10.135 0.276 1.00 0.00 C ATOM 1500 C ARG A 97 -1.900 -10.868 -0.509 1.00 0.00 C ATOM 1501 O ARG A 97 -3.081 -10.497 -0.514 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.206 -10.945 1.447 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.886 -10.834 2.828 1.00 0.00 C ATOM 1504 CD ARG A 97 -0.108 -11.568 3.920 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.820 -11.560 5.210 1.00 0.00 N ATOM 1506 CZ ARG A 97 -0.475 -12.307 6.266 1.00 0.00 C ATOM 1507 NH1 ARG A 97 0.664 -12.984 6.288 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.251 -12.363 7.344 1.00 0.00 N ATOM 0 H ARG A 97 -2.302 -8.954 1.085 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.004 -9.968 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.203 -11.996 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.835 -10.643 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.983 -9.783 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.895 -11.242 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.067 -12.598 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.870 -11.102 4.043 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.628 -10.945 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.298 -12.942 5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.907 -13.547 7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.122 -11.833 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.976 -12.936 8.141 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.512 -11.943 -1.175 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.399 -12.946 -1.692 1.00 0.00 C ATOM 1524 C TYR A 98 -1.980 -14.296 -1.127 1.00 0.00 C ATOM 1525 O TYR A 98 -0.871 -14.445 -0.608 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.407 -12.931 -3.222 1.00 0.00 C ATOM 1527 CG TYR A 98 -1.173 -12.489 -3.981 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.104 -12.950 -3.616 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.330 -11.704 -5.140 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.214 -12.675 -4.428 1.00 0.00 C ATOM 1531 CE2 TYR A 98 -0.223 -11.426 -5.955 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.047 -11.924 -5.606 1.00 0.00 C ATOM 1533 OH TYR A 98 2.122 -11.592 -6.356 1.00 0.00 O ATOM 0 H TYR A 98 -0.531 -12.139 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.424 -12.740 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.648 -13.941 -3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.229 -12.287 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.231 -13.518 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.303 -11.316 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.193 -13.038 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.344 -10.831 -6.848 1.00 0.00 H new ATOM 0 HH TYR A 98 2.383 -12.357 -6.910 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.894 -15.255 -1.229 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.727 -16.657 -0.905 1.00 0.00 C ATOM 1545 C ALA A 99 -1.734 -17.306 -1.877 1.00 0.00 C ATOM 1546 O ALA A 99 -2.107 -18.049 -2.786 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.101 -17.338 -0.909 1.00 0.00 C ATOM 0 H ALA A 99 -3.836 -15.053 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.305 -16.774 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.984 -18.394 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.744 -16.864 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.552 -17.241 -1.896 1.00 0.00 H new