USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 93 THR OG1 : rot -90:sc= -2.74! USER MOD Set 1.2: A 103 ASN : amide:sc= -1.29 K(o=-4,f=-8.5!) USER MOD Set 2.1: A 87 THR OG1 : rot -126:sc= -0.642! USER MOD Set 2.2: A 109 HIS : no HD1:sc= -1.82 K(o=-2.5,f=-7.9!) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= 0.503 USER MOD Set 3.2: A 74 TYR OH : rot 38:sc= 0.547 USER MOD Set 4.1: A 16 THR OG1 : rot 180:sc= 0.161 USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.0748 K(o=-0.088,f=-1.8) USER MOD Set 4.3: A 20 LYS NZ :NH3+ -157:sc= -0.174 (180deg=-0.684) USER MOD Single : A 10 ASN : amide:sc= -6.11! K(o=-6.1!,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 22 THR OG1 : rot 58:sc= 0.267 USER MOD Single : A 25 HIS : no HE2:sc= -4.2! C(o=-4.2!,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0346 (180deg=-0.291) USER MOD Single : A 29 ASN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 34 TYR OH : rot 98:sc= 0.0304 USER MOD Single : A 35 MET CE :methyl 145:sc= -2.97! (180deg=-4.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -175:sc= -3.38! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= 1.04 (180deg=0.188) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -8.11! C(o=-8.1!,f=-13!) USER MOD Single : A 92 TYR OH : rot -89:sc= 0.421 USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.373) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00771 USER MOD Single : A 111 ASN : amide:sc= -0.73 X(o=-0.73,f=-0.4) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= -0.0413 (180deg=-0.262) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.004 -7.987 12.965 1.00 0.00 N ATOM 180 CA ASN A 10 0.363 -7.309 11.732 1.00 0.00 C ATOM 181 C ASN A 10 1.829 -6.900 11.705 1.00 0.00 C ATOM 182 O ASN A 10 2.682 -7.640 11.214 1.00 0.00 O ATOM 183 CB ASN A 10 -0.515 -6.075 11.559 1.00 0.00 C ATOM 184 CG ASN A 10 -1.109 -5.588 12.867 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.141 -6.086 13.316 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.463 -4.599 13.478 1.00 0.00 N ATOM 0 HA ASN A 10 0.203 -8.008 10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.075 -5.274 11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.321 -6.303 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.820 -4.223 14.356 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.389 -4.217 13.068 1.00 0.00 H new ATOM 193 N ASP A 11 2.092 -5.710 12.230 1.00 0.00 N ATOM 194 CA ASP A 11 3.429 -5.136 12.283 1.00 0.00 C ATOM 195 C ASP A 11 4.522 -6.194 12.268 1.00 0.00 C ATOM 196 O ASP A 11 4.757 -6.887 13.258 1.00 0.00 O ATOM 197 CB ASP A 11 3.569 -4.256 13.521 1.00 0.00 C ATOM 198 CG ASP A 11 2.849 -4.830 14.726 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.327 -5.843 15.279 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.805 -4.267 15.117 1.00 0.00 O ATOM 0 H ASP A 11 1.374 -5.110 12.636 1.00 0.00 H new ATOM 0 HA ASP A 11 3.556 -4.533 11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.626 -4.133 13.758 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.173 -3.264 13.304 1.00 0.00 H new ATOM 205 N LYS A 12 5.174 -6.310 11.122 1.00 0.00 N ATOM 206 CA LYS A 12 6.261 -7.258 10.938 1.00 0.00 C ATOM 207 C LYS A 12 7.605 -6.536 11.030 1.00 0.00 C ATOM 208 O LYS A 12 8.065 -5.923 10.065 1.00 0.00 O ATOM 209 CB LYS A 12 6.117 -7.967 9.590 1.00 0.00 C ATOM 210 CG LYS A 12 7.372 -8.694 9.147 1.00 0.00 C ATOM 211 CD LYS A 12 7.125 -9.521 7.896 1.00 0.00 C ATOM 212 CE LYS A 12 8.419 -10.098 7.348 1.00 0.00 C ATOM 213 NZ LYS A 12 8.189 -10.931 6.136 1.00 0.00 N ATOM 0 H LYS A 12 4.965 -5.751 10.295 1.00 0.00 H new ATOM 0 HA LYS A 12 6.218 -8.009 11.727 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.296 -8.682 9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.845 -7.234 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.164 -7.970 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.720 -9.343 9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.432 -10.331 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.651 -8.900 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.104 -9.286 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.901 -10.702 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.097 -11.305 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.556 -11.721 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.753 -10.349 5.393 1.00 0.00 H new ATOM 227 N TRP A 13 8.220 -6.611 12.203 1.00 0.00 N ATOM 228 CA TRP A 13 9.490 -5.957 12.466 1.00 0.00 C ATOM 229 C TRP A 13 10.665 -6.826 12.029 1.00 0.00 C ATOM 230 O TRP A 13 11.026 -7.784 12.711 1.00 0.00 O ATOM 231 CB TRP A 13 9.566 -5.630 13.961 1.00 0.00 C ATOM 232 CG TRP A 13 8.237 -5.193 14.521 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.171 -5.996 14.815 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.827 -3.855 14.842 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.120 -5.241 15.272 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.495 -3.926 15.303 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.450 -2.605 14.781 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.776 -2.795 15.693 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.737 -1.486 15.174 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.412 -1.587 15.622 1.00 0.00 C ATOM 0 H TRP A 13 7.849 -7.129 12.999 1.00 0.00 H new ATOM 0 HA TRP A 13 9.552 -5.036 11.886 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.916 -6.508 14.505 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.302 -4.842 14.121 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.158 -7.070 14.704 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.206 -5.602 15.545 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.469 -2.514 14.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.755 -2.871 16.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.210 -0.516 15.135 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.883 -0.693 15.917 1.00 0.00 H new ATOM 251 N VAL A 14 11.263 -6.480 10.883 1.00 0.00 N ATOM 252 CA VAL A 14 12.395 -7.245 10.351 1.00 0.00 C ATOM 253 C VAL A 14 13.354 -6.358 9.564 1.00 0.00 C ATOM 254 O VAL A 14 13.276 -5.134 9.631 1.00 0.00 O ATOM 255 CB VAL A 14 11.921 -8.394 9.437 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.101 -9.408 10.219 1.00 0.00 C ATOM 257 CG2 VAL A 14 11.127 -7.847 8.261 1.00 0.00 C ATOM 0 H VAL A 14 10.985 -5.683 10.311 1.00 0.00 H new ATOM 0 HA VAL A 14 12.916 -7.660 11.214 1.00 0.00 H new ATOM 0 HB VAL A 14 12.802 -8.905 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.779 -10.208 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.709 -9.827 11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.226 -8.917 10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.801 -8.672 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.255 -7.307 8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.755 -7.170 7.681 1.00 0.00 H new ATOM 267 N ASP A 15 14.265 -6.994 8.825 1.00 0.00 N ATOM 268 CA ASP A 15 15.248 -6.278 8.014 1.00 0.00 C ATOM 269 C ASP A 15 14.920 -6.411 6.528 1.00 0.00 C ATOM 270 O ASP A 15 13.845 -6.893 6.167 1.00 0.00 O ATOM 271 CB ASP A 15 16.650 -6.828 8.281 1.00 0.00 C ATOM 272 CG ASP A 15 17.701 -5.739 8.355 1.00 0.00 C ATOM 273 OD1 ASP A 15 18.169 -5.291 7.287 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.062 -5.338 9.480 1.00 0.00 O ATOM 0 H ASP A 15 14.341 -8.010 8.772 1.00 0.00 H new ATOM 0 HA ASP A 15 15.215 -5.224 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.645 -7.386 9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.916 -7.531 7.492 1.00 0.00 H new ATOM 279 N THR A 16 15.860 -5.998 5.672 1.00 0.00 N ATOM 280 CA THR A 16 15.667 -6.068 4.220 1.00 0.00 C ATOM 281 C THR A 16 16.822 -5.408 3.466 1.00 0.00 C ATOM 282 O THR A 16 17.825 -5.015 4.062 1.00 0.00 O ATOM 283 CB THR A 16 14.348 -5.387 3.794 1.00 0.00 C ATOM 284 OG1 THR A 16 13.895 -5.931 2.550 1.00 0.00 O ATOM 285 CG2 THR A 16 14.524 -3.882 3.654 1.00 0.00 C ATOM 0 H THR A 16 16.760 -5.613 5.958 1.00 0.00 H new ATOM 0 HA THR A 16 15.629 -7.127 3.965 1.00 0.00 H new ATOM 0 HB THR A 16 13.607 -5.577 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.057 -5.495 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.578 -3.431 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.838 -3.462 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.282 -3.673 2.899 1.00 0.00 H new ATOM 293 N HIS A 17 16.666 -5.294 2.147 1.00 0.00 N ATOM 294 CA HIS A 17 17.675 -4.669 1.297 1.00 0.00 C ATOM 295 C HIS A 17 17.075 -3.472 0.564 1.00 0.00 C ATOM 296 O HIS A 17 15.916 -3.126 0.782 1.00 0.00 O ATOM 297 CB HIS A 17 18.235 -5.677 0.293 1.00 0.00 C ATOM 298 CG HIS A 17 18.975 -6.812 0.932 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.371 -7.999 1.290 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.279 -6.936 1.276 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.271 -8.803 1.827 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.436 -8.182 1.830 1.00 0.00 N ATOM 0 H HIS A 17 15.845 -5.629 1.643 1.00 0.00 H new ATOM 0 HA HIS A 17 18.493 -4.323 1.929 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.415 -6.078 -0.302 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.904 -5.159 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 17 21.051 -6.193 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.085 -9.799 2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.311 -8.566 2.186 1.00 0.00 H new ATOM 311 N VAL A 18 17.860 -2.847 -0.309 1.00 0.00 N ATOM 312 CA VAL A 18 17.390 -1.683 -1.055 1.00 0.00 C ATOM 313 C VAL A 18 16.480 -2.077 -2.216 1.00 0.00 C ATOM 314 O VAL A 18 16.744 -3.040 -2.936 1.00 0.00 O ATOM 315 CB VAL A 18 18.566 -0.845 -1.596 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.434 -1.676 -2.528 1.00 0.00 C ATOM 317 CG2 VAL A 18 18.053 0.403 -2.302 1.00 0.00 C ATOM 0 H VAL A 18 18.819 -3.125 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 18 16.816 -1.082 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 18 19.181 -0.531 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.258 -1.066 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.833 -2.533 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.834 -2.025 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.897 0.982 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.413 0.113 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.481 1.009 -1.600 1.00 0.00 H new ATOM 327 N GLY A 19 15.402 -1.315 -2.378 1.00 0.00 N ATOM 328 CA GLY A 19 14.449 -1.560 -3.446 1.00 0.00 C ATOM 329 C GLY A 19 13.824 -2.937 -3.396 1.00 0.00 C ATOM 330 O GLY A 19 13.264 -3.395 -4.390 1.00 0.00 O ATOM 0 H GLY A 19 15.170 -0.522 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.660 -0.810 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.950 -1.432 -4.405 1.00 0.00 H new ATOM 334 N LYS A 20 13.928 -3.609 -2.251 1.00 0.00 N ATOM 335 CA LYS A 20 13.340 -4.931 -2.096 1.00 0.00 C ATOM 336 C LYS A 20 11.843 -4.872 -2.371 1.00 0.00 C ATOM 337 O LYS A 20 11.038 -4.746 -1.449 1.00 0.00 O ATOM 338 CB LYS A 20 13.590 -5.459 -0.686 1.00 0.00 C ATOM 339 CG LYS A 20 13.768 -6.960 -0.625 1.00 0.00 C ATOM 340 CD LYS A 20 15.236 -7.311 -0.693 1.00 0.00 C ATOM 341 CE LYS A 20 15.493 -8.745 -0.263 1.00 0.00 C ATOM 342 NZ LYS A 20 15.054 -8.993 1.138 1.00 0.00 N ATOM 0 H LYS A 20 14.412 -3.260 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 20 13.807 -5.607 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.480 -4.979 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.754 -5.174 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.335 -7.348 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.235 -7.431 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.598 -7.166 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.802 -6.633 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.967 -9.425 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.556 -8.966 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.571 -9.808 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.251 -8.152 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.033 -9.192 1.152 1.00 0.00 H new ATOM 356 N THR A 21 11.479 -4.955 -3.646 1.00 0.00 N ATOM 357 CA THR A 21 10.080 -4.895 -4.045 1.00 0.00 C ATOM 358 C THR A 21 9.269 -5.983 -3.358 1.00 0.00 C ATOM 359 O THR A 21 9.203 -7.119 -3.832 1.00 0.00 O ATOM 360 CB THR A 21 9.916 -5.027 -5.569 1.00 0.00 C ATOM 361 OG1 THR A 21 10.949 -4.297 -6.240 1.00 0.00 O ATOM 362 CG2 THR A 21 8.556 -4.506 -6.006 1.00 0.00 C ATOM 0 H THR A 21 12.134 -5.064 -4.420 1.00 0.00 H new ATOM 0 HA THR A 21 9.708 -3.918 -3.738 1.00 0.00 H new ATOM 0 HB THR A 21 9.991 -6.082 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.837 -4.388 -7.209 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.458 -4.607 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.771 -5.081 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.463 -3.456 -5.730 1.00 0.00 H new ATOM 370 N THR A 22 8.660 -5.629 -2.235 1.00 0.00 N ATOM 371 CA THR A 22 7.853 -6.569 -1.473 1.00 0.00 C ATOM 372 C THR A 22 6.383 -6.442 -1.834 1.00 0.00 C ATOM 373 O THR A 22 5.722 -5.476 -1.454 1.00 0.00 O ATOM 374 CB THR A 22 8.028 -6.350 0.043 1.00 0.00 C ATOM 375 OG1 THR A 22 9.393 -6.573 0.415 1.00 0.00 O ATOM 376 CG2 THR A 22 7.123 -7.278 0.842 1.00 0.00 C ATOM 0 H THR A 22 8.710 -4.694 -1.831 1.00 0.00 H new ATOM 0 HA THR A 22 8.197 -7.571 -1.728 1.00 0.00 H new ATOM 0 HB THR A 22 7.750 -5.321 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.974 -5.974 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.269 -7.100 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.082 -7.085 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.369 -8.314 0.610 1.00 0.00 H new ATOM 384 N GLU A 23 5.888 -7.421 -2.586 1.00 0.00 N ATOM 385 CA GLU A 23 4.502 -7.445 -3.002 1.00 0.00 C ATOM 386 C GLU A 23 3.631 -8.090 -1.941 1.00 0.00 C ATOM 387 O GLU A 23 3.879 -9.219 -1.517 1.00 0.00 O ATOM 388 CB GLU A 23 4.362 -8.216 -4.307 1.00 0.00 C ATOM 389 CG GLU A 23 2.983 -8.089 -4.928 1.00 0.00 C ATOM 390 CD GLU A 23 2.910 -8.685 -6.319 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.170 -7.951 -7.295 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.591 -9.888 -6.434 1.00 0.00 O ATOM 0 H GLU A 23 6.438 -8.213 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 23 4.174 -6.416 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.108 -7.857 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.576 -9.269 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.253 -8.584 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.705 -7.036 -4.974 1.00 0.00 H new ATOM 399 N ILE A 24 2.612 -7.365 -1.516 1.00 0.00 N ATOM 400 CA ILE A 24 1.700 -7.867 -0.510 1.00 0.00 C ATOM 401 C ILE A 24 0.262 -7.782 -0.988 1.00 0.00 C ATOM 402 O ILE A 24 -0.342 -6.711 -0.979 1.00 0.00 O ATOM 403 CB ILE A 24 1.832 -7.087 0.802 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.272 -7.159 1.309 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.859 -7.632 1.840 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.492 -6.464 2.634 1.00 0.00 C ATOM 0 H ILE A 24 2.397 -6.427 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 24 1.965 -8.910 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 24 1.583 -6.041 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.560 -8.206 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.932 -6.715 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.963 -7.069 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.161 -7.534 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.078 -8.683 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.538 -6.560 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.237 -5.409 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.860 -6.922 3.395 1.00 0.00 H new ATOM 418 N HIS A 25 -0.264 -8.915 -1.424 1.00 0.00 N ATOM 419 CA HIS A 25 -1.637 -8.999 -1.891 1.00 0.00 C ATOM 420 C HIS A 25 -2.565 -9.255 -0.713 1.00 0.00 C ATOM 421 O HIS A 25 -2.562 -10.342 -0.134 1.00 0.00 O ATOM 422 CB HIS A 25 -1.777 -10.122 -2.917 1.00 0.00 C ATOM 423 CG HIS A 25 -1.262 -9.769 -4.279 1.00 0.00 C ATOM 424 ND1 HIS A 25 -1.762 -10.325 -5.438 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.284 -8.917 -4.664 1.00 0.00 C ATOM 426 CE1 HIS A 25 -1.112 -9.830 -6.476 1.00 0.00 C ATOM 427 NE2 HIS A 25 -0.210 -8.974 -6.034 1.00 0.00 N ATOM 0 H HIS A 25 0.246 -9.798 -1.464 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.909 -8.055 -2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.243 -11.001 -2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.828 -10.398 -2.997 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -2.515 -11.011 -5.486 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.325 -8.306 -4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.289 -10.083 -7.511 1.00 0.00 H new ATOM 436 N LEU A 26 -3.359 -8.254 -0.362 1.00 0.00 N ATOM 437 CA LEU A 26 -4.278 -8.377 0.763 1.00 0.00 C ATOM 438 C LEU A 26 -5.689 -8.697 0.286 1.00 0.00 C ATOM 439 O LEU A 26 -5.953 -8.759 -0.914 1.00 0.00 O ATOM 440 CB LEU A 26 -4.294 -7.084 1.574 1.00 0.00 C ATOM 441 CG LEU A 26 -2.920 -6.560 2.003 1.00 0.00 C ATOM 442 CD1 LEU A 26 -3.023 -5.112 2.457 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.335 -7.422 3.113 1.00 0.00 C ATOM 0 H LEU A 26 -3.387 -7.351 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.930 -9.197 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.791 -6.312 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.898 -7.243 2.467 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.252 -6.610 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.039 -4.754 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.396 -4.499 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.708 -5.043 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.359 -7.031 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.002 -7.406 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.225 -8.447 2.758 1.00 0.00 H new ATOM 455 N LYS A 27 -6.591 -8.901 1.239 1.00 0.00 N ATOM 456 CA LYS A 27 -7.982 -9.200 0.927 1.00 0.00 C ATOM 457 C LYS A 27 -8.893 -8.136 1.523 1.00 0.00 C ATOM 458 O LYS A 27 -8.453 -7.303 2.315 1.00 0.00 O ATOM 459 CB LYS A 27 -8.370 -10.578 1.462 1.00 0.00 C ATOM 460 CG LYS A 27 -7.415 -11.684 1.044 1.00 0.00 C ATOM 461 CD LYS A 27 -7.825 -13.025 1.631 1.00 0.00 C ATOM 462 CE LYS A 27 -6.874 -14.132 1.208 1.00 0.00 C ATOM 463 NZ LYS A 27 -5.478 -13.866 1.651 1.00 0.00 N ATOM 0 H LYS A 27 -6.382 -8.864 2.237 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.098 -9.203 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.412 -10.537 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.373 -10.825 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.391 -11.754 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.405 -11.436 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.845 -12.957 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.837 -13.270 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.213 -15.080 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.897 -14.235 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.913 -14.734 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.063 -13.118 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.482 -13.560 2.645 1.00 0.00 H new ATOM 477 N GLY A 28 -10.163 -8.168 1.143 1.00 0.00 N ATOM 478 CA GLY A 28 -11.107 -7.191 1.652 1.00 0.00 C ATOM 479 C GLY A 28 -12.368 -7.104 0.815 1.00 0.00 C ATOM 480 O GLY A 28 -12.696 -8.033 0.076 1.00 0.00 O ATOM 0 H GLY A 28 -10.556 -8.850 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.373 -7.449 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.629 -6.212 1.684 1.00 0.00 H new ATOM 484 N ASN A 29 -13.075 -5.982 0.930 1.00 0.00 N ATOM 485 CA ASN A 29 -14.306 -5.770 0.177 1.00 0.00 C ATOM 486 C ASN A 29 -14.800 -4.331 0.337 1.00 0.00 C ATOM 487 O ASN A 29 -15.374 -3.980 1.369 1.00 0.00 O ATOM 488 CB ASN A 29 -15.392 -6.744 0.642 1.00 0.00 C ATOM 489 CG ASN A 29 -16.596 -6.749 -0.281 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.665 -7.538 -1.223 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.549 -5.865 -0.016 1.00 0.00 N ATOM 0 H ASN A 29 -12.815 -5.206 1.538 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.092 -5.951 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.975 -7.750 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.710 -6.475 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.381 -5.820 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.450 -5.230 0.776 1.00 0.00 H new ATOM 547 N TYR A 34 -13.843 -1.633 5.158 1.00 0.00 N ATOM 548 CA TYR A 34 -12.857 -0.561 5.084 1.00 0.00 C ATOM 549 C TYR A 34 -11.883 -0.795 3.932 1.00 0.00 C ATOM 550 O TYR A 34 -12.033 -1.740 3.157 1.00 0.00 O ATOM 551 CB TYR A 34 -12.083 -0.455 6.407 1.00 0.00 C ATOM 552 CG TYR A 34 -12.941 -0.080 7.601 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.993 -0.893 8.009 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.696 1.087 8.322 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.776 -0.555 9.097 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.478 1.428 9.410 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.515 0.605 9.792 1.00 0.00 C ATOM 558 OH TYR A 34 -15.293 0.944 10.875 1.00 0.00 O ATOM 0 HA TYR A 34 -13.388 0.374 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.597 -1.410 6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.293 0.287 6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.202 -1.803 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.884 1.734 8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.589 -1.198 9.401 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.277 2.336 9.959 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.840 0.673 11.701 1.00 0.00 H new ATOM 568 N MET A 35 -10.887 0.078 3.827 1.00 0.00 N ATOM 569 CA MET A 35 -9.876 -0.014 2.793 1.00 0.00 C ATOM 570 C MET A 35 -8.540 -0.422 3.387 1.00 0.00 C ATOM 571 O MET A 35 -8.235 -0.103 4.535 1.00 0.00 O ATOM 572 CB MET A 35 -9.714 1.335 2.091 1.00 0.00 C ATOM 573 CG MET A 35 -8.337 1.534 1.480 1.00 0.00 C ATOM 574 SD MET A 35 -8.122 3.155 0.721 1.00 0.00 S ATOM 575 CE MET A 35 -9.362 3.100 -0.571 1.00 0.00 C ATOM 0 H MET A 35 -10.762 0.868 4.460 1.00 0.00 H new ATOM 0 HA MET A 35 -10.197 -0.768 2.074 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.467 1.422 1.308 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.905 2.134 2.807 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.581 1.399 2.253 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.165 0.763 0.729 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.794 4.092 -0.703 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.901 2.778 -1.505 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.147 2.397 -0.292 1.00 0.00 H new ATOM 585 N TRP A 36 -7.746 -1.116 2.594 1.00 0.00 N ATOM 586 CA TRP A 36 -6.425 -1.540 3.019 1.00 0.00 C ATOM 587 C TRP A 36 -5.365 -0.739 2.276 1.00 0.00 C ATOM 588 O TRP A 36 -4.838 -1.183 1.256 1.00 0.00 O ATOM 589 CB TRP A 36 -6.220 -3.027 2.761 1.00 0.00 C ATOM 590 CG TRP A 36 -6.298 -3.868 3.995 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.193 -4.866 4.251 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.448 -3.785 5.143 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.956 -5.403 5.493 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.890 -4.757 6.059 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.356 -2.981 5.488 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.280 -4.948 7.294 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.753 -3.173 6.714 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.216 -4.149 7.604 1.00 0.00 C ATOM 0 H TRP A 36 -7.995 -1.400 1.646 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.335 -1.362 4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.972 -3.370 2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.247 -3.175 2.292 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.973 -5.187 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.488 -6.160 5.923 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.992 -2.225 4.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.634 -5.700 7.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.909 -2.559 6.992 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.722 -4.273 8.556 1.00 0.00 H new ATOM 609 N THR A 37 -5.065 0.448 2.786 1.00 0.00 N ATOM 610 CA THR A 37 -4.079 1.315 2.155 1.00 0.00 C ATOM 611 C THR A 37 -2.993 1.719 3.157 1.00 0.00 C ATOM 612 O THR A 37 -2.919 1.164 4.252 1.00 0.00 O ATOM 613 CB THR A 37 -4.747 2.570 1.561 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.794 3.331 0.811 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.339 3.431 2.661 1.00 0.00 C ATOM 0 H THR A 37 -5.488 0.831 3.631 1.00 0.00 H new ATOM 0 HA THR A 37 -3.614 0.756 1.343 1.00 0.00 H new ATOM 0 HB THR A 37 -5.549 2.248 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.231 4.125 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.806 4.312 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.088 2.858 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.549 3.742 3.345 1.00 0.00 H new ATOM 623 N ARG A 38 -2.159 2.688 2.787 1.00 0.00 N ATOM 624 CA ARG A 38 -1.072 3.136 3.656 1.00 0.00 C ATOM 625 C ARG A 38 -1.559 4.164 4.679 1.00 0.00 C ATOM 626 O ARG A 38 -2.291 5.095 4.341 1.00 0.00 O ATOM 627 CB ARG A 38 0.056 3.718 2.801 1.00 0.00 C ATOM 628 CG ARG A 38 1.384 3.015 2.958 1.00 0.00 C ATOM 629 CD ARG A 38 2.116 2.959 1.629 1.00 0.00 C ATOM 630 NE ARG A 38 1.360 2.217 0.624 1.00 0.00 N ATOM 631 CZ ARG A 38 0.970 0.953 0.776 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.304 0.279 1.865 1.00 0.00 N ATOM 633 NH2 ARG A 38 0.261 0.356 -0.170 1.00 0.00 N ATOM 0 H ARG A 38 -2.214 3.177 1.894 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.698 2.277 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.241 3.678 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.183 4.770 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.994 3.538 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.225 2.005 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.298 3.972 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.090 2.491 1.770 1.00 0.00 H new ATOM 0 HE ARG A 38 1.117 2.694 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.862 0.728 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.003 -0.689 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.012 0.865 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.036 -0.612 -0.050 1.00 0.00 H new ATOM 647 N VAL A 39 -1.146 3.979 5.934 1.00 0.00 N ATOM 648 CA VAL A 39 -1.530 4.875 7.022 1.00 0.00 C ATOM 649 C VAL A 39 -1.228 6.330 6.677 1.00 0.00 C ATOM 650 O VAL A 39 -0.165 6.644 6.143 1.00 0.00 O ATOM 651 CB VAL A 39 -0.794 4.518 8.331 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.312 5.365 9.483 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.932 3.036 8.648 1.00 0.00 C ATOM 0 H VAL A 39 -0.541 3.210 6.222 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.604 4.750 7.163 1.00 0.00 H new ATOM 0 HB VAL A 39 0.265 4.735 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.781 5.099 10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.148 6.420 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.379 5.184 9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.404 2.812 9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.987 2.785 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.504 2.449 7.836 1.00 0.00 H new ATOM 663 N GLY A 40 -2.173 7.215 6.987 1.00 0.00 N ATOM 664 CA GLY A 40 -1.992 8.627 6.703 1.00 0.00 C ATOM 665 C GLY A 40 -2.126 8.944 5.226 1.00 0.00 C ATOM 666 O GLY A 40 -2.431 10.075 4.851 1.00 0.00 O ATOM 0 H GLY A 40 -3.061 6.978 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.727 9.204 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.008 8.941 7.051 1.00 0.00 H new ATOM 670 N PHE A 41 -1.898 7.937 4.391 1.00 0.00 N ATOM 671 CA PHE A 41 -1.990 8.099 2.946 1.00 0.00 C ATOM 672 C PHE A 41 -3.322 7.567 2.443 1.00 0.00 C ATOM 673 O PHE A 41 -3.479 7.248 1.265 1.00 0.00 O ATOM 674 CB PHE A 41 -0.831 7.369 2.268 1.00 0.00 C ATOM 675 CG PHE A 41 0.518 7.765 2.805 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.718 9.019 3.368 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.585 6.884 2.752 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.955 9.382 3.864 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.825 7.244 3.245 1.00 0.00 C ATOM 680 CZ PHE A 41 3.011 8.494 3.802 1.00 0.00 C ATOM 0 H PHE A 41 -1.647 6.995 4.692 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.928 9.159 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.964 6.295 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.861 7.570 1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.103 9.718 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.447 5.904 2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.096 10.360 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.649 6.547 3.195 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.979 8.776 4.188 1.00 0.00 H new ATOM 690 N VAL A 42 -4.277 7.483 3.357 1.00 0.00 N ATOM 691 CA VAL A 42 -5.606 6.989 3.040 1.00 0.00 C ATOM 692 C VAL A 42 -6.419 8.042 2.296 1.00 0.00 C ATOM 693 O VAL A 42 -6.869 9.026 2.885 1.00 0.00 O ATOM 694 CB VAL A 42 -6.352 6.569 4.318 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.647 5.857 3.966 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.454 5.698 5.183 1.00 0.00 C ATOM 0 H VAL A 42 -4.153 7.754 4.333 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.487 6.118 2.395 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.610 7.460 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.163 5.566 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.284 6.526 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.425 4.967 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.991 5.406 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.167 4.806 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.560 6.258 5.458 1.00 0.00 H new ATOM 706 N GLY A 43 -6.600 7.827 0.997 1.00 0.00 N ATOM 707 CA GLY A 43 -7.351 8.765 0.183 1.00 0.00 C ATOM 708 C GLY A 43 -6.461 9.516 -0.786 1.00 0.00 C ATOM 709 O GLY A 43 -6.934 10.061 -1.783 1.00 0.00 O ATOM 0 H GLY A 43 -6.239 7.018 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.120 8.228 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.864 9.477 0.830 1.00 0.00 H new ATOM 763 N LEU A 47 0.774 6.748 -2.333 1.00 0.00 N ATOM 764 CA LEU A 47 1.118 6.263 -1.011 1.00 0.00 C ATOM 765 C LEU A 47 2.596 6.515 -0.740 1.00 0.00 C ATOM 766 O LEU A 47 2.959 7.211 0.208 1.00 0.00 O ATOM 767 CB LEU A 47 0.793 4.775 -0.935 1.00 0.00 C ATOM 768 CG LEU A 47 -0.583 4.403 -1.505 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.865 2.921 -1.326 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.682 5.230 -0.854 1.00 0.00 C ATOM 0 HA LEU A 47 0.541 6.791 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.560 4.219 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.841 4.457 0.106 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.570 4.624 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.846 2.685 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.103 2.340 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.848 2.673 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.647 4.948 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.687 5.047 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.500 6.288 -1.041 1.00 0.00 H new ATOM 782 N SER A 48 3.437 5.939 -1.587 1.00 0.00 N ATOM 783 CA SER A 48 4.882 6.104 -1.491 1.00 0.00 C ATOM 784 C SER A 48 5.270 7.580 -1.386 1.00 0.00 C ATOM 785 O SER A 48 4.421 8.465 -1.488 1.00 0.00 O ATOM 786 CB SER A 48 5.542 5.495 -2.722 1.00 0.00 C ATOM 787 OG SER A 48 5.268 6.262 -3.882 1.00 0.00 O ATOM 0 H SER A 48 3.138 5.344 -2.360 1.00 0.00 H new ATOM 0 HA SER A 48 5.224 5.597 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.619 5.435 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.183 4.476 -2.864 1.00 0.00 H new ATOM 0 HG SER A 48 5.704 5.850 -4.657 1.00 0.00 H new ATOM 793 N ASP A 49 6.564 7.840 -1.196 1.00 0.00 N ATOM 794 CA ASP A 49 7.058 9.210 -1.083 1.00 0.00 C ATOM 795 C ASP A 49 8.528 9.305 -1.478 1.00 0.00 C ATOM 796 O ASP A 49 8.860 9.405 -2.660 1.00 0.00 O ATOM 797 CB ASP A 49 6.872 9.737 0.343 1.00 0.00 C ATOM 798 CG ASP A 49 5.425 10.051 0.664 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.988 11.187 0.386 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.728 9.161 1.195 1.00 0.00 O ATOM 0 H ASP A 49 7.285 7.123 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 49 6.476 9.824 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.245 8.997 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.473 10.637 0.475 1.00 0.00 H new ATOM 805 N GLU A 50 9.405 9.274 -0.479 1.00 0.00 N ATOM 806 CA GLU A 50 10.838 9.368 -0.708 1.00 0.00 C ATOM 807 C GLU A 50 11.573 8.216 -0.033 1.00 0.00 C ATOM 808 O GLU A 50 12.596 7.742 -0.527 1.00 0.00 O ATOM 809 CB GLU A 50 11.346 10.703 -0.170 1.00 0.00 C ATOM 810 CG GLU A 50 11.229 10.833 1.340 1.00 0.00 C ATOM 811 CD GLU A 50 11.707 12.179 1.849 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.881 13.111 1.929 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.909 12.300 2.168 1.00 0.00 O ATOM 0 H GLU A 50 9.143 9.184 0.503 1.00 0.00 H new ATOM 0 HA GLU A 50 11.030 9.307 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.390 10.828 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.787 11.512 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.190 10.686 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.810 10.042 1.815 1.00 0.00 H new ATOM 820 N ILE A 51 11.041 7.773 1.099 1.00 0.00 N ATOM 821 CA ILE A 51 11.633 6.677 1.852 1.00 0.00 C ATOM 822 C ILE A 51 11.391 5.347 1.160 1.00 0.00 C ATOM 823 O ILE A 51 12.293 4.777 0.550 1.00 0.00 O ATOM 824 CB ILE A 51 11.047 6.613 3.273 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.116 7.987 3.933 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.779 5.574 4.109 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.527 8.450 4.230 1.00 0.00 C ATOM 0 H ILE A 51 10.195 8.160 1.517 1.00 0.00 H new ATOM 0 HA ILE A 51 12.706 6.863 1.908 1.00 0.00 H new ATOM 0 HB ILE A 51 10.001 6.314 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.633 8.717 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.548 7.962 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.349 5.544 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.678 4.594 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.835 5.838 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.496 9.434 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.008 7.742 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.094 8.508 3.301 1.00 0.00 H new ATOM 839 N LEU A 52 10.166 4.852 1.274 1.00 0.00 N ATOM 840 CA LEU A 52 9.789 3.589 0.652 1.00 0.00 C ATOM 841 C LEU A 52 8.964 3.817 -0.609 1.00 0.00 C ATOM 842 O LEU A 52 7.866 4.367 -0.542 1.00 0.00 O ATOM 843 CB LEU A 52 8.984 2.733 1.631 1.00 0.00 C ATOM 844 CG LEU A 52 9.814 1.859 2.570 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.958 1.346 3.716 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.429 0.695 1.811 1.00 0.00 C ATOM 0 H LEU A 52 9.415 5.307 1.793 1.00 0.00 H new ATOM 0 HA LEU A 52 10.708 3.070 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.357 3.391 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.314 2.090 1.060 1.00 0.00 H new ATOM 0 HG LEU A 52 10.618 2.468 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.566 0.725 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.559 2.190 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.134 0.754 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.016 0.084 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.637 0.088 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.075 1.077 1.020 1.00 0.00 H new ATOM 858 N GLU A 53 9.506 3.418 -1.758 1.00 0.00 N ATOM 859 CA GLU A 53 8.788 3.542 -3.019 1.00 0.00 C ATOM 860 C GLU A 53 7.620 2.565 -3.042 1.00 0.00 C ATOM 861 O GLU A 53 7.647 1.563 -3.757 1.00 0.00 O ATOM 862 CB GLU A 53 9.725 3.258 -4.191 1.00 0.00 C ATOM 863 CG GLU A 53 10.161 4.500 -4.937 1.00 0.00 C ATOM 864 CD GLU A 53 9.302 4.786 -6.153 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.291 5.505 -6.011 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.641 4.289 -7.249 1.00 0.00 O ATOM 0 H GLU A 53 10.436 3.008 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 53 8.409 4.560 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.609 2.739 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.227 2.583 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.124 5.355 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.199 4.385 -5.250 1.00 0.00 H new ATOM 873 N VAL A 54 6.599 2.858 -2.246 1.00 0.00 N ATOM 874 CA VAL A 54 5.438 1.992 -2.159 1.00 0.00 C ATOM 875 C VAL A 54 4.546 2.098 -3.384 1.00 0.00 C ATOM 876 O VAL A 54 3.612 2.899 -3.419 1.00 0.00 O ATOM 877 CB VAL A 54 4.582 2.279 -0.916 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.780 1.043 -0.568 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.438 2.727 0.258 1.00 0.00 C ATOM 0 H VAL A 54 6.555 3.688 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 54 5.845 0.983 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 54 3.899 3.099 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.171 1.241 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.133 0.782 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.458 0.215 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.800 2.921 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.154 1.944 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.974 3.638 -0.009 1.00 0.00 H new ATOM 889 N VAL A 55 4.847 1.294 -4.388 1.00 0.00 N ATOM 890 CA VAL A 55 4.051 1.267 -5.599 1.00 0.00 C ATOM 891 C VAL A 55 2.920 0.269 -5.439 1.00 0.00 C ATOM 892 O VAL A 55 3.042 -0.897 -5.814 1.00 0.00 O ATOM 893 CB VAL A 55 4.884 0.876 -6.823 1.00 0.00 C ATOM 894 CG1 VAL A 55 4.068 1.060 -8.090 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.172 1.685 -6.877 1.00 0.00 C ATOM 0 H VAL A 55 5.638 0.651 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 55 3.661 2.272 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 55 5.156 -0.176 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.670 0.779 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.180 0.429 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.767 2.104 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.749 1.392 -7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.933 2.747 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.758 1.497 -5.977 1.00 0.00 H new ATOM 905 N CYS A 56 1.821 0.733 -4.877 1.00 0.00 N ATOM 906 CA CYS A 56 0.673 -0.126 -4.638 1.00 0.00 C ATOM 907 C CYS A 56 -0.493 0.230 -5.541 1.00 0.00 C ATOM 908 O CYS A 56 -0.626 1.368 -5.993 1.00 0.00 O ATOM 909 CB CYS A 56 0.238 -0.030 -3.178 1.00 0.00 C ATOM 910 SG CYS A 56 -1.307 -0.894 -2.809 1.00 0.00 S ATOM 0 H CYS A 56 1.697 1.700 -4.577 1.00 0.00 H new ATOM 0 HA CYS A 56 0.976 -1.148 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.029 -0.436 -2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.126 1.021 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.646 -0.669 -1.574 1.00 0.00 H new ATOM 916 N LYS A 57 -1.335 -0.760 -5.797 1.00 0.00 N ATOM 917 CA LYS A 57 -2.506 -0.573 -6.632 1.00 0.00 C ATOM 918 C LYS A 57 -3.710 -1.264 -6.013 1.00 0.00 C ATOM 919 O LYS A 57 -3.716 -2.484 -5.824 1.00 0.00 O ATOM 920 CB LYS A 57 -2.262 -1.122 -8.036 1.00 0.00 C ATOM 921 CG LYS A 57 -0.964 -0.641 -8.664 1.00 0.00 C ATOM 922 CD LYS A 57 -0.761 -1.231 -10.049 1.00 0.00 C ATOM 923 CE LYS A 57 0.533 -0.742 -10.680 1.00 0.00 C ATOM 924 NZ LYS A 57 0.749 -1.326 -12.032 1.00 0.00 N ATOM 0 H LYS A 57 -1.225 -1.707 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.704 0.496 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.253 -2.211 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.094 -0.835 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.972 0.447 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.126 -0.916 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.746 -2.319 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.603 -0.961 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.512 0.345 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.372 -1.002 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.642 -0.967 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.795 -2.362 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.038 -1.057 -12.656 1.00 0.00 H new ATOM 938 N TYR A 58 -4.718 -0.474 -5.683 1.00 0.00 N ATOM 939 CA TYR A 58 -5.939 -1.000 -5.095 1.00 0.00 C ATOM 940 C TYR A 58 -6.823 -1.570 -6.202 1.00 0.00 C ATOM 941 O TYR A 58 -7.580 -0.842 -6.843 1.00 0.00 O ATOM 942 CB TYR A 58 -6.671 0.107 -4.314 1.00 0.00 C ATOM 943 CG TYR A 58 -7.839 -0.363 -3.469 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.724 -1.334 -3.929 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.064 0.184 -2.207 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.796 -1.747 -3.166 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.138 -0.228 -1.438 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.001 -1.190 -1.923 1.00 0.00 C ATOM 949 OH TYR A 58 -11.070 -1.599 -1.159 1.00 0.00 O ATOM 0 H TYR A 58 -4.715 0.538 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.697 -1.798 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.952 0.608 -3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.033 0.851 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.568 -1.773 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.392 0.938 -1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.471 -2.503 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.301 0.202 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.071 -1.110 -0.310 1.00 0.00 H new ATOM 959 N THR A 59 -6.708 -2.876 -6.426 1.00 0.00 N ATOM 960 CA THR A 59 -7.481 -3.553 -7.462 1.00 0.00 C ATOM 961 C THR A 59 -8.694 -4.264 -6.874 1.00 0.00 C ATOM 962 O THR A 59 -8.563 -5.329 -6.275 1.00 0.00 O ATOM 963 CB THR A 59 -6.621 -4.592 -8.204 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.387 -3.998 -8.624 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.358 -5.145 -9.413 1.00 0.00 C ATOM 0 H THR A 59 -6.084 -3.489 -5.901 1.00 0.00 H new ATOM 0 HA THR A 59 -7.813 -2.784 -8.159 1.00 0.00 H new ATOM 0 HB THR A 59 -6.415 -5.413 -7.518 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.845 -4.666 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.729 -5.877 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.282 -5.624 -9.088 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.593 -4.331 -10.099 1.00 0.00 H new ATOM 973 N PRO A 60 -9.897 -3.696 -7.057 1.00 0.00 N ATOM 974 CA PRO A 60 -11.129 -4.260 -6.544 1.00 0.00 C ATOM 975 C PRO A 60 -11.864 -5.073 -7.602 1.00 0.00 C ATOM 976 O PRO A 60 -13.090 -5.147 -7.600 1.00 0.00 O ATOM 977 CB PRO A 60 -11.907 -2.997 -6.192 1.00 0.00 C ATOM 978 CG PRO A 60 -11.490 -1.992 -7.222 1.00 0.00 C ATOM 979 CD PRO A 60 -10.172 -2.456 -7.791 1.00 0.00 C ATOM 0 HA PRO A 60 -10.985 -4.953 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.982 -3.173 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.669 -2.654 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.241 -1.912 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.389 -1.003 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.238 -2.632 -8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.386 -1.716 -7.637 1.00 0.00 H new ATOM 1135 N ILE A 73 -7.461 -6.676 -4.107 1.00 0.00 N ATOM 1136 CA ILE A 73 -6.259 -7.474 -3.928 1.00 0.00 C ATOM 1137 C ILE A 73 -5.198 -6.735 -3.140 1.00 0.00 C ATOM 1138 O ILE A 73 -4.341 -7.346 -2.506 1.00 0.00 O ATOM 1139 CB ILE A 73 -5.679 -7.912 -5.287 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.760 -9.423 -5.390 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -4.241 -7.433 -5.473 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.856 -10.139 -4.403 1.00 0.00 C ATOM 0 HA ILE A 73 -6.552 -8.357 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.267 -7.454 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.790 -9.737 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.494 -9.726 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.870 -7.763 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.211 -6.345 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.614 -7.849 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.961 -11.217 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.820 -9.852 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.136 -9.863 -3.386 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.269 -5.424 -3.188 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.311 -4.579 -2.495 1.00 0.00 C ATOM 1156 C TYR A 74 -2.891 -5.057 -2.766 1.00 0.00 C ATOM 1157 O TYR A 74 -2.277 -5.692 -1.913 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.576 -4.600 -0.992 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.030 -4.417 -0.625 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.576 -3.149 -0.508 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.855 -5.510 -0.387 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.901 -2.974 -0.165 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.182 -5.341 -0.044 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.699 -4.071 0.065 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.021 -3.896 0.407 1.00 0.00 O ATOM 0 H TYR A 74 -5.985 -4.912 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.423 -3.560 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.225 -5.548 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.990 -3.812 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.955 -2.284 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.451 -6.508 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.311 -1.979 -0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.810 -6.201 0.138 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.393 -3.144 -0.099 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.377 -4.768 -3.958 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.024 -5.181 -4.314 1.00 0.00 C ATOM 1177 C VAL A 75 -0.029 -4.080 -3.970 1.00 0.00 C ATOM 1178 O VAL A 75 0.102 -3.092 -4.691 1.00 0.00 O ATOM 1179 CB VAL A 75 -0.901 -5.555 -5.808 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.400 -4.432 -6.698 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.537 -5.912 -6.155 1.00 0.00 C ATOM 0 H VAL A 75 -2.872 -4.254 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.796 -6.074 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.528 -6.429 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.301 -4.725 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.448 -4.230 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.810 -3.534 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.602 -6.172 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.183 -5.058 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.857 -6.761 -5.551 1.00 0.00 H new ATOM 1191 N VAL A 76 0.665 -4.257 -2.855 1.00 0.00 N ATOM 1192 CA VAL A 76 1.629 -3.266 -2.394 1.00 0.00 C ATOM 1193 C VAL A 76 3.068 -3.636 -2.743 1.00 0.00 C ATOM 1194 O VAL A 76 3.579 -4.650 -2.279 1.00 0.00 O ATOM 1195 CB VAL A 76 1.534 -3.083 -0.869 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.363 -1.892 -0.427 1.00 0.00 C ATOM 1197 CG2 VAL A 76 0.086 -2.934 -0.431 1.00 0.00 C ATOM 0 H VAL A 76 0.579 -5.076 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 76 1.376 -2.339 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 76 1.936 -3.975 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.285 -1.776 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.406 -2.053 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.994 -0.990 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.044 -2.806 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.353 -2.063 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.473 -3.826 -0.712 1.00 0.00 H new ATOM 1207 N LEU A 77 3.715 -2.804 -3.561 1.00 0.00 N ATOM 1208 CA LEU A 77 5.109 -3.025 -3.938 1.00 0.00 C ATOM 1209 C LEU A 77 5.996 -2.012 -3.238 1.00 0.00 C ATOM 1210 O LEU A 77 6.189 -0.904 -3.729 1.00 0.00 O ATOM 1211 CB LEU A 77 5.300 -2.909 -5.450 1.00 0.00 C ATOM 1212 CG LEU A 77 4.699 -4.053 -6.267 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.934 -3.828 -7.753 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.285 -5.387 -5.829 1.00 0.00 C ATOM 0 H LEU A 77 3.295 -1.972 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 77 5.385 -4.034 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.858 -1.971 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.367 -2.852 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 77 3.624 -4.075 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.500 -4.652 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.466 -2.892 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.005 -3.779 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.846 -6.190 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.365 -5.376 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.065 -5.552 -4.774 1.00 0.00 H new ATOM 1226 N VAL A 78 6.545 -2.396 -2.099 1.00 0.00 N ATOM 1227 CA VAL A 78 7.391 -1.486 -1.340 1.00 0.00 C ATOM 1228 C VAL A 78 8.853 -1.626 -1.741 1.00 0.00 C ATOM 1229 O VAL A 78 9.485 -2.651 -1.487 1.00 0.00 O ATOM 1230 CB VAL A 78 7.247 -1.702 0.177 1.00 0.00 C ATOM 1231 CG1 VAL A 78 7.103 -0.360 0.890 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.061 -2.603 0.485 1.00 0.00 C ATOM 0 H VAL A 78 6.424 -3.319 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 78 7.055 -0.477 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 78 8.148 -2.195 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.002 -0.527 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.986 0.250 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.218 0.156 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.979 -2.741 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.147 -2.143 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.205 -3.571 0.005 1.00 0.00 H new ATOM 1242 N LYS A 79 9.381 -0.582 -2.373 1.00 0.00 N ATOM 1243 CA LYS A 79 10.766 -0.570 -2.825 1.00 0.00 C ATOM 1244 C LYS A 79 11.589 0.460 -2.051 1.00 0.00 C ATOM 1245 O LYS A 79 11.614 1.634 -2.413 1.00 0.00 O ATOM 1246 CB LYS A 79 10.825 -0.262 -4.323 1.00 0.00 C ATOM 1247 CG LYS A 79 10.660 -1.491 -5.204 1.00 0.00 C ATOM 1248 CD LYS A 79 10.875 -1.159 -6.672 1.00 0.00 C ATOM 1249 CE LYS A 79 9.800 -0.223 -7.201 1.00 0.00 C ATOM 1250 NZ LYS A 79 10.002 0.098 -8.641 1.00 0.00 N ATOM 0 H LYS A 79 8.865 0.272 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 79 11.191 -1.556 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.044 0.458 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.780 0.213 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.370 -2.258 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.662 -1.907 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.854 -0.698 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.876 -2.079 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.821 -0.682 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.803 0.699 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.248 0.738 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.926 0.559 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.973 -0.779 -9.199 1.00 0.00 H new ATOM 1264 N PRO A 80 12.270 0.036 -0.970 1.00 0.00 N ATOM 1265 CA PRO A 80 13.090 0.932 -0.154 1.00 0.00 C ATOM 1266 C PRO A 80 14.011 1.810 -0.991 1.00 0.00 C ATOM 1267 O PRO A 80 15.039 1.355 -1.493 1.00 0.00 O ATOM 1268 CB PRO A 80 13.909 -0.009 0.740 1.00 0.00 C ATOM 1269 CG PRO A 80 13.600 -1.399 0.281 1.00 0.00 C ATOM 1270 CD PRO A 80 12.292 -1.336 -0.451 1.00 0.00 C ATOM 0 HA PRO A 80 12.469 1.629 0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.975 0.201 0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.643 0.122 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.389 -1.775 -0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.535 -2.080 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.243 -2.072 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.449 -1.530 0.212 1.00 0.00 H new ATOM 1278 N ARG A 81 13.629 3.072 -1.139 1.00 0.00 N ATOM 1279 CA ARG A 81 14.408 4.028 -1.907 1.00 0.00 C ATOM 1280 C ARG A 81 15.732 4.321 -1.211 1.00 0.00 C ATOM 1281 O ARG A 81 16.751 4.557 -1.862 1.00 0.00 O ATOM 1282 CB ARG A 81 13.618 5.322 -2.078 1.00 0.00 C ATOM 1283 CG ARG A 81 13.186 5.592 -3.507 1.00 0.00 C ATOM 1284 CD ARG A 81 12.216 6.757 -3.576 1.00 0.00 C ATOM 1285 NE ARG A 81 11.856 7.089 -4.952 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.280 8.232 -5.308 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.001 9.152 -4.394 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.984 8.459 -6.581 1.00 0.00 N ATOM 0 H ARG A 81 12.777 3.457 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 81 14.616 3.599 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.733 5.283 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.226 6.157 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.061 5.807 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.717 4.700 -3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.314 6.512 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.662 7.629 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 81 12.058 6.405 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.229 8.983 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.559 10.028 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.199 7.756 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.542 9.337 -6.853 1.00 0.00 H new ATOM 1302 N LYS A 82 15.703 4.303 0.116 1.00 0.00 N ATOM 1303 CA LYS A 82 16.891 4.568 0.916 1.00 0.00 C ATOM 1304 C LYS A 82 17.232 3.361 1.783 1.00 0.00 C ATOM 1305 O LYS A 82 16.582 2.319 1.692 1.00 0.00 O ATOM 1306 CB LYS A 82 16.666 5.800 1.795 1.00 0.00 C ATOM 1307 CG LYS A 82 16.081 6.985 1.042 1.00 0.00 C ATOM 1308 CD LYS A 82 15.902 8.191 1.947 1.00 0.00 C ATOM 1309 CE LYS A 82 15.254 9.351 1.207 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.089 10.545 2.082 1.00 0.00 N ATOM 0 H LYS A 82 14.865 4.106 0.663 1.00 0.00 H new ATOM 0 HA LYS A 82 17.728 4.759 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.998 5.535 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.615 6.096 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.736 7.247 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.119 6.705 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.288 7.916 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.871 8.502 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.863 9.616 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.280 9.041 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.163 10.982 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.147 10.255 3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.842 11.232 1.877 1.00 0.00 H new ATOM 1324 N ARG A 83 18.251 3.505 2.622 1.00 0.00 N ATOM 1325 CA ARG A 83 18.669 2.424 3.507 1.00 0.00 C ATOM 1326 C ARG A 83 18.752 2.905 4.951 1.00 0.00 C ATOM 1327 O ARG A 83 19.491 3.839 5.262 1.00 0.00 O ATOM 1328 CB ARG A 83 20.020 1.871 3.058 1.00 0.00 C ATOM 1329 CG ARG A 83 20.035 1.420 1.607 1.00 0.00 C ATOM 1330 CD ARG A 83 21.449 1.159 1.120 1.00 0.00 C ATOM 1331 NE ARG A 83 21.478 0.757 -0.283 1.00 0.00 N ATOM 1332 CZ ARG A 83 22.598 0.564 -0.973 1.00 0.00 C ATOM 1333 NH1 ARG A 83 23.778 0.736 -0.393 1.00 0.00 N ATOM 1334 NH2 ARG A 83 22.538 0.198 -2.247 1.00 0.00 N ATOM 0 H ARG A 83 18.803 4.359 2.708 1.00 0.00 H new ATOM 0 HA ARG A 83 17.924 1.630 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.783 2.636 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.290 1.029 3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.439 0.513 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.569 2.183 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.050 2.059 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 83 21.905 0.379 1.730 1.00 0.00 H new ATOM 0 HE ARG A 83 20.588 0.616 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.829 1.017 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.635 0.587 -0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 83 21.633 0.065 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.397 0.050 -2.776 1.00 0.00 H new ATOM 1348 N GLY A 84 17.991 2.260 5.829 1.00 0.00 N ATOM 1349 CA GLY A 84 17.990 2.638 7.230 1.00 0.00 C ATOM 1350 C GLY A 84 16.699 2.267 7.934 1.00 0.00 C ATOM 1351 O GLY A 84 16.448 1.093 8.205 1.00 0.00 O ATOM 0 H GLY A 84 17.375 1.482 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.826 2.153 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.148 3.713 7.312 1.00 0.00 H new ATOM 1355 N HIS A 85 15.878 3.271 8.231 1.00 0.00 N ATOM 1356 CA HIS A 85 14.607 3.046 8.912 1.00 0.00 C ATOM 1357 C HIS A 85 13.434 3.186 7.946 1.00 0.00 C ATOM 1358 O HIS A 85 13.003 4.297 7.633 1.00 0.00 O ATOM 1359 CB HIS A 85 14.447 4.027 10.074 1.00 0.00 C ATOM 1360 CG HIS A 85 15.539 3.930 11.092 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.602 4.808 11.141 1.00 0.00 N ATOM 1362 CD2 HIS A 85 15.731 3.054 12.106 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.400 4.475 12.140 1.00 0.00 C ATOM 1364 NE2 HIS A 85 16.893 3.414 12.742 1.00 0.00 N ATOM 0 H HIS A 85 16.071 4.248 8.011 1.00 0.00 H new ATOM 0 HA HIS A 85 14.610 2.028 9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.418 5.043 9.680 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.489 3.847 10.562 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.089 2.225 12.366 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.312 4.984 12.417 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.299 2.939 13.548 1.00 0.00 H new ATOM 1373 N HIS A 86 12.925 2.051 7.476 1.00 0.00 N ATOM 1374 CA HIS A 86 11.799 2.039 6.548 1.00 0.00 C ATOM 1375 C HIS A 86 10.704 1.103 7.052 1.00 0.00 C ATOM 1376 O HIS A 86 10.989 0.118 7.732 1.00 0.00 O ATOM 1377 CB HIS A 86 12.260 1.590 5.159 1.00 0.00 C ATOM 1378 CG HIS A 86 13.397 2.391 4.603 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.526 2.708 5.328 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.576 2.936 3.376 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.347 3.415 4.573 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.795 3.566 3.385 1.00 0.00 N ATOM 0 H HIS A 86 13.276 1.126 7.723 1.00 0.00 H new ATOM 0 HA HIS A 86 11.399 3.051 6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.557 0.542 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.417 1.650 4.471 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.700 2.439 6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.888 2.884 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.308 3.804 4.877 1.00 0.00 H new ATOM 1391 N THR A 87 9.452 1.410 6.717 1.00 0.00 N ATOM 1392 CA THR A 87 8.329 0.582 7.147 1.00 0.00 C ATOM 1393 C THR A 87 7.105 0.775 6.257 1.00 0.00 C ATOM 1394 O THR A 87 6.865 1.865 5.738 1.00 0.00 O ATOM 1395 CB THR A 87 7.930 0.887 8.600 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.049 0.687 9.470 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.776 -0.003 9.034 1.00 0.00 C ATOM 0 H THR A 87 9.192 2.220 6.154 1.00 0.00 H new ATOM 0 HA THR A 87 8.668 -0.451 7.069 1.00 0.00 H new ATOM 0 HB THR A 87 7.612 1.928 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.798 0.071 10.190 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.507 0.227 10.065 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.917 0.174 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.076 -1.048 8.962 1.00 0.00 H new ATOM 1405 N LEU A 88 6.329 -0.295 6.097 1.00 0.00 N ATOM 1406 CA LEU A 88 5.122 -0.255 5.282 1.00 0.00 C ATOM 1407 C LEU A 88 3.893 -0.063 6.154 1.00 0.00 C ATOM 1408 O LEU A 88 3.237 -1.032 6.536 1.00 0.00 O ATOM 1409 CB LEU A 88 4.967 -1.543 4.483 1.00 0.00 C ATOM 1410 CG LEU A 88 3.803 -1.550 3.492 1.00 0.00 C ATOM 1411 CD1 LEU A 88 4.050 -0.540 2.387 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.601 -2.941 2.914 1.00 0.00 C ATOM 0 H LEU A 88 6.518 -1.202 6.524 1.00 0.00 H new ATOM 0 HA LEU A 88 5.215 0.586 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.892 -1.728 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.837 -2.372 5.179 1.00 0.00 H new ATOM 0 HG LEU A 88 2.893 -1.268 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.214 -0.554 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.145 0.456 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.969 -0.795 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.768 -2.925 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.507 -3.255 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.382 -3.642 3.720 1.00 0.00 H new ATOM 1424 N GLU A 89 3.592 1.183 6.472 1.00 0.00 N ATOM 1425 CA GLU A 89 2.441 1.493 7.299 1.00 0.00 C ATOM 1426 C GLU A 89 1.136 1.228 6.564 1.00 0.00 C ATOM 1427 O GLU A 89 0.703 2.034 5.749 1.00 0.00 O ATOM 1428 CB GLU A 89 2.499 2.952 7.746 1.00 0.00 C ATOM 1429 CG GLU A 89 3.614 3.226 8.733 1.00 0.00 C ATOM 1430 CD GLU A 89 3.682 4.681 9.153 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.385 5.462 8.478 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.031 5.041 10.157 1.00 0.00 O ATOM 0 H GLU A 89 4.129 1.996 6.170 1.00 0.00 H new ATOM 0 HA GLU A 89 2.472 0.841 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.631 3.589 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.546 3.226 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.472 2.604 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.566 2.936 8.288 1.00 0.00 H new ATOM 1439 N LEU A 90 0.528 0.077 6.838 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.751 -0.269 6.230 1.00 0.00 C ATOM 1441 C LEU A 90 -1.840 -0.244 7.287 1.00 0.00 C ATOM 1442 O LEU A 90 -1.576 -0.484 8.467 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.708 -1.640 5.553 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.113 -1.648 4.145 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.010 -3.073 3.627 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.967 -0.809 3.208 1.00 0.00 C ATOM 0 H LEU A 90 0.899 -0.628 7.474 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.967 0.470 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.130 -2.319 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.722 -2.036 5.505 1.00 0.00 H new ATOM 0 HG LEU A 90 0.885 -1.212 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.435 -3.060 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.659 -3.646 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.976 -3.536 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.532 -0.823 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.976 -1.219 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.006 0.218 3.572 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.062 0.038 6.866 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.172 0.118 7.795 1.00 0.00 C ATOM 1460 C VAL A 91 -5.507 -0.164 7.104 1.00 0.00 C ATOM 1461 O VAL A 91 -5.694 0.162 5.927 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.222 1.517 8.438 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.210 2.594 7.358 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.437 1.662 9.343 1.00 0.00 C ATOM 0 H VAL A 91 -3.308 0.214 5.892 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.014 -0.641 8.561 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.335 1.642 9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.246 3.578 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.299 2.506 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.077 2.469 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.446 2.659 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.345 1.515 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.391 0.916 10.136 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.427 -0.778 7.847 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.756 -1.088 7.330 1.00 0.00 C ATOM 1476 C TYR A 92 -8.728 0.016 7.736 1.00 0.00 C ATOM 1477 O TYR A 92 -9.511 -0.143 8.672 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.231 -2.441 7.866 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.449 -2.992 7.159 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.503 -3.052 5.772 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.544 -3.459 7.877 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.611 -3.558 5.122 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.656 -3.969 7.234 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.684 -4.015 5.856 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.789 -4.522 5.211 1.00 0.00 O ATOM 0 H TYR A 92 -6.274 -1.071 8.812 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.715 -1.146 6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.417 -3.160 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.455 -2.341 8.928 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.664 -2.697 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.525 -3.423 8.956 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.637 -3.595 4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.498 -4.329 7.807 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.416 -3.795 5.015 1.00 0.00 H new ATOM 1495 N THR A 93 -8.666 1.136 7.021 1.00 0.00 N ATOM 1496 CA THR A 93 -9.500 2.293 7.329 1.00 0.00 C ATOM 1497 C THR A 93 -10.444 2.668 6.193 1.00 0.00 C ATOM 1498 O THR A 93 -10.209 2.322 5.041 1.00 0.00 O ATOM 1499 CB THR A 93 -8.621 3.512 7.611 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.438 4.665 7.836 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.687 3.763 6.439 1.00 0.00 C ATOM 0 H THR A 93 -8.045 1.267 6.222 1.00 0.00 H new ATOM 0 HA THR A 93 -10.094 2.011 8.199 1.00 0.00 H new ATOM 0 HB THR A 93 -8.027 3.318 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.601 5.122 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.065 4.633 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.051 2.891 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.274 3.945 5.539 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.497 3.410 6.536 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.475 3.867 5.555 1.00 0.00 C ATOM 1511 C ARG A 94 -12.183 5.309 5.135 1.00 0.00 C ATOM 1512 O ARG A 94 -12.550 6.248 5.839 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.894 3.778 6.122 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.619 2.497 5.757 1.00 0.00 C ATOM 1515 CD ARG A 94 -16.043 2.495 6.285 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.874 3.494 5.618 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.199 3.412 5.530 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.841 2.382 6.065 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.882 4.364 4.908 1.00 0.00 N ATOM 0 H ARG A 94 -11.693 3.707 7.492 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.400 3.218 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.847 3.862 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.473 4.628 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.631 2.380 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.078 1.643 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.481 1.507 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.033 2.689 7.357 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.413 4.300 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.319 1.650 6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.857 2.322 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.391 5.158 4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.898 4.302 4.840 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.506 5.496 3.986 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.162 6.823 3.467 1.00 0.00 C ATOM 1535 C PRO A 95 -12.289 7.841 3.630 1.00 0.00 C ATOM 1536 O PRO A 95 -12.041 9.026 3.858 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.908 6.546 1.988 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.376 5.153 1.954 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.015 4.421 3.102 1.00 0.00 C ATOM 0 HA PRO A 95 -10.318 7.263 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.824 6.635 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.193 7.254 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.614 4.670 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.290 5.150 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.829 3.781 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.298 3.780 3.615 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.523 7.370 3.510 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.690 8.222 3.628 1.00 0.00 C ATOM 1549 C PHE A 96 -14.887 8.729 5.057 1.00 0.00 C ATOM 1550 O PHE A 96 -14.828 9.931 5.311 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.918 7.442 3.175 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.856 7.009 1.737 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.138 5.883 1.369 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.515 7.730 0.753 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.077 5.483 0.048 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.457 7.335 -0.570 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.738 6.210 -0.923 1.00 0.00 C ATOM 0 H PHE A 96 -13.739 6.390 3.329 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.542 9.097 2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.033 6.561 3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.805 8.058 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.619 5.311 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.080 8.610 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.513 4.603 -0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.974 7.906 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.693 5.899 -1.956 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.119 7.805 5.987 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.339 8.161 7.387 1.00 0.00 C ATOM 1569 C GLU A 97 -14.034 8.513 8.093 1.00 0.00 C ATOM 1570 O GLU A 97 -14.020 8.757 9.299 1.00 0.00 O ATOM 1571 CB GLU A 97 -16.022 7.010 8.125 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.393 6.656 7.570 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.104 5.607 8.401 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.788 4.409 8.242 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.977 5.982 9.212 1.00 0.00 O ATOM 0 H GLU A 97 -15.160 6.804 5.796 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.982 9.041 7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.382 6.129 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.123 7.274 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.006 7.556 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.285 6.293 6.548 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.939 8.539 7.342 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.653 8.855 7.933 1.00 0.00 C ATOM 1584 C GLY A 98 -10.980 7.635 8.513 1.00 0.00 C ATOM 1585 O GLY A 98 -11.372 6.505 8.221 1.00 0.00 O ATOM 0 H GLY A 98 -12.919 8.348 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.006 9.300 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.788 9.601 8.716 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.969 7.859 9.338 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.236 6.763 9.942 1.00 0.00 C ATOM 1591 C ILE A 99 -9.446 6.699 11.450 1.00 0.00 C ATOM 1592 O ILE A 99 -9.148 7.648 12.176 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.739 6.879 9.635 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.537 7.348 8.190 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.058 5.540 9.872 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.096 7.664 7.846 1.00 0.00 C ATOM 0 H ILE A 99 -9.640 8.788 9.603 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.625 5.842 9.507 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.289 7.616 10.300 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.902 6.576 7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.145 8.236 8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.994 5.629 9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.190 5.244 10.913 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.501 4.786 9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.033 7.989 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.732 8.458 8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.485 6.772 7.985 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.963 5.564 11.907 1.00 0.00 N ATOM 1609 CA LYS A 100 -10.222 5.343 13.323 1.00 0.00 C ATOM 1610 C LYS A 100 -9.212 4.350 13.901 1.00 0.00 C ATOM 1611 O LYS A 100 -8.552 3.627 13.155 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.649 4.819 13.509 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.632 5.377 12.495 1.00 0.00 C ATOM 1614 CD LYS A 100 -14.027 4.816 12.702 1.00 0.00 C ATOM 1615 CE LYS A 100 -15.064 5.923 12.744 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.050 6.746 11.503 1.00 0.00 N ATOM 0 H LYS A 100 -10.213 4.776 11.310 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.117 6.288 13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.641 3.731 13.436 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.992 5.069 14.513 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.661 6.464 12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.290 5.141 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.265 4.121 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.059 4.249 13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.054 5.488 12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.877 6.563 13.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.972 7.212 11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.304 7.468 11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.863 6.134 10.683 1.00 0.00 H new ATOM 1630 N PRO A 101 -9.076 4.300 15.239 1.00 0.00 N ATOM 1631 CA PRO A 101 -8.135 3.393 15.906 1.00 0.00 C ATOM 1632 C PRO A 101 -8.528 1.929 15.747 1.00 0.00 C ATOM 1633 O PRO A 101 -7.672 1.057 15.593 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.214 3.802 17.384 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.916 5.115 17.400 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.820 5.119 16.206 1.00 0.00 C ATOM 0 HA PRO A 101 -7.134 3.473 15.481 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.758 3.059 17.967 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.219 3.884 17.822 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.486 5.241 18.320 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.203 5.938 17.352 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.796 4.690 16.435 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.995 6.128 15.833 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.830 1.670 15.789 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.354 0.314 15.657 1.00 0.00 C ATOM 1646 C GLU A 102 -9.891 -0.348 14.360 1.00 0.00 C ATOM 1647 O GLU A 102 -9.957 -1.570 14.221 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.877 0.336 15.707 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.480 1.254 14.669 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.996 1.266 14.702 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.567 2.097 15.439 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.611 0.445 13.989 1.00 0.00 O ATOM 0 H GLU A 102 -10.546 2.385 15.914 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.966 -0.272 16.490 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.256 -0.675 15.557 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.200 0.653 16.699 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.110 2.267 14.828 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.145 0.944 13.679 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.426 0.461 13.414 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.960 -0.051 12.128 1.00 0.00 C ATOM 1661 C ASN A 103 -7.787 -1.011 12.301 1.00 0.00 C ATOM 1662 O ASN A 103 -6.923 -0.805 13.153 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.545 1.104 11.215 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.685 2.059 10.922 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.461 3.229 10.615 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.916 1.569 11.017 1.00 0.00 N ATOM 0 H ASN A 103 -9.361 1.474 13.513 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.786 -0.597 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.727 1.654 11.681 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.164 0.701 10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.720 2.169 10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.058 0.592 11.275 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.767 -2.062 11.483 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.703 -3.048 11.530 1.00 0.00 C ATOM 1675 C GLU A 104 -5.361 -2.406 11.192 1.00 0.00 C ATOM 1676 O GLU A 104 -5.302 -1.238 10.806 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.010 -4.183 10.553 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.674 -5.552 11.105 1.00 0.00 C ATOM 1679 CD GLU A 104 -6.974 -6.670 10.126 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.165 -6.996 9.944 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.016 -7.220 9.542 1.00 0.00 O ATOM 0 H GLU A 104 -8.481 -2.248 10.779 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.642 -3.453 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.068 -4.153 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.450 -4.022 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.617 -5.582 11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.239 -5.717 12.023 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.288 -3.175 11.330 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.946 -2.671 11.054 1.00 0.00 C ATOM 1690 C ARG A 105 -2.131 -3.679 10.250 1.00 0.00 C ATOM 1691 O ARG A 105 -2.502 -4.846 10.140 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.227 -2.369 12.379 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.807 -1.843 12.214 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.798 -0.331 12.138 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.263 0.268 13.384 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.320 1.579 13.600 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.940 2.428 12.653 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.759 2.042 14.762 1.00 0.00 N ATOM 0 H ARG A 105 -4.319 -4.149 11.631 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.039 -1.759 10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.811 -1.637 12.937 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.198 -3.279 12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.193 -2.173 13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.363 -2.260 11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.211 0.018 11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.434 -0.003 11.316 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.562 -0.355 14.134 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.603 2.075 11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.985 3.433 12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.053 1.393 15.491 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.802 3.048 14.927 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.045 -3.196 9.652 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.121 -4.031 8.895 1.00 0.00 C ATOM 1714 C TYR A 106 1.129 -3.223 8.565 1.00 0.00 C ATOM 1715 O TYR A 106 1.328 -2.781 7.435 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.775 -4.589 7.628 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.013 -5.736 7.010 1.00 0.00 C ATOM 1718 CD1 TYR A 106 1.166 -5.527 6.308 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.480 -7.036 7.134 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.858 -6.583 5.749 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.204 -8.096 6.580 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.373 -7.866 5.889 1.00 0.00 C ATOM 1723 OH TYR A 106 2.060 -8.921 5.333 1.00 0.00 O ATOM 0 H TYR A 106 -0.782 -2.211 9.680 1.00 0.00 H new ATOM 0 HA TYR A 106 0.159 -4.890 9.505 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.785 -4.922 7.867 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.868 -3.788 6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.548 -4.523 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.396 -7.221 7.675 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.774 -6.405 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.174 -9.102 6.687 1.00 0.00 H new ATOM 0 HH TYR A 106 1.586 -9.757 5.523 1.00 0.00 H new ATOM 1733 N THR A 107 1.959 -3.014 9.581 1.00 0.00 N ATOM 1734 CA THR A 107 3.182 -2.240 9.431 1.00 0.00 C ATOM 1735 C THR A 107 4.390 -3.136 9.182 1.00 0.00 C ATOM 1736 O THR A 107 5.018 -3.618 10.125 1.00 0.00 O ATOM 1737 CB THR A 107 3.445 -1.388 10.685 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.386 -1.575 11.633 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.556 0.085 10.330 1.00 0.00 C ATOM 0 H THR A 107 1.804 -3.373 10.523 1.00 0.00 H new ATOM 0 HA THR A 107 3.041 -1.592 8.566 1.00 0.00 H new ATOM 0 HB THR A 107 4.390 -1.710 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.560 -1.031 12.430 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.742 0.664 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.380 0.230 9.631 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.626 0.419 9.870 1.00 0.00 H new ATOM 1747 N LEU A 108 4.714 -3.360 7.912 1.00 0.00 N ATOM 1748 CA LEU A 108 5.861 -4.190 7.567 1.00 0.00 C ATOM 1749 C LEU A 108 7.155 -3.412 7.771 1.00 0.00 C ATOM 1750 O LEU A 108 7.652 -2.753 6.857 1.00 0.00 O ATOM 1751 CB LEU A 108 5.762 -4.693 6.122 1.00 0.00 C ATOM 1752 CG LEU A 108 7.047 -5.301 5.550 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.561 -6.418 6.445 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.810 -5.812 4.138 1.00 0.00 C ATOM 0 H LEU A 108 4.204 -2.983 7.113 1.00 0.00 H new ATOM 0 HA LEU A 108 5.864 -5.058 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.971 -5.441 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.458 -3.862 5.486 1.00 0.00 H new ATOM 0 HG LEU A 108 7.807 -4.521 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.474 -6.835 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.772 -6.021 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.806 -7.200 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.733 -6.241 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.033 -6.576 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.494 -4.986 3.500 1.00 0.00 H new ATOM 1766 N HIS A 109 7.687 -3.485 8.984 1.00 0.00 N ATOM 1767 CA HIS A 109 8.922 -2.793 9.317 1.00 0.00 C ATOM 1768 C HIS A 109 10.114 -3.475 8.659 1.00 0.00 C ATOM 1769 O HIS A 109 10.160 -4.700 8.544 1.00 0.00 O ATOM 1770 CB HIS A 109 9.103 -2.725 10.829 1.00 0.00 C ATOM 1771 CG HIS A 109 8.277 -1.663 11.484 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.771 -0.419 11.812 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.977 -1.663 11.868 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.814 0.302 12.367 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.715 -0.429 12.413 1.00 0.00 N ATOM 0 H HIS A 109 7.281 -4.017 9.753 1.00 0.00 H new ATOM 0 HA HIS A 109 8.861 -1.774 8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.846 -3.692 11.261 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.155 -2.546 11.053 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.278 -2.480 11.765 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.913 1.317 12.723 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.817 -0.127 12.792 1.00 0.00 H new ATOM 1784 N LEU A 110 11.077 -2.666 8.242 1.00 0.00 N ATOM 1785 CA LEU A 110 12.267 -3.160 7.561 1.00 0.00 C ATOM 1786 C LEU A 110 13.487 -2.316 7.906 1.00 0.00 C ATOM 1787 O LEU A 110 13.561 -1.141 7.543 1.00 0.00 O ATOM 1788 CB LEU A 110 12.052 -3.132 6.043 1.00 0.00 C ATOM 1789 CG LEU A 110 10.848 -3.930 5.532 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.623 -3.657 4.052 1.00 0.00 C ATOM 1791 CD2 LEU A 110 11.042 -5.419 5.777 1.00 0.00 C ATOM 0 H LEU A 110 11.057 -1.654 8.365 1.00 0.00 H new ATOM 0 HA LEU A 110 12.442 -4.183 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.938 -2.094 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.951 -3.514 5.559 1.00 0.00 H new ATOM 0 HG LEU A 110 9.965 -3.609 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.765 -4.231 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.434 -2.594 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.509 -3.951 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.175 -5.965 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.936 -5.760 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.155 -5.600 6.846 1.00 0.00 H new ATOM 1803 N ASN A 111 14.440 -2.913 8.610 1.00 0.00 N ATOM 1804 CA ASN A 111 15.667 -2.219 8.972 1.00 0.00 C ATOM 1805 C ASN A 111 16.641 -2.298 7.804 1.00 0.00 C ATOM 1806 O ASN A 111 17.767 -2.776 7.944 1.00 0.00 O ATOM 1807 CB ASN A 111 16.281 -2.833 10.232 1.00 0.00 C ATOM 1808 CG ASN A 111 17.455 -2.032 10.761 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.279 -1.083 11.525 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.663 -2.416 10.364 1.00 0.00 N ATOM 0 H ASN A 111 14.386 -3.876 8.941 1.00 0.00 H new ATOM 0 HA ASN A 111 15.445 -1.174 9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.517 -2.904 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.609 -3.849 10.013 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.490 -1.918 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.763 -3.208 9.730 1.00 0.00 H new ATOM 1817 N VAL A 112 16.175 -1.828 6.649 1.00 0.00 N ATOM 1818 CA VAL A 112 16.958 -1.844 5.416 1.00 0.00 C ATOM 1819 C VAL A 112 18.440 -1.595 5.684 1.00 0.00 C ATOM 1820 O VAL A 112 18.809 -0.604 6.315 1.00 0.00 O ATOM 1821 CB VAL A 112 16.452 -0.784 4.415 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.793 -1.193 2.994 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.955 -0.564 4.564 1.00 0.00 C ATOM 0 H VAL A 112 15.244 -1.425 6.542 1.00 0.00 H new ATOM 0 HA VAL A 112 16.834 -2.839 4.987 1.00 0.00 H new ATOM 0 HB VAL A 112 16.954 0.158 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.429 -0.435 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.874 -1.289 2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.321 -2.149 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.625 0.188 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.429 -1.500 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.736 -0.221 5.575 1.00 0.00 H new ATOM 1833 N LYS A 113 19.282 -2.502 5.199 1.00 0.00 N ATOM 1834 CA LYS A 113 20.724 -2.384 5.383 1.00 0.00 C ATOM 1835 C LYS A 113 21.269 -1.165 4.647 1.00 0.00 C ATOM 1836 O LYS A 113 21.393 -0.098 5.284 1.00 0.00 O ATOM 1837 CB LYS A 113 21.425 -3.651 4.889 1.00 0.00 C ATOM 1838 CG LYS A 113 21.064 -4.897 5.680 1.00 0.00 C ATOM 1839 CD LYS A 113 21.589 -4.822 7.105 1.00 0.00 C ATOM 1840 CE LYS A 113 21.258 -6.080 7.888 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.872 -7.291 7.279 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.568 -1.288 3.440 1.00 0.00 O ATOM 0 H LYS A 113 18.990 -3.327 4.675 1.00 0.00 H new ATOM 0 HA LYS A 113 20.922 -2.259 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.171 -3.811 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.504 -3.501 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.981 -5.018 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.476 -5.776 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.669 -4.676 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.158 -3.956 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.610 -5.972 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.176 -6.205 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.828 -8.080 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.353 -7.546 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.865 -7.094 7.041 1.00 0.00 H new