USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 641 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: D 53 ASN :FLIP amide:sc= -0.0347 F(o=-2.9!,f=-0.053) USER MOD Set 1.2: D 67 ASN : amide:sc= -0.0181 K(o=-0.053,f=-3.5!) USER MOD Set 2.1: D 17 ASN : amide:sc= -0.968 K(o=-1.1,f=-2.9!) USER MOD Set 2.2: D 21 ASN :FLIP amide:sc= -0.14 F(o=-2.4,f=-1.1) USER MOD Set 2.3: D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -0.063 K(o=-0.063,f=-1) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 19 LYS NZ :NH3+ 169:sc= -0.118 (180deg=-0.282) USER MOD Single : D 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.2) USER MOD Single : D 34 ASN :FLIP amide:sc= -0.0518 F(o=-1.8,f=-0.052) USER MOD Single : D 35 GLN : amide:sc= -0.698 K(o=-0.7,f=-7.2!) USER MOD Single : D 37 LYS NZ :NH3+ 142:sc= -2.99! (180deg=-5.5!) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.59! USER MOD Single : D 40 SER OG : rot 39:sc= -1.75! USER MOD Single : D 41 SER OG : rot 180:sc= -0.0222 USER MOD Single : D 42 ASN :FLIP amide:sc= -1.3 F(o=-2.9!,f=-1.3) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.0168 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -151:sc= -0.744 (180deg=-1.27) USER MOD Single : D 59 ASN : amide:sc= -2.09! C(o=-2.1!,f=-7.2!) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 150:sc= -0.611 USER MOD Single : D 69 LYS NZ :NH3+ -108:sc= -1.82 (180deg=-4.36!) USER MOD Single : D 70 SER OG : rot 140:sc= -1.82! USER MOD Single : D 71 THR OG1 : rot 25:sc= 0.377 USER MOD Single : D 74 ASN : amide:sc=-0.00758 X(o=-0.0076,f=-0.0076) USER MOD Single : D 76 SER OG : rot -130:sc= 0 USER MOD Single : D 77 ASN :FLIP amide:sc= -0.576 F(o=-1.7!,f=-0.58) USER MOD Single : D 80 ASN : amide:sc= -0.0986 X(o=-0.099,f=-0.58) USER MOD Single : D 81 LYS NZ :NH3+ -169:sc= -0.0401 (180deg=-0.222) USER MOD Single : D 83 ASN :FLIP amide:sc= -0.773 F(o=-5.1!,f=-0.77) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 165:sc= -0.0282 (180deg=-0.221) USER MOD Single : D 93 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.996 4.172 2.698 1.00 0.00 N ATOM 185 CA ILE D 13 6.269 3.239 3.537 1.00 0.00 C ATOM 186 C ILE D 13 5.386 3.983 4.532 1.00 0.00 C ATOM 187 O ILE D 13 4.518 3.405 5.186 1.00 0.00 O ATOM 188 CB ILE D 13 7.287 2.359 4.281 1.00 0.00 C ATOM 189 CG1 ILE D 13 8.241 1.747 3.269 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.608 1.272 5.103 1.00 0.00 C ATOM 191 CD1 ILE D 13 9.318 0.886 3.891 1.00 0.00 C ATOM 0 HA ILE D 13 5.621 2.619 2.918 1.00 0.00 H new ATOM 0 HB ILE D 13 7.839 2.985 4.982 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.670 1.145 2.563 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.712 2.547 2.698 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.365 0.674 5.612 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.951 1.731 5.842 1.00 0.00 H new ATOM 0 HG23 ILE D 13 6.021 0.631 4.445 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.960 0.484 3.107 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.915 1.488 4.576 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.856 0.065 4.439 1.00 0.00 H new ATOM 203 N ASN D 14 5.629 5.268 4.659 1.00 0.00 N ATOM 204 CA ASN D 14 4.859 6.089 5.592 1.00 0.00 C ATOM 205 C ASN D 14 3.721 6.828 4.885 1.00 0.00 C ATOM 206 O ASN D 14 2.545 6.677 5.235 1.00 0.00 O ATOM 207 CB ASN D 14 5.763 7.077 6.323 1.00 0.00 C ATOM 208 CG ASN D 14 6.815 6.380 7.166 1.00 0.00 C ATOM 209 OD1 ASN D 14 7.646 5.631 6.651 1.00 0.00 O ATOM 210 ND2 ASN D 14 6.788 6.617 8.468 1.00 0.00 N ATOM 0 H ASN D 14 6.346 5.772 4.137 1.00 0.00 H new ATOM 0 HA ASN D 14 4.415 5.416 6.326 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.253 7.724 5.596 1.00 0.00 H new ATOM 0 HB3 ASN D 14 5.155 7.718 6.961 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.471 6.173 9.081 1.00 0.00 H new ATOM 0 HD22 ASN D 14 6.084 7.244 8.858 1.00 0.00 H new ATOM 217 N SER D 15 4.064 7.617 3.871 1.00 0.00 N ATOM 218 CA SER D 15 3.057 8.352 3.119 1.00 0.00 C ATOM 219 C SER D 15 2.176 7.400 2.318 1.00 0.00 C ATOM 220 O SER D 15 1.068 7.765 1.932 1.00 0.00 O ATOM 221 CB SER D 15 3.693 9.401 2.210 1.00 0.00 C ATOM 222 OG SER D 15 4.467 10.320 2.970 1.00 0.00 O ATOM 0 H SER D 15 5.023 7.762 3.555 1.00 0.00 H new ATOM 0 HA SER D 15 2.427 8.877 3.837 1.00 0.00 H new ATOM 0 HB2 SER D 15 4.324 8.912 1.468 1.00 0.00 H new ATOM 0 HB3 SER D 15 2.916 9.936 1.664 1.00 0.00 H new ATOM 0 HG SER D 15 4.868 10.984 2.371 1.00 0.00 H new ATOM 228 N VAL D 16 2.624 6.146 2.161 1.00 0.00 N ATOM 229 CA VAL D 16 1.808 5.118 1.512 1.00 0.00 C ATOM 230 C VAL D 16 0.472 4.988 2.231 1.00 0.00 C ATOM 231 O VAL D 16 -0.570 4.809 1.599 1.00 0.00 O ATOM 232 CB VAL D 16 2.508 3.732 1.487 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.708 3.185 2.882 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.724 2.736 0.650 1.00 0.00 C ATOM 0 H VAL D 16 3.540 5.824 2.473 1.00 0.00 H new ATOM 0 HA VAL D 16 1.658 5.435 0.480 1.00 0.00 H new ATOM 0 HB VAL D 16 3.487 3.879 1.032 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.200 2.214 2.825 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.328 3.873 3.457 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.740 3.073 3.371 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.239 1.775 0.651 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.726 2.614 1.070 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.644 3.104 -0.373 1.00 0.00 H new ATOM 244 N ASN D 17 0.509 5.159 3.548 1.00 0.00 N ATOM 245 CA ASN D 17 -0.694 5.132 4.355 1.00 0.00 C ATOM 246 C ASN D 17 -1.555 6.330 4.035 1.00 0.00 C ATOM 247 O ASN D 17 -2.764 6.235 4.029 1.00 0.00 O ATOM 248 CB ASN D 17 -0.357 5.140 5.850 1.00 0.00 C ATOM 249 CG ASN D 17 0.456 3.940 6.292 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.550 3.695 5.792 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.063 3.193 7.252 1.00 0.00 N ATOM 0 H ASN D 17 1.367 5.318 4.077 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.233 4.214 4.123 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.195 6.050 6.085 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.284 5.172 6.423 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.449 2.383 7.601 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.975 3.427 7.644 1.00 0.00 H new ATOM 258 N ASP D 18 -0.923 7.476 3.850 1.00 0.00 N ATOM 259 CA ASP D 18 -1.641 8.724 3.627 1.00 0.00 C ATOM 260 C ASP D 18 -2.533 8.728 2.377 1.00 0.00 C ATOM 261 O ASP D 18 -3.481 9.510 2.310 1.00 0.00 O ATOM 262 CB ASP D 18 -0.655 9.879 3.541 1.00 0.00 C ATOM 263 CG ASP D 18 0.010 10.186 4.859 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.748 9.326 5.372 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.224 11.286 5.397 1.00 0.00 O1- ATOM 0 H ASP D 18 0.093 7.570 3.850 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.308 8.837 4.482 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.110 9.642 2.801 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.176 10.769 3.187 1.00 0.00 H new ATOM 270 N LYS D 19 -2.328 7.790 1.459 1.00 0.00 N ATOM 271 CA LYS D 19 -3.247 7.654 0.314 1.00 0.00 C ATOM 272 C LYS D 19 -4.337 6.709 0.690 1.00 0.00 C ATOM 273 O LYS D 19 -5.503 6.934 0.416 1.00 0.00 O ATOM 274 CB LYS D 19 -2.586 7.096 -0.951 1.00 0.00 C ATOM 275 CG LYS D 19 -1.535 7.995 -1.595 1.00 0.00 C ATOM 276 CD LYS D 19 -0.280 8.126 -0.765 1.00 0.00 C ATOM 277 CE LYS D 19 0.500 6.825 -0.733 1.00 0.00 C ATOM 278 NZ LYS D 19 1.014 6.431 -2.072 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.556 7.123 1.474 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.606 8.658 0.089 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.121 6.141 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.364 6.892 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.275 7.596 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.962 8.985 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.347 8.918 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.543 8.420 0.251 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.337 6.925 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS D 19 -0.140 6.032 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 1.689 5.647 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.221 6.128 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.492 7.243 -2.513 1.00 0.00 H new ATOM 292 N LEU D 20 -3.908 5.621 1.273 1.00 0.00 N ATOM 293 CA LEU D 20 -4.784 4.552 1.661 1.00 0.00 C ATOM 294 C LEU D 20 -5.764 5.026 2.722 1.00 0.00 C ATOM 295 O LEU D 20 -6.924 4.627 2.752 1.00 0.00 O ATOM 296 CB LEU D 20 -3.925 3.439 2.211 1.00 0.00 C ATOM 297 CG LEU D 20 -2.869 2.927 1.235 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.003 1.871 1.879 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.530 2.382 -0.021 1.00 0.00 C ATOM 0 H LEU D 20 -2.927 5.452 1.494 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.362 4.207 0.804 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.428 3.791 3.115 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.568 2.609 2.503 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.228 3.764 0.957 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.259 1.523 1.162 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.499 2.294 2.748 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.625 1.032 2.192 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.764 2.021 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.196 1.561 0.245 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.105 3.173 -0.502 1.00 0.00 H new ATOM 311 N ASN D 21 -5.273 5.897 3.587 1.00 0.00 N ATOM 312 CA ASN D 21 -6.069 6.472 4.651 1.00 0.00 C ATOM 313 C ASN D 21 -7.058 7.481 4.070 1.00 0.00 C ATOM 314 O ASN D 21 -6.663 8.586 3.704 1.00 0.00 O ATOM 315 CB ASN D 21 -5.162 7.163 5.687 1.00 0.00 C ATOM 316 CG ASN D 21 -4.361 6.200 6.556 1.00 0.00 C ATOM 317 OD1 ASN D 21 -4.416 4.907 6.260 1.00 0.00 O flip ATOM 318 ND2 ASN D 21 -3.668 6.627 7.479 1.00 0.00 N flip ATOM 0 H ASN D 21 -4.307 6.225 3.569 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.620 5.673 5.148 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.471 7.824 5.165 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.778 7.790 6.332 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.647 7.627 7.681 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.114 5.981 8.042 1.00 0.00 H new ATOM 325 N LYS D 22 -8.293 7.044 3.819 1.00 0.00 N ATOM 326 CA LYS D 22 -9.249 7.876 3.077 1.00 0.00 C ATOM 327 C LYS D 22 -10.492 8.243 3.889 1.00 0.00 C ATOM 328 O LYS D 22 -11.442 8.810 3.348 1.00 0.00 O ATOM 329 CB LYS D 22 -9.664 7.173 1.780 1.00 0.00 C ATOM 330 CG LYS D 22 -8.531 6.970 0.768 1.00 0.00 C ATOM 331 CD LYS D 22 -8.132 8.248 0.017 1.00 0.00 C ATOM 332 CE LYS D 22 -7.592 9.340 0.926 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.214 10.557 0.163 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.653 6.136 4.111 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.735 8.810 2.851 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.087 6.200 2.030 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.456 7.753 1.306 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.657 6.579 1.289 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -8.835 6.214 0.044 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.377 8.001 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.000 8.630 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -8.345 9.598 1.671 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -6.723 8.966 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.850 11.278 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -6.478 10.317 -0.531 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.049 10.929 -0.333 1.00 0.00 H new ATOM 347 N GLY D 23 -10.473 7.986 5.187 1.00 0.00 N ATOM 348 CA GLY D 23 -11.587 8.376 6.023 1.00 0.00 C ATOM 349 C GLY D 23 -12.640 7.294 6.148 1.00 0.00 C ATOM 350 O GLY D 23 -12.694 6.606 7.168 1.00 0.00 O ATOM 0 H GLY D 23 -9.710 7.517 5.675 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.217 8.632 7.016 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.045 9.276 5.612 1.00 0.00 H new ATOM 354 N LYS D 24 -13.426 7.095 5.083 1.00 0.00 N ATOM 355 CA LYS D 24 -14.427 6.024 5.042 1.00 0.00 C ATOM 356 C LYS D 24 -13.747 4.713 5.375 1.00 0.00 C ATOM 357 O LYS D 24 -14.030 4.086 6.388 1.00 0.00 O ATOM 358 CB LYS D 24 -15.033 5.931 3.640 1.00 0.00 C ATOM 359 CG LYS D 24 -16.216 4.986 3.502 1.00 0.00 C ATOM 360 CD LYS D 24 -17.427 5.473 4.275 1.00 0.00 C ATOM 361 CE LYS D 24 -18.654 4.643 3.939 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.851 5.075 4.707 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.387 7.663 4.237 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.218 6.235 5.761 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.348 6.928 3.332 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.254 5.615 2.946 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.476 4.883 2.449 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -15.932 3.996 3.859 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.227 5.417 5.345 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.616 6.521 4.040 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.862 4.720 2.872 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -18.449 3.593 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -20.664 4.481 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.664 4.977 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.064 6.069 4.488 1.00 0.00 H new ATOM 376 N GLY D 25 -12.767 4.384 4.561 1.00 0.00 N ATOM 377 CA GLY D 25 -11.938 3.242 4.794 1.00 0.00 C ATOM 378 C GLY D 25 -10.536 3.511 4.361 1.00 0.00 C ATOM 379 O GLY D 25 -10.254 4.551 3.768 1.00 0.00 O ATOM 0 H GLY D 25 -12.530 4.909 3.719 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -11.954 2.985 5.853 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.333 2.383 4.252 1.00 0.00 H new ATOM 383 N LYS D 26 -9.643 2.751 4.928 1.00 0.00 N ATOM 384 CA LYS D 26 -8.253 3.089 4.884 1.00 0.00 C ATOM 385 C LYS D 26 -7.384 1.853 4.936 1.00 0.00 C ATOM 386 O LYS D 26 -7.822 0.801 5.395 1.00 0.00 O ATOM 387 CB LYS D 26 -8.013 3.980 6.066 1.00 0.00 C ATOM 388 CG LYS D 26 -8.691 3.424 7.283 1.00 0.00 C ATOM 389 CD LYS D 26 -8.782 4.443 8.394 1.00 0.00 C ATOM 390 CE LYS D 26 -9.878 5.452 8.099 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.912 6.535 9.116 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.857 1.888 5.429 1.00 0.00 H new ATOM 0 HA LYS D 26 -7.995 3.591 3.952 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -6.942 4.073 6.248 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.389 4.982 5.857 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -9.693 3.086 7.018 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.143 2.550 7.636 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -8.986 3.942 9.340 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -7.827 4.956 8.504 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.719 5.884 7.111 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.843 4.945 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.672 7.206 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.088 6.124 10.055 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.000 7.034 9.122 1.00 0.00 H new ATOM 405 N LEU D 27 -6.146 1.997 4.514 1.00 0.00 N ATOM 406 CA LEU D 27 -5.201 0.905 4.560 1.00 0.00 C ATOM 407 C LEU D 27 -3.865 1.349 5.151 1.00 0.00 C ATOM 408 O LEU D 27 -3.461 2.502 5.015 1.00 0.00 O ATOM 409 CB LEU D 27 -5.040 0.312 3.176 1.00 0.00 C ATOM 410 CG LEU D 27 -3.869 -0.650 3.004 1.00 0.00 C ATOM 411 CD1 LEU D 27 -3.991 -1.848 3.928 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.760 -1.113 1.560 1.00 0.00 C ATOM 0 H LEU D 27 -5.770 2.865 4.133 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.588 0.130 5.221 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -5.959 -0.213 2.916 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.925 1.127 2.462 1.00 0.00 H new ATOM 0 HG LEU D 27 -2.961 -0.109 3.271 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.139 -2.512 3.778 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.008 -1.508 4.964 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -4.913 -2.385 3.707 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -2.918 -1.798 1.460 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.679 -1.623 1.271 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.604 -0.250 0.912 1.00 0.00 H new ATOM 424 N SER D 28 -3.244 0.450 5.888 1.00 0.00 N ATOM 425 CA SER D 28 -2.019 0.738 6.605 1.00 0.00 C ATOM 426 C SER D 28 -1.052 -0.420 6.464 1.00 0.00 C ATOM 427 O SER D 28 -1.479 -1.568 6.415 1.00 0.00 O ATOM 428 CB SER D 28 -2.345 0.946 8.081 1.00 0.00 C ATOM 429 OG SER D 28 -3.249 2.028 8.267 1.00 0.00 O ATOM 0 H SER D 28 -3.578 -0.507 6.007 1.00 0.00 H new ATOM 0 HA SER D 28 -1.561 1.637 6.193 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.778 0.034 8.491 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.426 1.139 8.634 1.00 0.00 H new ATOM 0 HG SER D 28 -3.439 2.135 9.222 1.00 0.00 H new ATOM 435 N LEU D 29 0.241 -0.141 6.363 1.00 0.00 N ATOM 436 CA LEU D 29 1.200 -1.216 6.198 1.00 0.00 C ATOM 437 C LEU D 29 2.469 -0.953 6.996 1.00 0.00 C ATOM 438 O LEU D 29 2.926 0.186 7.106 1.00 0.00 O ATOM 439 CB LEU D 29 1.550 -1.424 4.723 1.00 0.00 C ATOM 440 CG LEU D 29 0.456 -1.024 3.730 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.567 0.451 3.392 1.00 0.00 C ATOM 442 CD2 LEU D 29 0.510 -1.880 2.477 1.00 0.00 C ATOM 0 H LEU D 29 0.639 0.798 6.392 1.00 0.00 H new ATOM 0 HA LEU D 29 0.732 -2.124 6.578 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.450 -0.853 4.496 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.792 -2.476 4.568 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.512 -1.197 4.199 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.217 0.722 2.685 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.456 1.042 4.301 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.542 0.650 2.947 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.279 -1.572 1.791 1.00 0.00 H new ATOM 0 HD22 LEU D 29 1.479 -1.757 1.994 1.00 0.00 H new ATOM 0 HD23 LEU D 29 0.369 -2.927 2.745 1.00 0.00 H new ATOM 454 N SER D 30 3.044 -2.024 7.517 1.00 0.00 N ATOM 455 CA SER D 30 4.282 -1.961 8.275 1.00 0.00 C ATOM 456 C SER D 30 5.092 -3.221 8.008 1.00 0.00 C ATOM 457 O SER D 30 4.571 -4.182 7.443 1.00 0.00 O ATOM 458 CB SER D 30 3.985 -1.855 9.772 1.00 0.00 C ATOM 459 OG SER D 30 3.160 -0.737 10.059 1.00 0.00 O ATOM 0 H SER D 30 2.663 -2.966 7.426 1.00 0.00 H new ATOM 0 HA SER D 30 4.846 -1.081 7.966 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.495 -2.767 10.113 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.921 -1.770 10.325 1.00 0.00 H new ATOM 0 HG SER D 30 2.987 -0.697 11.023 1.00 0.00 H new ATOM 465 N MET D 31 6.336 -3.248 8.454 1.00 0.00 N ATOM 466 CA MET D 31 7.157 -4.440 8.296 1.00 0.00 C ATOM 467 C MET D 31 7.819 -4.816 9.603 1.00 0.00 C ATOM 468 O MET D 31 8.733 -4.138 10.069 1.00 0.00 O ATOM 469 CB MET D 31 8.223 -4.239 7.222 1.00 0.00 C ATOM 470 CG MET D 31 7.652 -3.872 5.860 1.00 0.00 C ATOM 471 SD MET D 31 8.928 -3.600 4.616 1.00 0.00 S ATOM 472 CE MET D 31 7.928 -3.197 3.186 1.00 0.00 C ATOM 0 H MET D 31 6.797 -2.469 8.923 1.00 0.00 H new ATOM 0 HA MET D 31 6.497 -5.250 7.986 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.908 -3.454 7.543 1.00 0.00 H new ATOM 0 HB3 MET D 31 8.809 -5.153 7.127 1.00 0.00 H new ATOM 0 HG2 MET D 31 6.987 -4.668 5.524 1.00 0.00 H new ATOM 0 HG3 MET D 31 7.047 -2.970 5.956 1.00 0.00 H new ATOM 0 HE1 MET D 31 8.576 -3.002 2.332 1.00 0.00 H new ATOM 0 HE2 MET D 31 7.267 -4.033 2.957 1.00 0.00 H new ATOM 0 HE3 MET D 31 7.331 -2.310 3.398 1.00 0.00 H new ATOM 482 N ASN D 32 7.385 -5.928 10.164 1.00 0.00 N ATOM 483 CA ASN D 32 7.971 -6.431 11.394 1.00 0.00 C ATOM 484 C ASN D 32 9.097 -7.397 11.044 1.00 0.00 C ATOM 485 O ASN D 32 8.862 -8.584 10.830 1.00 0.00 O ATOM 486 CB ASN D 32 6.903 -7.149 12.231 1.00 0.00 C ATOM 487 CG ASN D 32 7.388 -7.489 13.629 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.354 -8.232 13.805 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.723 -6.940 14.633 1.00 0.00 N ATOM 0 H ASN D 32 6.629 -6.501 9.789 1.00 0.00 H new ATOM 0 HA ASN D 32 8.367 -5.601 11.978 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.017 -6.518 12.301 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.603 -8.065 11.722 1.00 0.00 H new ATOM 0 HD21 ASN D 32 7.006 -7.127 15.595 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.928 -6.330 14.445 1.00 0.00 H new ATOM 496 N GLY D 33 10.297 -6.863 10.865 1.00 0.00 N ATOM 497 CA GLY D 33 11.402 -7.687 10.396 1.00 0.00 C ATOM 498 C GLY D 33 11.278 -7.992 8.915 1.00 0.00 C ATOM 499 O GLY D 33 11.070 -7.088 8.106 1.00 0.00 O ATOM 0 H GLY D 33 10.528 -5.884 11.033 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.345 -7.175 10.585 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.427 -8.619 10.960 1.00 0.00 H new ATOM 503 N ASN D 34 11.305 -9.273 8.562 1.00 0.00 N ATOM 504 CA ASN D 34 11.097 -9.693 7.174 1.00 0.00 C ATOM 505 C ASN D 34 9.614 -9.932 6.911 1.00 0.00 C ATOM 506 O ASN D 34 9.244 -10.860 6.193 1.00 0.00 O ATOM 507 CB ASN D 34 11.870 -10.981 6.856 1.00 0.00 C ATOM 508 CG ASN D 34 13.379 -10.849 6.971 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.863 -9.671 7.334 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 14.110 -11.810 6.731 1.00 0.00 N flip ATOM 0 H ASN D 34 11.468 -10.040 9.214 1.00 0.00 H new ATOM 0 HA ASN D 34 11.466 -8.893 6.533 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.533 -11.769 7.530 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.621 -11.300 5.844 1.00 0.00 H new ATOM 0 HD21 ASN D 34 13.703 -12.703 6.454 1.00 0.00 H new ATOM 0 HD22 ASN D 34 15.122 -11.713 6.809 1.00 0.00 H new ATOM 517 N GLN D 35 8.769 -9.184 7.603 1.00 0.00 N ATOM 518 CA GLN D 35 7.337 -9.421 7.553 1.00 0.00 C ATOM 519 C GLN D 35 6.599 -8.231 6.962 1.00 0.00 C ATOM 520 O GLN D 35 7.041 -7.095 7.081 1.00 0.00 O ATOM 521 CB GLN D 35 6.821 -9.683 8.958 1.00 0.00 C ATOM 522 CG GLN D 35 5.364 -10.112 9.027 1.00 0.00 C ATOM 523 CD GLN D 35 5.080 -11.373 8.233 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.245 -11.402 7.013 1.00 0.00 O ATOM 525 NE2 GLN D 35 4.643 -12.417 8.918 1.00 0.00 N ATOM 0 H GLN D 35 9.050 -8.410 8.204 1.00 0.00 H new ATOM 0 HA GLN D 35 7.157 -10.286 6.915 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.436 -10.456 9.419 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.948 -8.778 9.552 1.00 0.00 H new ATOM 0 HG2 GLN D 35 5.088 -10.275 10.069 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.735 -9.304 8.653 1.00 0.00 H new ATOM 0 HE21 GLN D 35 4.521 -12.349 9.928 1.00 0.00 H new ATOM 0 HE22 GLN D 35 4.428 -13.290 8.436 1.00 0.00 H new ATOM 534 N LEU D 36 5.437 -8.506 6.394 1.00 0.00 N ATOM 535 CA LEU D 36 4.570 -7.477 5.847 1.00 0.00 C ATOM 536 C LEU D 36 3.238 -7.484 6.581 1.00 0.00 C ATOM 537 O LEU D 36 2.679 -8.546 6.857 1.00 0.00 O ATOM 538 CB LEU D 36 4.444 -7.716 4.337 1.00 0.00 C ATOM 539 CG LEU D 36 3.435 -6.877 3.522 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.999 -7.287 3.809 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.615 -5.390 3.789 1.00 0.00 C ATOM 0 H LEU D 36 5.068 -9.452 6.299 1.00 0.00 H new ATOM 0 HA LEU D 36 4.985 -6.479 5.991 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.429 -7.562 3.897 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.191 -8.766 4.191 1.00 0.00 H new ATOM 0 HG LEU D 36 3.639 -7.071 2.469 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.320 -6.674 3.217 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.861 -8.336 3.548 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.785 -7.145 4.868 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.891 -4.825 3.202 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.458 -5.189 4.849 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.624 -5.089 3.508 1.00 0.00 H new ATOM 553 N LYS D 37 2.864 -6.315 7.079 1.00 0.00 N ATOM 554 CA LYS D 37 1.745 -6.195 8.001 1.00 0.00 C ATOM 555 C LYS D 37 0.783 -5.110 7.537 1.00 0.00 C ATOM 556 O LYS D 37 1.164 -3.948 7.436 1.00 0.00 O ATOM 557 CB LYS D 37 2.299 -5.829 9.379 1.00 0.00 C ATOM 558 CG LYS D 37 3.408 -6.763 9.848 1.00 0.00 C ATOM 559 CD LYS D 37 2.918 -8.176 10.169 1.00 0.00 C ATOM 560 CE LYS D 37 1.992 -8.244 11.386 1.00 0.00 C ATOM 561 NZ LYS D 37 0.700 -7.533 11.187 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.322 -5.431 6.858 1.00 0.00 H new ATOM 0 HA LYS D 37 1.202 -7.139 8.042 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.680 -4.808 9.351 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.487 -5.846 10.106 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.176 -6.819 9.076 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.878 -6.339 10.735 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.393 -8.575 9.301 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.780 -8.819 10.343 1.00 0.00 H new ATOM 0 HE2 LYS D 37 1.790 -9.289 11.622 1.00 0.00 H new ATOM 0 HE3 LYS D 37 2.505 -7.816 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 -0.066 -8.072 11.639 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 0.756 -6.586 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 0.506 -7.444 10.169 1.00 0.00 H new ATOM 575 N ALA D 38 -0.452 -5.479 7.235 1.00 0.00 N ATOM 576 CA ALA D 38 -1.424 -4.510 6.757 1.00 0.00 C ATOM 577 C ALA D 38 -2.628 -4.406 7.671 1.00 0.00 C ATOM 578 O ALA D 38 -3.019 -5.369 8.335 1.00 0.00 O ATOM 579 CB ALA D 38 -1.877 -4.870 5.363 1.00 0.00 C ATOM 0 H ALA D 38 -0.802 -6.434 7.312 1.00 0.00 H new ATOM 0 HA ALA D 38 -0.929 -3.539 6.747 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.605 -4.137 5.016 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.019 -4.875 4.691 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.335 -5.859 5.373 1.00 0.00 H new ATOM 585 N THR D 39 -3.237 -3.234 7.646 1.00 0.00 N ATOM 586 CA THR D 39 -4.437 -2.959 8.404 1.00 0.00 C ATOM 587 C THR D 39 -5.369 -2.026 7.639 1.00 0.00 C ATOM 588 O THR D 39 -5.019 -0.896 7.322 1.00 0.00 O ATOM 589 CB THR D 39 -4.083 -2.361 9.768 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.018 -1.439 9.658 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.712 -3.388 10.816 1.00 0.00 C ATOM 0 H THR D 39 -2.907 -2.442 7.094 1.00 0.00 H new ATOM 0 HA THR D 39 -4.960 -3.903 8.561 1.00 0.00 H new ATOM 0 HB THR D 39 -4.996 -1.865 10.097 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.812 -1.070 10.542 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.475 -2.883 11.752 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.550 -4.068 10.972 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.843 -3.954 10.479 1.00 0.00 H new ATOM 599 N SER D 40 -6.602 -2.455 7.493 1.00 0.00 N ATOM 600 CA SER D 40 -7.650 -1.620 6.935 1.00 0.00 C ATOM 601 C SER D 40 -8.591 -1.238 8.046 1.00 0.00 C ATOM 602 O SER D 40 -9.004 -2.091 8.831 1.00 0.00 O ATOM 603 CB SER D 40 -8.406 -2.366 5.861 1.00 0.00 C ATOM 604 OG SER D 40 -8.791 -3.656 6.308 1.00 0.00 O ATOM 0 H SER D 40 -6.910 -3.391 7.756 1.00 0.00 H new ATOM 0 HA SER D 40 -7.209 -0.730 6.486 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.291 -1.798 5.574 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.784 -2.457 4.971 1.00 0.00 H new ATOM 0 HG SER D 40 -9.071 -3.607 7.246 1.00 0.00 H new ATOM 610 N SER D 41 -8.867 0.033 8.176 1.00 0.00 N ATOM 611 CA SER D 41 -9.693 0.477 9.288 1.00 0.00 C ATOM 612 C SER D 41 -11.116 0.766 8.834 1.00 0.00 C ATOM 613 O SER D 41 -11.372 0.918 7.632 1.00 0.00 O ATOM 614 CB SER D 41 -9.067 1.681 9.994 1.00 0.00 C ATOM 615 OG SER D 41 -9.888 2.154 11.049 1.00 0.00 O ATOM 0 H SER D 41 -8.546 0.769 7.548 1.00 0.00 H new ATOM 0 HA SER D 41 -9.743 -0.334 10.014 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.090 1.404 10.389 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.904 2.482 9.273 1.00 0.00 H new ATOM 0 HG SER D 41 -9.457 2.922 11.479 1.00 0.00 H new ATOM 621 N ASN D 42 -12.041 0.680 9.797 1.00 0.00 N ATOM 622 CA ASN D 42 -13.486 0.754 9.553 1.00 0.00 C ATOM 623 C ASN D 42 -14.003 -0.558 8.978 1.00 0.00 C ATOM 624 O ASN D 42 -15.201 -0.711 8.745 1.00 0.00 O ATOM 625 CB ASN D 42 -13.863 1.944 8.672 1.00 0.00 C ATOM 626 CG ASN D 42 -13.586 3.256 9.373 1.00 0.00 C ATOM 627 OD1 ASN D 42 -12.694 4.051 8.811 1.00 0.00 O flip ATOM 628 ND2 ASN D 42 -14.166 3.547 10.419 1.00 0.00 N flip ATOM 0 H ASN D 42 -11.804 0.555 10.781 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.973 0.916 10.515 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.300 1.902 7.739 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.919 1.885 8.410 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -14.849 2.904 10.820 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -13.964 4.432 10.885 1.00 0.00 H new ATOM 635 N ALA D 43 -13.113 -1.554 8.977 1.00 0.00 N ATOM 636 CA ALA D 43 -13.466 -2.946 8.698 1.00 0.00 C ATOM 637 C ALA D 43 -14.352 -3.129 7.465 1.00 0.00 C ATOM 638 O ALA D 43 -15.418 -3.736 7.562 1.00 0.00 O ATOM 639 CB ALA D 43 -14.140 -3.555 9.919 1.00 0.00 C ATOM 0 H ALA D 43 -12.121 -1.415 9.171 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.532 -3.462 8.475 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.403 -4.592 9.710 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.457 -3.517 10.768 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -15.043 -2.992 10.155 1.00 0.00 H new ATOM 645 N GLY D 44 -13.866 -2.748 6.285 1.00 0.00 N ATOM 646 CA GLY D 44 -14.610 -3.056 5.091 1.00 0.00 C ATOM 647 C GLY D 44 -14.920 -1.871 4.212 1.00 0.00 C ATOM 648 O GLY D 44 -15.373 -2.045 3.089 1.00 0.00 O ATOM 0 H GLY D 44 -12.991 -2.244 6.143 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -14.047 -3.785 4.508 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.548 -3.532 5.378 1.00 0.00 H new ATOM 652 N TYR D 45 -14.757 -0.676 4.731 1.00 0.00 N ATOM 653 CA TYR D 45 -15.106 0.529 3.977 1.00 0.00 C ATOM 654 C TYR D 45 -14.055 0.847 2.910 1.00 0.00 C ATOM 655 O TYR D 45 -12.881 0.493 3.050 1.00 0.00 O ATOM 656 CB TYR D 45 -15.268 1.736 4.909 1.00 0.00 C ATOM 657 CG TYR D 45 -16.438 1.646 5.885 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.007 2.798 6.421 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.985 0.423 6.257 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.071 2.731 7.296 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.051 0.351 7.133 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.588 1.508 7.649 1.00 0.00 C ATOM 663 OH TYR D 45 -19.649 1.443 8.524 1.00 0.00 O ATOM 0 H TYR D 45 -14.388 -0.502 5.666 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.057 0.330 3.483 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.348 1.861 5.479 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.390 2.632 4.300 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.607 3.763 6.146 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.569 -0.488 5.853 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.496 3.637 7.702 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.461 -0.609 7.411 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.896 0.506 8.670 1.00 0.00 H new ATOM 673 N GLY D 46 -14.476 1.586 1.889 1.00 0.00 N ATOM 674 CA GLY D 46 -13.566 2.040 0.845 1.00 0.00 C ATOM 675 C GLY D 46 -13.223 3.497 1.016 1.00 0.00 C ATOM 676 O GLY D 46 -13.365 4.032 2.097 1.00 0.00 O ATOM 0 H GLY D 46 -15.443 1.883 1.763 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.654 1.444 0.870 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.023 1.884 -0.132 1.00 0.00 H new ATOM 680 N ILE D 47 -12.806 4.147 -0.055 1.00 0.00 N ATOM 681 CA ILE D 47 -12.479 5.570 -0.028 1.00 0.00 C ATOM 682 C ILE D 47 -13.648 6.347 0.525 1.00 0.00 C ATOM 683 O ILE D 47 -13.536 7.151 1.452 1.00 0.00 O ATOM 684 CB ILE D 47 -12.298 6.129 -1.431 1.00 0.00 C ATOM 685 CG1 ILE D 47 -11.690 5.133 -2.360 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.489 7.412 -1.412 1.00 0.00 C ATOM 687 CD1 ILE D 47 -12.724 4.217 -2.985 1.00 0.00 C ATOM 0 H ILE D 47 -12.683 3.709 -0.968 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.570 5.665 0.566 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.294 6.359 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.150 5.658 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.959 4.534 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.377 7.787 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.003 8.157 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.505 7.215 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -12.229 3.511 -3.652 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.246 3.669 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -13.441 4.811 -3.552 1.00 0.00 H new ATOM 699 N SER D 48 -14.739 6.134 -0.182 1.00 0.00 N ATOM 700 CA SER D 48 -16.011 6.800 0.019 1.00 0.00 C ATOM 701 C SER D 48 -16.912 6.326 -1.110 1.00 0.00 C ATOM 702 O SER D 48 -17.004 5.123 -1.348 1.00 0.00 O ATOM 703 CB SER D 48 -15.846 8.329 -0.006 1.00 0.00 C ATOM 704 OG SER D 48 -17.082 8.988 0.227 1.00 0.00 O ATOM 0 H SER D 48 -14.765 5.461 -0.948 1.00 0.00 H new ATOM 0 HA SER D 48 -16.436 6.558 0.993 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.123 8.631 0.752 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.444 8.637 -0.971 1.00 0.00 H new ATOM 0 HG SER D 48 -16.944 9.958 0.207 1.00 0.00 H new ATOM 710 N TYR D 49 -17.323 7.242 -1.971 1.00 0.00 N ATOM 711 CA TYR D 49 -17.911 6.852 -3.242 1.00 0.00 C ATOM 712 C TYR D 49 -17.081 7.409 -4.386 1.00 0.00 C ATOM 713 O TYR D 49 -17.461 8.396 -5.020 1.00 0.00 O ATOM 714 CB TYR D 49 -19.359 7.324 -3.369 1.00 0.00 C ATOM 715 CG TYR D 49 -20.361 6.517 -2.538 1.00 0.00 C ATOM 716 CD1 TYR D 49 -21.563 6.024 -3.072 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.099 6.246 -1.197 1.00 0.00 C ATOM 718 CE1 TYR D 49 -22.441 5.298 -2.293 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.979 5.521 -0.421 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.145 5.050 -0.972 1.00 0.00 C ATOM 721 OH TYR D 49 -23.020 4.324 -0.201 1.00 0.00 O ATOM 0 H TYR D 49 -17.262 8.248 -1.817 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.915 5.763 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.415 8.370 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.653 7.277 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.804 6.216 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.185 6.612 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -23.360 4.925 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -20.752 5.324 0.616 1.00 0.00 H new ATOM 0 HH TYR D 49 -22.662 4.238 0.707 1.00 0.00 H new ATOM 731 N GLU D 50 -15.948 6.768 -4.644 1.00 0.00 N ATOM 732 CA GLU D 50 -15.052 7.189 -5.712 1.00 0.00 C ATOM 733 C GLU D 50 -14.467 5.998 -6.444 1.00 0.00 C ATOM 734 O GLU D 50 -14.816 4.852 -6.160 1.00 0.00 O ATOM 735 CB GLU D 50 -13.900 8.020 -5.169 1.00 0.00 C ATOM 736 CG GLU D 50 -14.301 9.373 -4.641 1.00 0.00 C ATOM 737 CD GLU D 50 -14.870 10.282 -5.708 1.00 0.00 C ATOM 738 OE1 GLU D 50 -15.313 11.390 -5.363 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.841 9.901 -6.895 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.627 5.951 -4.125 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.650 7.787 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.411 7.462 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.162 8.156 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.040 9.243 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.432 9.852 -4.189 1.00 0.00 H new ATOM 746 N ASP D 51 -13.470 6.269 -7.288 1.00 0.00 N ATOM 747 CA ASP D 51 -12.730 5.190 -7.946 1.00 0.00 C ATOM 748 C ASP D 51 -11.242 5.508 -8.005 1.00 0.00 C ATOM 749 O ASP D 51 -10.853 6.608 -8.400 1.00 0.00 O ATOM 750 CB ASP D 51 -13.236 4.904 -9.371 1.00 0.00 C ATOM 751 CG ASP D 51 -14.738 4.708 -9.478 1.00 0.00 C ATOM 752 OD1 ASP D 51 -15.493 5.654 -9.185 1.00 0.00 O ATOM 753 OD2 ASP D 51 -15.166 3.608 -9.873 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.160 7.210 -7.530 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.898 4.299 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.943 5.730 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.738 4.011 -9.747 1.00 0.00 H new ATOM 758 N LYS D 52 -10.410 4.521 -7.656 1.00 0.00 N ATOM 759 CA LYS D 52 -8.958 4.659 -7.707 1.00 0.00 C ATOM 760 C LYS D 52 -8.340 3.341 -8.115 1.00 0.00 C ATOM 761 O LYS D 52 -8.835 2.283 -7.730 1.00 0.00 O ATOM 762 CB LYS D 52 -8.345 5.075 -6.368 1.00 0.00 C ATOM 763 CG LYS D 52 -8.750 6.451 -5.861 1.00 0.00 C ATOM 764 CD LYS D 52 -10.151 6.471 -5.275 1.00 0.00 C ATOM 765 CE LYS D 52 -10.548 7.890 -4.900 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.602 8.487 -3.918 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.727 3.608 -7.331 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.748 5.445 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.620 4.335 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.259 5.046 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.039 6.778 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.693 7.167 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.860 6.067 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.193 5.830 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.579 8.508 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.554 7.887 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.105 9.182 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.213 7.737 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.827 8.959 -4.426 1.00 0.00 H new ATOM 780 N ASN D 53 -7.200 3.400 -8.780 1.00 0.00 N ATOM 781 CA ASN D 53 -6.451 2.193 -9.100 1.00 0.00 C ATOM 782 C ASN D 53 -5.084 2.238 -8.458 1.00 0.00 C ATOM 783 O ASN D 53 -4.459 3.296 -8.381 1.00 0.00 O ATOM 784 CB ASN D 53 -6.311 1.988 -10.608 1.00 0.00 C ATOM 785 CG ASN D 53 -7.599 1.551 -11.275 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.698 1.505 -10.530 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.611 1.264 -12.470 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.772 4.266 -9.109 1.00 0.00 H new ATOM 0 HA ASN D 53 -7.013 1.348 -8.701 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.971 2.918 -11.064 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.541 1.240 -10.796 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.749 1.310 -13.014 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.483 0.980 -12.918 1.00 0.00 H new ATOM 794 N TRP D 54 -4.656 1.108 -7.921 1.00 0.00 N ATOM 795 CA TRP D 54 -3.403 1.054 -7.198 1.00 0.00 C ATOM 796 C TRP D 54 -2.442 0.016 -7.718 1.00 0.00 C ATOM 797 O TRP D 54 -2.842 -1.056 -8.176 1.00 0.00 O ATOM 798 CB TRP D 54 -3.634 0.810 -5.719 1.00 0.00 C ATOM 799 CG TRP D 54 -3.541 2.072 -4.955 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.281 3.208 -5.091 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.558 2.344 -3.986 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.796 4.175 -4.243 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.731 3.656 -3.556 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.541 1.585 -3.436 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.900 4.223 -2.609 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.739 2.154 -2.490 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.914 3.462 -2.090 1.00 0.00 C ATOM 0 H TRP D 54 -5.157 0.221 -7.973 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.946 2.031 -7.355 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.616 0.361 -5.569 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.898 0.098 -5.344 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.119 3.330 -5.761 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.167 5.120 -4.142 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.385 0.563 -3.749 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -2.036 5.247 -2.293 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.050 1.567 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP D 54 -0.251 3.884 -1.349 1.00 0.00 H new ATOM 818 N GLY D 55 -1.163 0.289 -7.495 1.00 0.00 N ATOM 819 CA GLY D 55 -0.151 -0.680 -7.791 1.00 0.00 C ATOM 820 C GLY D 55 0.907 -0.739 -6.718 1.00 0.00 C ATOM 821 O GLY D 55 1.136 0.218 -5.979 1.00 0.00 O ATOM 0 H GLY D 55 -0.817 1.169 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.611 -1.662 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.315 -0.437 -8.746 1.00 0.00 H new ATOM 825 N ILE D 56 1.561 -1.866 -6.683 1.00 0.00 N ATOM 826 CA ILE D 56 2.655 -2.150 -5.768 1.00 0.00 C ATOM 827 C ILE D 56 3.797 -2.720 -6.592 1.00 0.00 C ATOM 828 O ILE D 56 3.724 -3.862 -7.038 1.00 0.00 O ATOM 829 CB ILE D 56 2.203 -3.181 -4.704 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.075 -2.610 -3.840 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.369 -3.598 -3.823 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.407 -3.650 -2.969 1.00 0.00 C ATOM 0 H ILE D 56 1.348 -2.644 -7.307 1.00 0.00 H new ATOM 0 HA ILE D 56 2.968 -1.244 -5.249 1.00 0.00 H new ATOM 0 HB ILE D 56 1.832 -4.061 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.476 -1.819 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.327 -2.152 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.026 -4.322 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.147 -4.049 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.771 -2.722 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.383 -3.181 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE D 56 -0.023 -4.430 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.144 -4.091 -2.298 1.00 0.00 H new ATOM 844 N PHE D 57 4.716 -1.864 -7.002 1.00 0.00 N ATOM 845 CA PHE D 57 5.689 -2.267 -8.006 1.00 0.00 C ATOM 846 C PHE D 57 6.970 -2.779 -7.368 1.00 0.00 C ATOM 847 O PHE D 57 7.862 -1.997 -7.035 1.00 0.00 O ATOM 848 CB PHE D 57 6.003 -1.121 -8.982 1.00 0.00 C ATOM 849 CG PHE D 57 4.783 -0.545 -9.659 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.452 -0.930 -10.948 1.00 0.00 C ATOM 851 CD2 PHE D 57 3.976 0.391 -9.018 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.337 -0.410 -11.579 1.00 0.00 C ATOM 853 CE2 PHE D 57 2.867 0.913 -9.649 1.00 0.00 C ATOM 854 CZ PHE D 57 2.544 0.513 -10.926 1.00 0.00 C ATOM 0 H PHE D 57 4.811 -0.906 -6.665 1.00 0.00 H new ATOM 0 HA PHE D 57 5.239 -3.083 -8.571 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.516 -0.326 -8.441 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.692 -1.484 -9.744 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.073 -1.645 -11.467 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.221 0.711 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.087 -0.725 -12.581 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.250 1.638 -9.140 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.672 0.920 -11.416 1.00 0.00 H new ATOM 864 N VAL D 58 7.101 -4.101 -7.325 1.00 0.00 N ATOM 865 CA VAL D 58 8.328 -4.739 -6.877 1.00 0.00 C ATOM 866 C VAL D 58 9.328 -4.811 -8.028 1.00 0.00 C ATOM 867 O VAL D 58 9.186 -5.631 -8.940 1.00 0.00 O ATOM 868 CB VAL D 58 8.066 -6.156 -6.308 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.366 -6.846 -5.940 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.168 -6.079 -5.088 1.00 0.00 C ATOM 0 H VAL D 58 6.365 -4.753 -7.598 1.00 0.00 H new ATOM 0 HA VAL D 58 8.743 -4.133 -6.072 1.00 0.00 H new ATOM 0 HB VAL D 58 7.570 -6.739 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.152 -7.838 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.993 -6.937 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL D 58 9.889 -6.259 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL D 58 6.994 -7.083 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.648 -5.472 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.216 -5.627 -5.365 1.00 0.00 H new ATOM 880 N ASN D 59 10.308 -3.909 -7.991 1.00 0.00 N ATOM 881 CA ASN D 59 11.333 -3.798 -9.032 1.00 0.00 C ATOM 882 C ASN D 59 10.716 -3.509 -10.394 1.00 0.00 C ATOM 883 O ASN D 59 11.110 -4.103 -11.396 1.00 0.00 O ATOM 884 CB ASN D 59 12.190 -5.067 -9.120 1.00 0.00 C ATOM 885 CG ASN D 59 12.934 -5.367 -7.836 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.326 -5.618 -6.799 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.257 -5.340 -7.895 1.00 0.00 N ATOM 0 H ASN D 59 10.415 -3.232 -7.236 1.00 0.00 H new ATOM 0 HA ASN D 59 11.973 -2.962 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.551 -5.914 -9.370 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.908 -4.959 -9.933 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.809 -5.532 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.724 -5.127 -8.777 1.00 0.00 H new ATOM 894 N GLY D 60 9.779 -2.569 -10.445 1.00 0.00 N ATOM 895 CA GLY D 60 9.181 -2.208 -11.718 1.00 0.00 C ATOM 896 C GLY D 60 7.903 -2.959 -11.993 1.00 0.00 C ATOM 897 O GLY D 60 7.041 -2.500 -12.746 1.00 0.00 O ATOM 0 H GLY D 60 9.425 -2.055 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.978 -1.137 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY D 60 9.894 -2.406 -12.519 1.00 0.00 H new ATOM 901 N GLU D 61 7.846 -4.162 -11.469 1.00 0.00 N ATOM 902 CA GLU D 61 6.742 -5.073 -11.732 1.00 0.00 C ATOM 903 C GLU D 61 5.617 -4.854 -10.732 1.00 0.00 C ATOM 904 O GLU D 61 5.797 -5.053 -9.533 1.00 0.00 O ATOM 905 CB GLU D 61 7.241 -6.522 -11.635 1.00 0.00 C ATOM 906 CG GLU D 61 6.184 -7.573 -11.934 1.00 0.00 C ATOM 907 CD GLU D 61 5.666 -7.492 -13.349 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.479 -7.625 -14.286 1.00 0.00 O ATOM 909 OE2 GLU D 61 4.447 -7.305 -13.528 1.00 0.00 O1- ATOM 0 H GLU D 61 8.560 -4.542 -10.848 1.00 0.00 H new ATOM 0 HA GLU D 61 6.360 -4.880 -12.734 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.073 -6.654 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.631 -6.692 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU D 61 6.604 -8.564 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU D 61 5.352 -7.454 -11.240 1.00 0.00 H new ATOM 916 N LYS D 62 4.440 -4.501 -11.236 1.00 0.00 N ATOM 917 CA LYS D 62 3.274 -4.332 -10.382 1.00 0.00 C ATOM 918 C LYS D 62 2.823 -5.699 -9.889 1.00 0.00 C ATOM 919 O LYS D 62 2.275 -6.497 -10.651 1.00 0.00 O ATOM 920 CB LYS D 62 2.154 -3.619 -11.147 1.00 0.00 C ATOM 921 CG LYS D 62 0.911 -3.333 -10.315 1.00 0.00 C ATOM 922 CD LYS D 62 -0.101 -2.508 -11.098 1.00 0.00 C ATOM 923 CE LYS D 62 -0.552 -3.221 -12.364 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.497 -2.398 -13.166 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.270 -4.327 -12.227 1.00 0.00 H new ATOM 0 HA LYS D 62 3.529 -3.712 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.539 -2.678 -11.539 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.870 -4.229 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.455 -4.273 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.193 -2.800 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.967 -2.302 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.339 -1.546 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.319 -3.466 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.030 -4.164 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.777 -2.923 -14.019 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -2.341 -2.185 -12.597 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.034 -1.509 -13.444 1.00 0.00 H new ATOM 938 N VAL D 63 3.230 -6.020 -8.673 1.00 0.00 N ATOM 939 CA VAL D 63 3.064 -7.356 -8.137 1.00 0.00 C ATOM 940 C VAL D 63 1.627 -7.599 -7.677 1.00 0.00 C ATOM 941 O VAL D 63 1.126 -8.721 -7.743 1.00 0.00 O ATOM 942 CB VAL D 63 4.064 -7.590 -6.993 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.788 -6.685 -5.806 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.115 -9.043 -6.567 1.00 0.00 C ATOM 0 H VAL D 63 3.682 -5.365 -8.035 1.00 0.00 H new ATOM 0 HA VAL D 63 3.270 -8.074 -8.931 1.00 0.00 H new ATOM 0 HB VAL D 63 5.047 -7.331 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.517 -6.883 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL D 63 3.864 -5.643 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.785 -6.878 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.835 -9.160 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.129 -9.356 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.418 -9.660 -7.413 1.00 0.00 H new ATOM 954 N TYR D 64 0.949 -6.533 -7.263 1.00 0.00 N ATOM 955 CA TYR D 64 -0.445 -6.633 -6.852 1.00 0.00 C ATOM 956 C TYR D 64 -1.218 -5.393 -7.278 1.00 0.00 C ATOM 957 O TYR D 64 -0.756 -4.267 -7.080 1.00 0.00 O ATOM 958 CB TYR D 64 -0.546 -6.804 -5.336 1.00 0.00 C ATOM 959 CG TYR D 64 -1.957 -7.085 -4.851 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.533 -6.345 -3.824 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.712 -8.102 -5.422 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.814 -6.613 -3.386 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.994 -8.372 -4.988 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.541 -7.626 -3.970 1.00 0.00 C ATOM 965 OH TYR D 64 -5.817 -7.895 -3.530 1.00 0.00 O ATOM 0 H TYR D 64 1.342 -5.593 -7.204 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.879 -7.507 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.106 -7.621 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.177 -5.900 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.969 -5.548 -3.362 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.288 -8.692 -6.221 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.246 -6.029 -2.586 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.565 -9.166 -5.446 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.192 -8.638 -4.047 1.00 0.00 H new ATOM 975 N THR D 65 -2.429 -5.600 -7.780 1.00 0.00 N ATOM 976 CA THR D 65 -3.307 -4.494 -8.128 1.00 0.00 C ATOM 977 C THR D 65 -4.557 -4.517 -7.266 1.00 0.00 C ATOM 978 O THR D 65 -5.428 -5.372 -7.453 1.00 0.00 O ATOM 979 CB THR D 65 -3.708 -4.547 -9.585 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.571 -4.577 -10.432 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.584 -3.379 -10.022 1.00 0.00 C ATOM 0 H THR D 65 -2.824 -6.524 -7.955 1.00 0.00 H new ATOM 0 HA THR D 65 -2.755 -3.571 -7.950 1.00 0.00 H new ATOM 0 HB THR D 65 -4.287 -5.466 -9.679 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.786 -5.070 -11.251 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.831 -3.485 -11.078 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.501 -3.372 -9.433 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.047 -2.443 -9.867 1.00 0.00 H new ATOM 989 N PHE D 66 -4.732 -3.484 -6.463 1.00 0.00 N ATOM 990 CA PHE D 66 -5.983 -3.299 -5.755 1.00 0.00 C ATOM 991 C PHE D 66 -6.550 -1.961 -6.132 1.00 0.00 C ATOM 992 O PHE D 66 -5.821 -1.050 -6.507 1.00 0.00 O ATOM 993 CB PHE D 66 -5.818 -3.419 -4.237 1.00 0.00 C ATOM 994 CG PHE D 66 -5.002 -2.338 -3.561 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.699 -2.585 -3.152 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.559 -1.095 -3.283 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.965 -1.612 -2.493 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.831 -0.121 -2.628 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.532 -0.378 -2.232 1.00 0.00 C ATOM 0 H PHE D 66 -4.029 -2.766 -6.286 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.670 -4.093 -6.046 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.810 -3.431 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.357 -4.382 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.251 -3.548 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.575 -0.888 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.951 -1.817 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -5.277 0.842 -2.425 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.961 0.383 -1.720 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.839 -1.831 -6.018 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.477 -0.581 -6.318 1.00 0.00 C ATOM 1011 C ASN D 67 -9.126 -0.088 -5.055 1.00 0.00 C ATOM 1012 O ASN D 67 -9.623 -0.894 -4.292 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.522 -0.764 -7.420 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.943 -1.417 -8.658 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -7.996 -0.912 -9.258 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.512 -2.548 -9.047 1.00 0.00 N ATOM 0 H ASN D 67 -8.470 -2.575 -5.720 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.745 0.143 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.343 -1.372 -7.041 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.940 0.207 -7.686 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.166 -3.035 -9.874 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.296 -2.932 -8.520 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.181 1.214 -4.854 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.861 1.759 -3.685 1.00 0.00 C ATOM 1025 C GLU D 68 -11.336 1.393 -3.734 1.00 0.00 C ATOM 1026 O GLU D 68 -11.985 1.219 -2.702 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.690 3.269 -3.647 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.258 3.727 -3.465 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.792 3.602 -2.037 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -8.412 4.241 -1.162 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.816 2.870 -1.792 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.770 1.911 -5.474 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.424 1.336 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.080 3.691 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.295 3.672 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.606 3.138 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.168 4.765 -3.784 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.812 1.159 -4.955 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.160 0.664 -5.189 1.00 0.00 C ATOM 1040 C LYS D 69 -13.322 -0.648 -4.459 1.00 0.00 C ATOM 1041 O LYS D 69 -14.270 -0.848 -3.698 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.355 0.401 -6.668 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.986 1.578 -7.538 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.294 1.350 -9.021 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.648 0.095 -9.612 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.299 -1.164 -9.151 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.272 1.308 -5.807 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.884 1.400 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.753 -0.460 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.397 0.137 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.525 2.460 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.923 1.788 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.374 1.283 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.958 2.219 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -12.696 0.146 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -11.593 0.073 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -12.669 -1.657 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.195 -0.937 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -13.488 -1.777 -9.970 1.00 0.00 H new ATOM 1060 N SER D 70 -12.288 -1.469 -4.597 1.00 0.00 N ATOM 1061 CA SER D 70 -12.183 -2.690 -3.850 1.00 0.00 C ATOM 1062 C SER D 70 -11.774 -2.331 -2.443 1.00 0.00 C ATOM 1063 O SER D 70 -10.604 -2.068 -2.180 1.00 0.00 O ATOM 1064 CB SER D 70 -11.161 -3.630 -4.476 1.00 0.00 C ATOM 1065 OG SER D 70 -11.216 -4.914 -3.883 1.00 0.00 O ATOM 0 H SER D 70 -11.508 -1.297 -5.231 1.00 0.00 H new ATOM 0 HA SER D 70 -13.141 -3.210 -3.851 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.347 -3.713 -5.547 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.160 -3.214 -4.358 1.00 0.00 H new ATOM 0 HG SER D 70 -11.112 -5.599 -4.576 1.00 0.00 H new ATOM 1071 N THR D 71 -12.778 -2.165 -1.609 1.00 0.00 N ATOM 1072 CA THR D 71 -12.626 -1.657 -0.255 1.00 0.00 C ATOM 1073 C THR D 71 -11.285 -2.025 0.366 1.00 0.00 C ATOM 1074 O THR D 71 -10.961 -3.211 0.482 1.00 0.00 O ATOM 1075 CB THR D 71 -13.755 -2.199 0.588 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.738 -3.617 0.617 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.120 -1.763 0.097 1.00 0.00 C ATOM 0 H THR D 71 -13.744 -2.383 -1.855 1.00 0.00 H new ATOM 0 HA THR D 71 -12.658 -0.568 -0.295 1.00 0.00 H new ATOM 0 HB THR D 71 -13.592 -1.791 1.585 1.00 0.00 H new ATOM 0 HG1 THR D 71 -12.830 -3.937 0.436 1.00 0.00 H new ATOM 0 HG21 THR D 71 -15.891 -2.184 0.743 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.184 -0.675 0.118 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.269 -2.116 -0.923 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.523 -1.009 0.792 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.248 -1.217 1.443 1.00 0.00 C ATOM 1087 C VAL D 72 -9.361 -2.196 2.602 1.00 0.00 C ATOM 1088 O VAL D 72 -8.388 -2.848 2.965 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.591 0.102 1.910 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.422 0.422 0.996 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.581 1.271 1.866 1.00 0.00 C ATOM 0 H VAL D 72 -10.783 -0.028 0.690 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.595 -1.652 0.687 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.259 -0.031 2.940 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -6.952 1.351 1.318 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.693 -0.387 1.040 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.780 0.532 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.084 2.181 2.201 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.938 1.407 0.845 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.426 1.057 2.520 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.594 -2.406 3.052 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.886 -3.428 4.020 1.00 0.00 C ATOM 1103 C GLY D 73 -10.647 -4.823 3.501 1.00 0.00 C ATOM 1104 O GLY D 73 -9.788 -5.541 4.002 1.00 0.00 O ATOM 0 H GLY D 73 -11.407 -1.869 2.751 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.272 -3.267 4.906 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.926 -3.337 4.333 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.437 -5.215 2.509 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.338 -6.555 1.939 1.00 0.00 C ATOM 1110 C ASN D 74 -10.002 -6.746 1.247 1.00 0.00 C ATOM 1111 O ASN D 74 -9.521 -7.862 1.109 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.481 -6.805 0.950 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.460 -8.215 0.394 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.554 -9.186 1.144 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.342 -8.339 -0.919 1.00 0.00 N ATOM 0 H ASN D 74 -12.152 -4.626 2.082 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.415 -7.275 2.754 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.435 -6.627 1.447 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.411 -6.092 0.129 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.326 -9.266 -1.344 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.267 -7.508 -1.505 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.388 -5.647 0.855 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.079 -5.699 0.219 1.00 0.00 C ATOM 1124 C ILE D 75 -6.971 -5.933 1.219 1.00 0.00 C ATOM 1125 O ILE D 75 -6.054 -6.699 0.963 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.820 -4.421 -0.561 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.749 -4.387 -1.778 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.359 -4.295 -0.969 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.516 -5.541 -2.735 1.00 0.00 C ATOM 0 H ILE D 75 -9.770 -4.708 0.964 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.085 -6.546 -0.467 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.033 -3.564 0.078 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.784 -4.408 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.607 -3.447 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.215 -3.368 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.732 -4.285 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.082 -5.141 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.204 -5.461 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.490 -5.508 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.686 -6.484 -2.216 1.00 0.00 H new ATOM 1141 N SER D 76 -7.087 -5.335 2.384 1.00 0.00 N ATOM 1142 CA SER D 76 -6.109 -5.578 3.432 1.00 0.00 C ATOM 1143 C SER D 76 -6.338 -6.938 4.059 1.00 0.00 C ATOM 1144 O SER D 76 -5.389 -7.589 4.487 1.00 0.00 O ATOM 1145 CB SER D 76 -6.140 -4.474 4.474 1.00 0.00 C ATOM 1146 OG SER D 76 -5.270 -4.748 5.560 1.00 0.00 O ATOM 0 H SER D 76 -7.834 -4.686 2.632 1.00 0.00 H new ATOM 0 HA SER D 76 -5.115 -5.574 2.985 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.856 -3.529 4.011 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.158 -4.354 4.845 1.00 0.00 H new ATOM 0 HG SER D 76 -5.754 -4.631 6.404 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.542 -7.463 3.870 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.799 -8.863 4.169 1.00 0.00 C ATOM 1154 C ASN D 77 -6.934 -9.717 3.249 1.00 0.00 C ATOM 1155 O ASN D 77 -6.485 -10.796 3.627 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.281 -9.203 3.966 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.201 -8.506 4.956 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.626 -7.823 5.935 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -11.425 -8.601 4.850 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.347 -6.946 3.515 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.553 -9.063 5.212 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.574 -8.928 2.953 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.414 -10.281 4.054 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.830 -9.136 4.082 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -12.033 -8.145 5.530 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.641 -9.168 2.064 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.756 -9.808 1.091 1.00 0.00 C ATOM 1168 C ASP D 78 -4.282 -9.459 1.298 1.00 0.00 C ATOM 1169 O ASP D 78 -3.412 -10.218 0.891 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.157 -9.445 -0.346 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.414 -10.143 -0.809 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.459 -9.997 -0.157 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.355 -10.833 -1.843 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.011 -8.269 1.756 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.872 -10.880 1.252 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.302 -8.367 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.339 -9.700 -1.020 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.980 -8.279 1.816 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.583 -7.858 1.909 1.00 0.00 C ATOM 1180 C ILE D 79 -1.799 -8.789 2.836 1.00 0.00 C ATOM 1181 O ILE D 79 -0.598 -8.999 2.653 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.427 -6.396 2.406 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.292 -5.443 1.588 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.970 -5.962 2.280 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.848 -5.298 0.151 1.00 0.00 C ATOM 0 H ILE D 79 -4.661 -7.608 2.171 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.181 -7.911 0.897 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.746 -6.360 3.448 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.323 -5.797 1.606 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.283 -4.462 2.062 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.865 -4.935 2.630 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.342 -6.617 2.883 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.661 -6.023 1.236 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.511 -4.605 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -1.828 -4.914 0.122 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.884 -6.270 -0.341 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.497 -9.380 3.798 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.888 -10.319 4.719 1.00 0.00 C ATOM 1199 C ASN D 80 -1.419 -11.577 4.004 1.00 0.00 C ATOM 1200 O ASN D 80 -0.320 -12.064 4.266 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.865 -10.679 5.832 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.148 -9.517 6.761 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.626 -8.469 6.341 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.843 -9.691 8.038 1.00 0.00 N ATOM 0 H ASN D 80 -3.492 -9.221 3.957 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.013 -9.836 5.155 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.801 -11.022 5.391 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.461 -11.510 6.410 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.004 -8.939 8.708 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.447 -10.577 8.352 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.213 -12.073 3.057 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.793 -13.231 2.289 1.00 0.00 C ATOM 1213 C LYS D 81 -0.717 -12.870 1.273 1.00 0.00 C ATOM 1214 O LYS D 81 0.336 -13.503 1.243 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.958 -13.959 1.608 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.973 -13.064 0.934 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.118 -12.736 1.873 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.851 -13.990 2.332 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.379 -14.774 1.182 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.129 -11.698 2.811 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.367 -13.927 3.012 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.552 -14.644 0.864 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.471 -14.566 2.354 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.491 -12.143 0.608 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.360 -13.555 0.041 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.734 -12.201 2.742 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.819 -12.068 1.372 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.174 -14.613 2.917 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.674 -13.710 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.025 -15.511 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.893 -14.141 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.589 -15.219 0.673 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.965 -11.846 0.453 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.001 -11.397 -0.544 1.00 0.00 C ATOM 1235 C LEU D 82 1.401 -11.203 0.033 1.00 0.00 C ATOM 1236 O LEU D 82 2.388 -11.474 -0.650 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.500 -10.124 -1.190 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.540 -10.337 -2.291 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.909 -10.991 -3.508 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.723 -11.171 -1.825 1.00 0.00 C ATOM 0 H LEU D 82 -1.833 -11.311 0.464 1.00 0.00 H new ATOM 0 HA LEU D 82 0.087 -12.181 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.931 -9.485 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.351 -9.587 -1.610 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.914 -9.348 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.667 -11.133 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.115 -10.352 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.492 -11.958 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.430 -11.291 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.372 -12.151 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.216 -10.670 -0.992 1.00 0.00 H new ATOM 1252 N ASN D 83 1.465 -10.845 1.323 1.00 0.00 N ATOM 1253 CA ASN D 83 2.731 -10.727 2.065 1.00 0.00 C ATOM 1254 C ASN D 83 3.801 -10.041 1.216 1.00 0.00 C ATOM 1255 O ASN D 83 4.806 -10.655 0.850 1.00 0.00 O ATOM 1256 CB ASN D 83 3.208 -12.123 2.498 1.00 0.00 C ATOM 1257 CG ASN D 83 4.439 -12.118 3.399 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.893 -10.943 3.816 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 4.967 -13.176 3.737 1.00 0.00 N flip ATOM 0 H ASN D 83 0.641 -10.629 1.883 1.00 0.00 H new ATOM 0 HA ASN D 83 2.560 -10.114 2.950 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.394 -12.626 3.019 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.428 -12.711 1.607 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.594 -14.063 3.399 1.00 0.00 H new ATOM 0 HD22 ASN D 83 5.778 -13.166 4.355 1.00 0.00 H new ATOM 1266 N ILE D 84 3.548 -8.801 0.826 1.00 0.00 N ATOM 1267 CA ILE D 84 4.463 -8.105 -0.061 1.00 0.00 C ATOM 1268 C ILE D 84 5.500 -7.329 0.735 1.00 0.00 C ATOM 1269 O ILE D 84 5.223 -6.251 1.253 1.00 0.00 O ATOM 1270 CB ILE D 84 3.706 -7.158 -1.008 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.608 -7.923 -1.746 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.662 -6.527 -2.009 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.794 -7.057 -2.679 1.00 0.00 C ATOM 0 H ILE D 84 2.728 -8.263 1.106 1.00 0.00 H new ATOM 0 HA ILE D 84 4.974 -8.856 -0.664 1.00 0.00 H new ATOM 0 HB ILE D 84 3.251 -6.365 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE D 84 3.061 -8.733 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.942 -8.382 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.108 -5.860 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.424 -5.959 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.139 -7.309 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.034 -7.665 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.312 -6.262 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.449 -6.618 -3.432 1.00 0.00 H new ATOM 1285 N LYS D 85 6.677 -7.920 0.888 1.00 0.00 N ATOM 1286 CA LYS D 85 7.717 -7.324 1.697 1.00 0.00 C ATOM 1287 C LYS D 85 9.072 -7.547 1.028 1.00 0.00 C ATOM 1288 O LYS D 85 9.697 -8.599 1.186 1.00 0.00 O ATOM 1289 CB LYS D 85 7.661 -7.956 3.094 1.00 0.00 C ATOM 1290 CG LYS D 85 8.428 -7.221 4.181 1.00 0.00 C ATOM 1291 CD LYS D 85 9.931 -7.307 3.997 1.00 0.00 C ATOM 1292 CE LYS D 85 10.668 -6.522 5.070 1.00 0.00 C ATOM 1293 NZ LYS D 85 12.142 -6.590 4.901 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.930 -8.811 0.461 1.00 0.00 H new ATOM 0 HA LYS D 85 7.571 -6.248 1.793 1.00 0.00 H new ATOM 0 HB2 LYS D 85 6.617 -8.029 3.398 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.046 -8.974 3.028 1.00 0.00 H new ATOM 0 HG2 LYS D 85 8.126 -6.174 4.188 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.161 -7.636 5.153 1.00 0.00 H new ATOM 0 HD2 LYS D 85 10.244 -8.351 4.029 1.00 0.00 H new ATOM 0 HD3 LYS D 85 10.201 -6.923 3.013 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.348 -5.480 5.040 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.398 -6.910 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 12.603 -6.041 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 12.452 -7.581 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 12.404 -6.196 3.975 1.00 0.00 H new ATOM 1307 N GLY D 86 9.495 -6.553 0.262 1.00 0.00 N ATOM 1308 CA GLY D 86 10.751 -6.616 -0.466 1.00 0.00 C ATOM 1309 C GLY D 86 10.740 -7.616 -1.604 1.00 0.00 C ATOM 1310 O GLY D 86 10.031 -8.625 -1.559 1.00 0.00 O ATOM 0 H GLY D 86 8.979 -5.683 0.128 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.981 -5.628 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.551 -6.875 0.227 1.00 0.00 H new ATOM 1314 N PRO D 87 11.531 -7.360 -2.651 1.00 0.00 N ATOM 1315 CA PRO D 87 12.387 -6.176 -2.744 1.00 0.00 C ATOM 1316 C PRO D 87 11.684 -4.983 -3.408 1.00 0.00 C ATOM 1317 O PRO D 87 10.510 -5.089 -3.747 1.00 0.00 O ATOM 1318 CB PRO D 87 13.528 -6.698 -3.601 1.00 0.00 C ATOM 1319 CG PRO D 87 12.898 -7.673 -4.535 1.00 0.00 C ATOM 1320 CD PRO D 87 11.660 -8.212 -3.843 1.00 0.00 C ATOM 0 HA PRO D 87 12.691 -5.785 -1.773 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.014 -5.889 -4.145 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.293 -7.176 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.635 -7.191 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.590 -8.481 -4.773 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.780 -8.142 -4.483 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.776 -9.262 -3.575 1.00 0.00 H new ATOM 1328 N TYR D 88 12.427 -3.863 -3.549 1.00 0.00 N ATOM 1329 CA TYR D 88 11.946 -2.583 -4.139 1.00 0.00 C ATOM 1330 C TYR D 88 10.434 -2.504 -4.294 1.00 0.00 C ATOM 1331 O TYR D 88 9.891 -2.929 -5.309 1.00 0.00 O ATOM 1332 CB TYR D 88 12.572 -2.340 -5.520 1.00 0.00 C ATOM 1333 CG TYR D 88 14.076 -2.180 -5.523 1.00 0.00 C ATOM 1334 CD1 TYR D 88 14.908 -3.160 -5.004 1.00 0.00 C ATOM 1335 CD2 TYR D 88 14.661 -1.036 -6.048 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.281 -3.007 -5.010 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.031 -0.874 -6.059 1.00 0.00 C ATOM 1338 CZ TYR D 88 16.837 -1.862 -5.539 1.00 0.00 C ATOM 1339 OH TYR D 88 18.203 -1.709 -5.550 1.00 0.00 O ATOM 0 H TYR D 88 13.401 -3.817 -3.250 1.00 0.00 H new ATOM 0 HA TYR D 88 12.255 -1.818 -3.427 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.309 -3.173 -6.172 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.126 -1.444 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.476 -4.058 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.032 -0.258 -6.455 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.915 -3.780 -4.602 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.469 0.022 -6.473 1.00 0.00 H new ATOM 0 HH TYR D 88 18.432 -0.848 -5.958 1.00 0.00 H new ATOM 1349 N ILE D 89 9.753 -1.952 -3.306 1.00 0.00 N ATOM 1350 CA ILE D 89 8.306 -1.837 -3.374 1.00 0.00 C ATOM 1351 C ILE D 89 7.847 -0.396 -3.538 1.00 0.00 C ATOM 1352 O ILE D 89 8.209 0.484 -2.756 1.00 0.00 O ATOM 1353 CB ILE D 89 7.645 -2.448 -2.128 1.00 0.00 C ATOM 1354 CG1 ILE D 89 7.993 -3.935 -2.027 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.140 -2.292 -2.196 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.395 -4.590 -0.809 1.00 0.00 C ATOM 0 H ILE D 89 10.173 -1.579 -2.454 1.00 0.00 H new ATOM 0 HA ILE D 89 7.994 -2.392 -4.259 1.00 0.00 H new ATOM 0 HB ILE D 89 8.019 -1.923 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.639 -4.448 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.077 -4.050 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.688 -2.730 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE D 89 5.886 -1.233 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE D 89 5.761 -2.800 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE D 89 7.674 -5.643 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE D 89 7.769 -4.098 0.089 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.309 -4.503 -0.845 1.00 0.00 H new ATOM 1368 N GLU D 90 6.939 -0.204 -4.485 1.00 0.00 N ATOM 1369 CA GLU D 90 6.287 1.085 -4.682 1.00 0.00 C ATOM 1370 C GLU D 90 4.774 0.921 -4.583 1.00 0.00 C ATOM 1371 O GLU D 90 4.113 0.600 -5.572 1.00 0.00 O ATOM 1372 CB GLU D 90 6.648 1.679 -6.047 1.00 0.00 C ATOM 1373 CG GLU D 90 8.141 1.870 -6.265 1.00 0.00 C ATOM 1374 CD GLU D 90 8.740 2.877 -5.318 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.311 4.047 -5.347 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.645 2.505 -4.550 1.00 0.00 O1- ATOM 0 H GLU D 90 6.635 -0.930 -5.134 1.00 0.00 H new ATOM 0 HA GLU D 90 6.635 1.765 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.258 1.028 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.150 2.642 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.648 0.913 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.316 2.193 -7.291 1.00 0.00 H new ATOM 1383 N ILE D 91 4.231 1.142 -3.394 1.00 0.00 N ATOM 1384 CA ILE D 91 2.795 1.024 -3.170 1.00 0.00 C ATOM 1385 C ILE D 91 2.177 2.424 -3.289 1.00 0.00 C ATOM 1386 O ILE D 91 2.450 3.306 -2.472 1.00 0.00 O ATOM 1387 CB ILE D 91 2.504 0.420 -1.770 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.467 -0.710 -1.456 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.097 -0.150 -1.685 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.221 -1.336 -0.100 1.00 0.00 C ATOM 0 H ILE D 91 4.765 1.405 -2.566 1.00 0.00 H new ATOM 0 HA ILE D 91 2.358 0.356 -3.912 1.00 0.00 H new ATOM 0 HB ILE D 91 2.619 1.236 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.382 -1.477 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.488 -0.331 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE D 91 0.931 -0.563 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.372 0.641 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE D 91 0.978 -0.937 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE D 91 3.941 -2.137 0.067 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.334 -0.579 0.676 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.210 -1.743 -0.065 1.00 0.00 H new ATOM 1402 N LYS D 92 1.452 2.655 -4.385 1.00 0.00 N ATOM 1403 CA LYS D 92 0.917 3.975 -4.720 1.00 0.00 C ATOM 1404 C LYS D 92 -0.188 3.882 -5.763 1.00 0.00 C ATOM 1405 O LYS D 92 -0.395 2.828 -6.364 1.00 0.00 O ATOM 1406 CB LYS D 92 2.042 4.886 -5.220 1.00 0.00 C ATOM 1407 CG LYS D 92 3.124 4.162 -6.022 1.00 0.00 C ATOM 1408 CD LYS D 92 2.601 3.412 -7.239 1.00 0.00 C ATOM 1409 CE LYS D 92 2.060 4.349 -8.301 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.114 5.246 -8.845 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.219 1.932 -5.065 1.00 0.00 H new ATOM 0 HA LYS D 92 0.484 4.401 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.610 5.671 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS D 92 2.506 5.375 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS D 92 3.866 4.890 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.636 3.457 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.403 2.809 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.814 2.724 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.627 3.765 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.256 4.951 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 2.777 5.683 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.330 5.989 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.973 4.694 -9.040 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.868 4.994 -6.012 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.914 4.999 -7.026 1.00 0.00 C ATOM 1426 C GLN D 93 -1.388 5.311 -8.408 1.00 0.00 C ATOM 1427 O GLN D 93 -0.293 5.838 -8.577 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.070 5.913 -6.688 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.686 7.344 -6.385 1.00 0.00 C ATOM 1430 CD GLN D 93 -2.224 8.135 -7.596 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -2.960 8.280 -8.573 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -1.007 8.655 -7.536 1.00 0.00 N ATOM 0 H GLN D 93 -0.719 5.885 -5.538 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.295 3.978 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.772 5.910 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.597 5.504 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -3.541 7.851 -5.939 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.891 7.345 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -0.431 8.510 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -0.646 9.200 -8.319 1.00 0.00 H new ATOM 1441 N ILE D 94 -2.145 4.868 -9.387 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.757 4.946 -10.777 1.00 0.00 C ATOM 1443 C ILE D 94 -2.913 5.436 -11.640 1.00 0.00 C ATOM 1444 O ILE D 94 -4.051 5.473 -11.136 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.320 3.562 -11.235 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.396 2.566 -10.832 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.028 3.179 -10.649 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.009 1.131 -11.018 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.673 5.791 -12.807 1.00 0.00 O ATOM 0 H ILE D 94 -3.058 4.438 -9.238 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.937 5.657 -10.882 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.198 3.559 -12.318 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.651 2.728 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.296 2.766 -11.414 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.307 2.185 -10.998 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.781 3.900 -10.967 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.036 3.177 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.833 0.489 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.783 0.948 -12.069 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.129 0.910 -10.414 1.00 0.00 H new