USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=31 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= -0.236 F(o=-4.7!,f=-0.44) USER MOD Set 1.2: D 67 ASN : amide:sc= -0.202 K(o=-0.44,f=-1.7) USER MOD Set 2.1: D 22 LYS NZ :NH3+ 166:sc= -3.02! (180deg=-3.71!) USER MOD Set 2.2: D 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0735) USER MOD Set 2.3: D 93 GLN : amide:sc= 0 K(o=-3,f=-4.1) USER MOD Set 3.1: D 31 MET CE :methyl 160:sc= -0.236 (180deg=-0.973) USER MOD Set 3.2: D 85 LYS NZ :NH3+ 176:sc= 1.36 (180deg=1.32) USER MOD Single : D 14 ASN :FLIP amide:sc=-0.00875 F(o=-2!,f=-0.0088) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 17 ASN :FLIP amide:sc= -1.07 F(o=-4.6!,f=-1.1) USER MOD Single : D 19 LYS NZ :NH3+ 163:sc= -0.517 (180deg=-0.969) USER MOD Single : D 21 ASN :FLIP amide:sc= -0.171 F(o=-1.8,f=-0.17) 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 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= -1.04 USER MOD Single : D 32 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : D 34 ASN :FLIP amide:sc=-0.00554 F(o=-1.9!,f=-0.0055) USER MOD Single : D 35 GLN : amide:sc= -1.28 K(o=-1.3,f=-6!) USER MOD Single : D 37 LYS NZ :NH3+ 170:sc= -0.192 (180deg=-0.371) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.04! USER MOD Single : D 40 SER OG : rot 35:sc= -2.85! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.014) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.0885 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 59 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.8!) USER MOD Single : D 62 LYS NZ :NH3+ -109:sc= -1.48 (180deg=-3.99!) USER MOD Single : D 64 TYR OH : rot 30:sc= 0 USER MOD Single : D 65 THR OG1 : rot -160:sc= -0.582 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 71 THR OG1 : rot 180:sc= 0 USER MOD Single : D 74 ASN : amide:sc= -0.244 K(o=-0.24,f=-1!) USER MOD Single : D 76 SER OG : rot -170:sc=-0.00165 USER MOD Single : D 77 ASN :FLIP amide:sc= -1.6 F(o=-2.5!,f=-1.6) USER MOD Single : D 80 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.073) USER MOD Single : D 81 LYS NZ :NH3+ 158:sc= -3.69! (180deg=-5.17!) USER MOD Single : D 83 ASN :FLIP amide:sc= -0.143 F(o=-1.7,f=-0.14) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -165:sc= 2.37 (180deg=2.03) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.798 3.627 2.906 1.00 0.00 N ATOM 185 CA ILE D 13 5.945 2.921 3.842 1.00 0.00 C ATOM 186 C ILE D 13 5.233 3.897 4.777 1.00 0.00 C ATOM 187 O ILE D 13 4.310 3.537 5.511 1.00 0.00 O ATOM 188 CB ILE D 13 6.817 1.932 4.629 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.540 1.037 3.641 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.001 1.099 5.610 1.00 0.00 C ATOM 191 CD1 ILE D 13 6.620 0.140 2.839 1.00 0.00 C ATOM 0 HA ILE D 13 5.168 2.379 3.303 1.00 0.00 H new ATOM 0 HB ILE D 13 7.535 2.496 5.225 1.00 0.00 H new ATOM 0 HG12 ILE D 13 8.114 1.659 2.954 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.255 0.417 4.183 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.661 0.415 6.143 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.508 1.758 6.325 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.250 0.528 5.065 1.00 0.00 H new ATOM 0 HD11 ILE D 13 7.211 -0.469 2.155 1.00 0.00 H new ATOM 0 HD12 ILE D 13 6.064 -0.509 3.516 1.00 0.00 H new ATOM 0 HD13 ILE D 13 5.922 0.752 2.268 1.00 0.00 H new ATOM 203 N ASN D 14 5.633 5.150 4.705 1.00 0.00 N ATOM 204 CA ASN D 14 4.985 6.194 5.505 1.00 0.00 C ATOM 205 C ASN D 14 3.892 6.924 4.721 1.00 0.00 C ATOM 206 O ASN D 14 2.715 6.890 5.102 1.00 0.00 O ATOM 207 CB ASN D 14 5.995 7.205 6.049 1.00 0.00 C ATOM 208 CG ASN D 14 6.935 6.618 7.086 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.771 5.340 7.395 1.00 0.00 O flip ATOM 210 ND2 ASN D 14 7.799 7.317 7.612 1.00 0.00 N flip ATOM 0 H ASN D 14 6.394 5.478 4.111 1.00 0.00 H new ATOM 0 HA ASN D 14 4.519 5.683 6.347 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.582 7.603 5.221 1.00 0.00 H new ATOM 0 HB3 ASN D 14 5.457 8.044 6.490 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.893 8.297 7.347 1.00 0.00 H new ATOM 0 HD22 ASN D 14 8.422 6.917 8.314 1.00 0.00 H new ATOM 217 N SER D 15 4.269 7.599 3.636 1.00 0.00 N ATOM 218 CA SER D 15 3.301 8.340 2.841 1.00 0.00 C ATOM 219 C SER D 15 2.297 7.394 2.207 1.00 0.00 C ATOM 220 O SER D 15 1.186 7.801 1.895 1.00 0.00 O ATOM 221 CB SER D 15 3.970 9.192 1.756 1.00 0.00 C ATOM 222 OG SER D 15 4.612 8.392 0.775 1.00 0.00 O ATOM 0 H SER D 15 5.228 7.646 3.293 1.00 0.00 H new ATOM 0 HA SER D 15 2.784 9.017 3.521 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.221 9.823 1.277 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.700 9.858 2.216 1.00 0.00 H new ATOM 0 HG SER D 15 5.025 8.970 0.100 1.00 0.00 H new ATOM 228 N VAL D 16 2.669 6.112 2.078 1.00 0.00 N ATOM 229 CA VAL D 16 1.763 5.095 1.547 1.00 0.00 C ATOM 230 C VAL D 16 0.447 5.109 2.314 1.00 0.00 C ATOM 231 O VAL D 16 -0.623 4.947 1.734 1.00 0.00 O ATOM 232 CB VAL D 16 2.377 3.668 1.622 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.609 3.238 3.052 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.502 2.648 0.916 1.00 0.00 C ATOM 0 H VAL D 16 3.591 5.760 2.335 1.00 0.00 H new ATOM 0 HA VAL D 16 1.590 5.339 0.499 1.00 0.00 H new ATOM 0 HB VAL D 16 3.339 3.714 1.112 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.039 2.236 3.066 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.295 3.934 3.534 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.660 3.233 3.589 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.962 1.662 0.988 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.519 2.625 1.385 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.397 2.923 -0.133 1.00 0.00 H new ATOM 244 N ASN D 17 0.542 5.368 3.614 1.00 0.00 N ATOM 245 CA ASN D 17 -0.633 5.460 4.460 1.00 0.00 C ATOM 246 C ASN D 17 -1.430 6.688 4.095 1.00 0.00 C ATOM 247 O ASN D 17 -2.639 6.650 4.071 1.00 0.00 O ATOM 248 CB ASN D 17 -0.246 5.528 5.944 1.00 0.00 C ATOM 249 CG ASN D 17 0.496 4.299 6.440 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.665 3.305 5.582 1.00 0.00 O flip ATOM 251 ND2 ASN D 17 0.903 4.240 7.598 1.00 0.00 N flip ATOM 0 H ASN D 17 1.425 5.518 4.102 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.234 4.565 4.300 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.376 6.408 6.108 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.149 5.661 6.540 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.755 5.026 8.231 1.00 0.00 H new ATOM 0 HD22 ASN D 17 1.389 3.405 7.926 1.00 0.00 H new ATOM 258 N ASP D 18 -0.737 7.786 3.853 1.00 0.00 N ATOM 259 CA ASP D 18 -1.372 9.058 3.542 1.00 0.00 C ATOM 260 C ASP D 18 -2.278 9.021 2.301 1.00 0.00 C ATOM 261 O ASP D 18 -3.182 9.846 2.177 1.00 0.00 O ATOM 262 CB ASP D 18 -0.298 10.116 3.339 1.00 0.00 C ATOM 263 CG ASP D 18 0.454 10.451 4.604 1.00 0.00 C ATOM 264 OD1 ASP D 18 -0.184 10.900 5.574 1.00 0.00 O ATOM 265 OD2 ASP D 18 1.684 10.268 4.629 1.00 0.00 O1- ATOM 0 H ASP D 18 0.282 7.823 3.866 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.016 9.294 4.389 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.408 9.767 2.586 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.760 11.023 2.948 1.00 0.00 H new ATOM 270 N LYS D 19 -2.142 7.999 1.463 1.00 0.00 N ATOM 271 CA LYS D 19 -3.085 7.817 0.354 1.00 0.00 C ATOM 272 C LYS D 19 -4.191 6.932 0.810 1.00 0.00 C ATOM 273 O LYS D 19 -5.356 7.235 0.647 1.00 0.00 O ATOM 274 CB LYS D 19 -2.466 7.183 -0.893 1.00 0.00 C ATOM 275 CG LYS D 19 -1.454 8.059 -1.632 1.00 0.00 C ATOM 276 CD LYS D 19 -0.176 8.294 -0.855 1.00 0.00 C ATOM 277 CE LYS D 19 0.654 7.029 -0.757 1.00 0.00 C ATOM 278 NZ LYS D 19 1.110 6.547 -2.086 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.406 7.295 1.523 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.428 8.814 0.076 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -1.976 6.254 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.267 6.919 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.209 7.591 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.915 9.021 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.407 9.077 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.418 8.651 0.146 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.521 7.215 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS D 19 0.067 6.249 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 1.891 5.872 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.321 6.077 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.438 7.354 -2.654 1.00 0.00 H new ATOM 292 N LEU D 20 -3.789 5.806 1.335 1.00 0.00 N ATOM 293 CA LEU D 20 -4.704 4.794 1.780 1.00 0.00 C ATOM 294 C LEU D 20 -5.664 5.354 2.825 1.00 0.00 C ATOM 295 O LEU D 20 -6.835 4.989 2.888 1.00 0.00 O ATOM 296 CB LEU D 20 -3.887 3.675 2.376 1.00 0.00 C ATOM 297 CG LEU D 20 -2.833 3.090 1.438 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.045 1.999 2.127 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.480 2.561 0.169 1.00 0.00 C ATOM 0 H LEU D 20 -2.807 5.565 1.466 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.302 4.435 0.943 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.391 4.043 3.274 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.561 2.877 2.688 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.142 3.888 1.165 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.301 1.598 1.439 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.545 2.410 3.004 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.721 1.201 2.436 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.713 2.149 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.197 1.781 0.424 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -3.995 3.374 -0.343 1.00 0.00 H new ATOM 311 N ASN D 21 -5.138 6.259 3.633 1.00 0.00 N ATOM 312 CA ASN D 21 -5.893 6.921 4.678 1.00 0.00 C ATOM 313 C ASN D 21 -6.782 8.012 4.078 1.00 0.00 C ATOM 314 O ASN D 21 -6.283 9.072 3.706 1.00 0.00 O ATOM 315 CB ASN D 21 -4.931 7.549 5.703 1.00 0.00 C ATOM 316 CG ASN D 21 -4.220 6.535 6.591 1.00 0.00 C ATOM 317 OD1 ASN D 21 -4.380 5.249 6.308 1.00 0.00 O flip ATOM 318 ND2 ASN D 21 -3.496 6.911 7.513 1.00 0.00 N flip ATOM 0 H ASN D 21 -4.164 6.557 3.579 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.521 6.182 5.176 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.183 8.137 5.171 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.490 8.240 6.334 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.393 7.907 7.707 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.999 6.226 8.083 1.00 0.00 H new ATOM 325 N LYS D 22 -8.058 7.710 3.835 1.00 0.00 N ATOM 326 CA LYS D 22 -8.908 8.659 3.105 1.00 0.00 C ATOM 327 C LYS D 22 -10.154 9.115 3.861 1.00 0.00 C ATOM 328 O LYS D 22 -10.507 10.291 3.795 1.00 0.00 O ATOM 329 CB LYS D 22 -9.266 8.090 1.735 1.00 0.00 C ATOM 330 CG LYS D 22 -8.101 8.185 0.766 1.00 0.00 C ATOM 331 CD LYS D 22 -8.304 7.355 -0.484 1.00 0.00 C ATOM 332 CE LYS D 22 -7.195 7.608 -1.491 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.307 6.728 -2.680 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.517 6.845 4.121 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.315 9.566 2.986 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.567 7.048 1.841 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.122 8.629 1.329 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.954 9.228 0.484 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.190 7.859 1.268 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.328 6.297 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.268 7.595 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -7.225 8.650 -1.808 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -6.229 7.448 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.689 7.086 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.019 5.762 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.292 6.719 -3.013 1.00 0.00 H new ATOM 347 N GLY D 23 -10.832 8.218 4.558 1.00 0.00 N ATOM 348 CA GLY D 23 -12.019 8.622 5.270 1.00 0.00 C ATOM 349 C GLY D 23 -12.942 7.474 5.591 1.00 0.00 C ATOM 350 O GLY D 23 -12.812 6.863 6.652 1.00 0.00 O ATOM 0 H GLY D 23 -10.585 7.232 4.642 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.728 9.115 6.197 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.559 9.358 4.674 1.00 0.00 H new ATOM 354 N LYS D 24 -13.856 7.167 4.665 1.00 0.00 N ATOM 355 CA LYS D 24 -14.796 6.053 4.830 1.00 0.00 C ATOM 356 C LYS D 24 -14.020 4.815 5.226 1.00 0.00 C ATOM 357 O LYS D 24 -14.237 4.228 6.279 1.00 0.00 O ATOM 358 CB LYS D 24 -15.518 5.782 3.510 1.00 0.00 C ATOM 359 CG LYS D 24 -16.700 4.830 3.600 1.00 0.00 C ATOM 360 CD LYS D 24 -17.832 5.439 4.403 1.00 0.00 C ATOM 361 CE LYS D 24 -19.099 4.607 4.309 1.00 0.00 C ATOM 362 NZ LYS D 24 -20.209 5.213 5.092 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.965 7.677 3.789 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.528 6.306 5.597 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.867 6.731 3.104 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.799 5.376 2.798 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -17.051 4.586 2.597 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.384 3.895 4.063 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.531 5.527 5.447 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.032 6.448 4.043 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.398 4.514 3.265 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -18.902 3.599 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -21.059 4.620 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.933 5.279 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.413 6.165 4.726 1.00 0.00 H new ATOM 376 N GLY D 25 -13.034 4.511 4.410 1.00 0.00 N ATOM 377 CA GLY D 25 -12.122 3.448 4.694 1.00 0.00 C ATOM 378 C GLY D 25 -10.722 3.836 4.340 1.00 0.00 C ATOM 379 O GLY D 25 -10.492 4.837 3.660 1.00 0.00 O ATOM 0 H GLY D 25 -12.850 5.000 3.534 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.176 3.191 5.752 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.409 2.558 4.134 1.00 0.00 H new ATOM 383 N LYS D 26 -9.804 3.181 4.990 1.00 0.00 N ATOM 384 CA LYS D 26 -8.421 3.566 4.961 1.00 0.00 C ATOM 385 C LYS D 26 -7.540 2.353 5.126 1.00 0.00 C ATOM 386 O LYS D 26 -8.013 1.299 5.539 1.00 0.00 O ATOM 387 CB LYS D 26 -8.217 4.554 6.068 1.00 0.00 C ATOM 388 CG LYS D 26 -9.049 4.177 7.254 1.00 0.00 C ATOM 389 CD LYS D 26 -9.161 5.316 8.245 1.00 0.00 C ATOM 390 CE LYS D 26 -9.797 6.534 7.593 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.108 7.607 8.575 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.995 2.357 5.560 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.154 4.020 4.006 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.164 4.586 6.348 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.487 5.554 5.728 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.045 3.885 6.922 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.610 3.309 7.746 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.758 5.002 9.101 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.172 5.574 8.623 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.124 6.927 6.831 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.713 6.234 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.539 8.415 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.771 7.243 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.231 7.915 9.042 1.00 0.00 H new ATOM 405 N LEU D 27 -6.292 2.472 4.741 1.00 0.00 N ATOM 406 CA LEU D 27 -5.393 1.341 4.785 1.00 0.00 C ATOM 407 C LEU D 27 -4.035 1.715 5.371 1.00 0.00 C ATOM 408 O LEU D 27 -3.564 2.837 5.217 1.00 0.00 O ATOM 409 CB LEU D 27 -5.256 0.779 3.388 1.00 0.00 C ATOM 410 CG LEU D 27 -4.211 -0.310 3.208 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.522 -1.517 4.080 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.125 -0.721 1.748 1.00 0.00 C ATOM 0 H LEU D 27 -5.876 3.336 4.395 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.809 0.581 5.446 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.223 0.381 3.081 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.019 1.599 2.710 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.246 0.091 3.519 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.758 -2.280 3.931 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.534 -1.216 5.127 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.497 -1.921 3.807 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.373 -1.501 1.633 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -5.093 -1.099 1.419 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.847 0.142 1.143 1.00 0.00 H new ATOM 424 N SER D 28 -3.418 0.770 6.060 1.00 0.00 N ATOM 425 CA SER D 28 -2.129 0.989 6.683 1.00 0.00 C ATOM 426 C SER D 28 -1.267 -0.242 6.509 1.00 0.00 C ATOM 427 O SER D 28 -1.788 -1.353 6.412 1.00 0.00 O ATOM 428 CB SER D 28 -2.303 1.256 8.175 1.00 0.00 C ATOM 429 OG SER D 28 -1.076 1.646 8.776 1.00 0.00 O ATOM 0 H SER D 28 -3.797 -0.166 6.201 1.00 0.00 H new ATOM 0 HA SER D 28 -1.656 1.850 6.211 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.047 2.038 8.322 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.682 0.359 8.665 1.00 0.00 H new ATOM 0 HG SER D 28 -1.218 1.812 9.731 1.00 0.00 H new ATOM 435 N LEU D 29 0.046 -0.067 6.508 1.00 0.00 N ATOM 436 CA LEU D 29 0.935 -1.203 6.390 1.00 0.00 C ATOM 437 C LEU D 29 2.154 -1.033 7.282 1.00 0.00 C ATOM 438 O LEU D 29 2.823 0.002 7.259 1.00 0.00 O ATOM 439 CB LEU D 29 1.379 -1.413 4.945 1.00 0.00 C ATOM 440 CG LEU D 29 0.360 -0.987 3.887 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.561 0.469 3.523 1.00 0.00 C ATOM 442 CD2 LEU D 29 0.437 -1.877 2.658 1.00 0.00 C ATOM 0 H LEU D 29 0.510 0.838 6.586 1.00 0.00 H new ATOM 0 HA LEU D 29 0.380 -2.084 6.713 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.304 -0.860 4.781 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.610 -2.469 4.801 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.639 -1.101 4.307 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.170 0.760 2.769 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.432 1.087 4.411 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.566 0.609 3.126 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.299 -1.549 1.924 1.00 0.00 H new ATOM 0 HD22 LEU D 29 1.435 -1.813 2.224 1.00 0.00 H new ATOM 0 HD23 LEU D 29 0.231 -2.909 2.942 1.00 0.00 H new ATOM 454 N SER D 30 2.478 -2.092 7.993 1.00 0.00 N ATOM 455 CA SER D 30 3.660 -2.150 8.824 1.00 0.00 C ATOM 456 C SER D 30 4.374 -3.471 8.567 1.00 0.00 C ATOM 457 O SER D 30 4.045 -4.174 7.609 1.00 0.00 O ATOM 458 CB SER D 30 3.277 -1.997 10.301 1.00 0.00 C ATOM 459 OG SER D 30 2.308 -2.960 10.686 1.00 0.00 O ATOM 0 H SER D 30 1.921 -2.946 8.010 1.00 0.00 H new ATOM 0 HA SER D 30 4.335 -1.330 8.576 1.00 0.00 H new ATOM 0 HB2 SER D 30 4.166 -2.105 10.922 1.00 0.00 H new ATOM 0 HB3 SER D 30 2.886 -0.995 10.475 1.00 0.00 H new ATOM 0 HG SER D 30 2.085 -2.839 11.633 1.00 0.00 H new ATOM 465 N MET D 31 5.381 -3.785 9.359 1.00 0.00 N ATOM 466 CA MET D 31 6.158 -4.994 9.128 1.00 0.00 C ATOM 467 C MET D 31 6.688 -5.567 10.423 1.00 0.00 C ATOM 468 O MET D 31 6.705 -4.902 11.459 1.00 0.00 O ATOM 469 CB MET D 31 7.308 -4.696 8.163 1.00 0.00 C ATOM 470 CG MET D 31 8.248 -3.605 8.653 1.00 0.00 C ATOM 471 SD MET D 31 9.513 -3.187 7.444 1.00 0.00 S ATOM 472 CE MET D 31 8.501 -2.609 6.083 1.00 0.00 C ATOM 0 H MET D 31 5.680 -3.229 10.160 1.00 0.00 H new ATOM 0 HA MET D 31 5.501 -5.741 8.683 1.00 0.00 H new ATOM 0 HB2 MET D 31 7.880 -5.610 7.999 1.00 0.00 H new ATOM 0 HB3 MET D 31 6.895 -4.401 7.198 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.670 -2.712 8.892 1.00 0.00 H new ATOM 0 HG3 MET D 31 8.727 -3.931 9.576 1.00 0.00 H new ATOM 0 HE1 MET D 31 9.106 -1.996 5.415 1.00 0.00 H new ATOM 0 HE2 MET D 31 8.107 -3.464 5.534 1.00 0.00 H new ATOM 0 HE3 MET D 31 7.674 -2.015 6.471 1.00 0.00 H new ATOM 482 N ASN D 32 7.153 -6.796 10.334 1.00 0.00 N ATOM 483 CA ASN D 32 7.742 -7.484 11.465 1.00 0.00 C ATOM 484 C ASN D 32 8.878 -8.356 10.959 1.00 0.00 C ATOM 485 O ASN D 32 8.651 -9.478 10.506 1.00 0.00 O ATOM 486 CB ASN D 32 6.678 -8.334 12.177 1.00 0.00 C ATOM 487 CG ASN D 32 7.205 -8.992 13.442 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.109 -9.828 13.396 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.653 -8.607 14.582 1.00 0.00 N ATOM 0 H ASN D 32 7.133 -7.347 9.476 1.00 0.00 H new ATOM 0 HA ASN D 32 8.130 -6.763 12.184 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.824 -7.705 12.428 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.317 -9.104 11.495 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.974 -9.005 15.464 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.907 -7.912 14.578 1.00 0.00 H new ATOM 496 N GLY D 33 10.068 -7.775 10.879 1.00 0.00 N ATOM 497 CA GLY D 33 11.178 -8.465 10.239 1.00 0.00 C ATOM 498 C GLY D 33 10.956 -8.593 8.743 1.00 0.00 C ATOM 499 O GLY D 33 10.957 -7.596 8.020 1.00 0.00 O ATOM 0 H GLY D 33 10.287 -6.847 11.241 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.104 -7.922 10.427 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.295 -9.456 10.678 1.00 0.00 H new ATOM 503 N ASN D 34 10.683 -9.811 8.287 1.00 0.00 N ATOM 504 CA ASN D 34 10.367 -10.049 6.879 1.00 0.00 C ATOM 505 C ASN D 34 8.861 -10.183 6.675 1.00 0.00 C ATOM 506 O ASN D 34 8.403 -10.579 5.606 1.00 0.00 O ATOM 507 CB ASN D 34 11.065 -11.315 6.367 1.00 0.00 C ATOM 508 CG ASN D 34 12.579 -11.207 6.343 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.108 -10.032 6.663 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 13.273 -12.172 6.017 1.00 0.00 N flip ATOM 0 H ASN D 34 10.674 -10.649 8.869 1.00 0.00 H new ATOM 0 HA ASN D 34 10.728 -9.191 6.313 1.00 0.00 H new ATOM 0 HB2 ASN D 34 10.779 -12.157 6.997 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.709 -11.534 5.360 1.00 0.00 H new ATOM 0 HD21 ASN D 34 12.832 -13.060 5.778 1.00 0.00 H new ATOM 0 HD22 ASN D 34 14.289 -12.083 5.987 1.00 0.00 H new ATOM 517 N GLN D 35 8.093 -9.868 7.712 1.00 0.00 N ATOM 518 CA GLN D 35 6.641 -9.976 7.638 1.00 0.00 C ATOM 519 C GLN D 35 6.034 -8.666 7.166 1.00 0.00 C ATOM 520 O GLN D 35 6.622 -7.600 7.340 1.00 0.00 O ATOM 521 CB GLN D 35 6.054 -10.336 9.001 1.00 0.00 C ATOM 522 CG GLN D 35 4.570 -10.688 8.971 1.00 0.00 C ATOM 523 CD GLN D 35 4.246 -11.853 8.053 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.502 -11.801 6.849 1.00 0.00 O ATOM 525 NE2 GLN D 35 3.667 -12.902 8.613 1.00 0.00 N ATOM 0 H GLN D 35 8.449 -9.538 8.609 1.00 0.00 H new ATOM 0 HA GLN D 35 6.402 -10.765 6.925 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.608 -11.181 9.411 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.203 -9.497 9.681 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.241 -10.929 9.982 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.003 -9.814 8.651 1.00 0.00 H new ATOM 0 HE21 GLN D 35 3.473 -12.903 9.614 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.415 -13.710 8.044 1.00 0.00 H new ATOM 534 N LEU D 36 4.827 -8.750 6.638 1.00 0.00 N ATOM 535 CA LEU D 36 4.088 -7.580 6.207 1.00 0.00 C ATOM 536 C LEU D 36 2.735 -7.553 6.889 1.00 0.00 C ATOM 537 O LEU D 36 2.138 -8.598 7.146 1.00 0.00 O ATOM 538 CB LEU D 36 3.995 -7.606 4.681 1.00 0.00 C ATOM 539 CG LEU D 36 3.170 -6.517 3.966 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.680 -6.725 4.168 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.565 -5.124 4.428 1.00 0.00 C ATOM 0 H LEU D 36 4.332 -9.631 6.496 1.00 0.00 H new ATOM 0 HA LEU D 36 4.595 -6.659 6.493 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.011 -7.561 4.288 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.584 -8.573 4.392 1.00 0.00 H new ATOM 0 HG LEU D 36 3.390 -6.604 2.902 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.129 -5.939 3.650 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.390 -7.696 3.766 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.449 -6.689 5.233 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.963 -4.382 3.903 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.396 -5.035 5.501 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.620 -4.954 4.212 1.00 0.00 H new ATOM 553 N LYS D 37 2.348 -6.371 7.337 1.00 0.00 N ATOM 554 CA LYS D 37 1.174 -6.217 8.176 1.00 0.00 C ATOM 555 C LYS D 37 0.271 -5.105 7.651 1.00 0.00 C ATOM 556 O LYS D 37 0.659 -3.943 7.665 1.00 0.00 O ATOM 557 CB LYS D 37 1.635 -5.859 9.584 1.00 0.00 C ATOM 558 CG LYS D 37 2.611 -6.859 10.174 1.00 0.00 C ATOM 559 CD LYS D 37 1.936 -8.190 10.445 1.00 0.00 C ATOM 560 CE LYS D 37 2.817 -9.106 11.262 1.00 0.00 C ATOM 561 NZ LYS D 37 3.101 -8.563 12.620 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.834 -5.498 7.131 1.00 0.00 H new ATOM 0 HA LYS D 37 0.609 -7.149 8.174 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.103 -4.875 9.565 1.00 0.00 H new ATOM 0 HB3 LYS D 37 0.764 -5.786 10.235 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.446 -7.005 9.488 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.025 -6.463 11.101 1.00 0.00 H new ATOM 0 HD2 LYS D 37 0.997 -8.021 10.973 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.688 -8.672 9.499 1.00 0.00 H new ATOM 0 HE2 LYS D 37 2.335 -10.079 11.357 1.00 0.00 H new ATOM 0 HE3 LYS D 37 3.757 -9.266 10.734 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 3.562 -9.295 13.197 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 3.730 -7.738 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.210 -8.276 13.072 1.00 0.00 H new ATOM 575 N ALA D 38 -0.934 -5.429 7.216 1.00 0.00 N ATOM 576 CA ALA D 38 -1.840 -4.393 6.732 1.00 0.00 C ATOM 577 C ALA D 38 -3.071 -4.264 7.606 1.00 0.00 C ATOM 578 O ALA D 38 -3.495 -5.218 8.262 1.00 0.00 O ATOM 579 CB ALA D 38 -2.237 -4.666 5.297 1.00 0.00 C ATOM 0 H ALA D 38 -1.306 -6.378 7.186 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.305 -3.444 6.778 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.913 -3.884 4.951 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.346 -4.679 4.669 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.738 -5.632 5.236 1.00 0.00 H new ATOM 585 N THR D 39 -3.625 -3.059 7.610 1.00 0.00 N ATOM 586 CA THR D 39 -4.801 -2.735 8.400 1.00 0.00 C ATOM 587 C THR D 39 -5.686 -1.719 7.679 1.00 0.00 C ATOM 588 O THR D 39 -5.223 -0.658 7.285 1.00 0.00 O ATOM 589 CB THR D 39 -4.379 -2.184 9.767 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.368 -1.202 9.621 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.867 -3.234 10.727 1.00 0.00 C ATOM 0 H THR D 39 -3.268 -2.276 7.062 1.00 0.00 H new ATOM 0 HA THR D 39 -5.378 -3.649 8.541 1.00 0.00 H new ATOM 0 HB THR D 39 -5.290 -1.761 10.189 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.113 -0.861 10.504 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.590 -2.761 11.669 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.647 -3.973 10.907 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.994 -3.725 10.297 1.00 0.00 H new ATOM 599 N SER D 40 -6.979 -1.969 7.682 1.00 0.00 N ATOM 600 CA SER D 40 -7.954 -0.996 7.214 1.00 0.00 C ATOM 601 C SER D 40 -8.705 -0.468 8.403 1.00 0.00 C ATOM 602 O SER D 40 -9.169 -1.242 9.241 1.00 0.00 O ATOM 603 CB SER D 40 -8.934 -1.633 6.252 1.00 0.00 C ATOM 604 OG SER D 40 -9.500 -2.810 6.809 1.00 0.00 O ATOM 0 H SER D 40 -7.386 -2.846 8.006 1.00 0.00 H new ATOM 0 HA SER D 40 -7.434 -0.192 6.693 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.725 -0.924 6.010 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.427 -1.875 5.318 1.00 0.00 H new ATOM 0 HG SER D 40 -9.613 -2.693 7.775 1.00 0.00 H new ATOM 610 N SER D 41 -8.866 0.825 8.475 1.00 0.00 N ATOM 611 CA SER D 41 -9.620 1.377 9.580 1.00 0.00 C ATOM 612 C SER D 41 -11.063 1.588 9.146 1.00 0.00 C ATOM 613 O SER D 41 -11.336 1.688 7.944 1.00 0.00 O ATOM 614 CB SER D 41 -8.985 2.664 10.105 1.00 0.00 C ATOM 615 OG SER D 41 -9.681 3.163 11.234 1.00 0.00 O ATOM 0 H SER D 41 -8.500 1.503 7.807 1.00 0.00 H new ATOM 0 HA SER D 41 -9.606 0.671 10.410 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.945 2.476 10.371 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.981 3.417 9.317 1.00 0.00 H new ATOM 0 HG SER D 41 -9.250 3.985 11.547 1.00 0.00 H new ATOM 621 N ASN D 42 -11.974 1.419 10.110 1.00 0.00 N ATOM 622 CA ASN D 42 -13.420 1.337 9.857 1.00 0.00 C ATOM 623 C ASN D 42 -13.794 -0.067 9.387 1.00 0.00 C ATOM 624 O ASN D 42 -14.970 -0.429 9.374 1.00 0.00 O ATOM 625 CB ASN D 42 -13.905 2.401 8.866 1.00 0.00 C ATOM 626 CG ASN D 42 -13.716 3.805 9.406 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.283 4.165 10.439 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.912 4.603 8.722 1.00 0.00 N ATOM 0 H ASN D 42 -11.729 1.334 11.096 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.929 1.541 10.799 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.361 2.297 7.927 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.959 2.236 8.644 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.742 5.555 9.046 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.462 4.266 7.871 1.00 0.00 H new ATOM 635 N ALA D 43 -12.766 -0.910 9.234 1.00 0.00 N ATOM 636 CA ALA D 43 -12.936 -2.354 9.040 1.00 0.00 C ATOM 637 C ALA D 43 -13.831 -2.732 7.855 1.00 0.00 C ATOM 638 O ALA D 43 -14.791 -3.485 8.034 1.00 0.00 O ATOM 639 CB ALA D 43 -13.478 -2.991 10.311 1.00 0.00 C ATOM 0 H ALA D 43 -11.791 -0.609 9.241 1.00 0.00 H new ATOM 0 HA ALA D 43 -11.943 -2.738 8.806 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.601 -4.063 10.157 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -12.780 -2.820 11.130 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.442 -2.547 10.558 1.00 0.00 H new ATOM 645 N GLY D 44 -13.436 -2.381 6.634 1.00 0.00 N ATOM 646 CA GLY D 44 -14.157 -2.905 5.500 1.00 0.00 C ATOM 647 C GLY D 44 -14.682 -1.868 4.546 1.00 0.00 C ATOM 648 O GLY D 44 -15.349 -2.202 3.576 1.00 0.00 O ATOM 0 H GLY D 44 -12.654 -1.763 6.418 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.501 -3.582 4.952 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.995 -3.499 5.864 1.00 0.00 H new ATOM 652 N TYR D 45 -14.458 -0.622 4.858 1.00 0.00 N ATOM 653 CA TYR D 45 -14.988 0.471 4.050 1.00 0.00 C ATOM 654 C TYR D 45 -13.999 0.863 2.950 1.00 0.00 C ATOM 655 O TYR D 45 -12.784 0.773 3.137 1.00 0.00 O ATOM 656 CB TYR D 45 -15.301 1.687 4.931 1.00 0.00 C ATOM 657 CG TYR D 45 -16.400 1.467 5.968 1.00 0.00 C ATOM 658 CD1 TYR D 45 -16.663 0.203 6.484 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.162 2.531 6.450 1.00 0.00 C ATOM 660 CE1 TYR D 45 -17.642 0.001 7.431 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.148 2.332 7.400 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.382 1.065 7.886 1.00 0.00 C ATOM 663 OH TYR D 45 -19.360 0.857 8.832 1.00 0.00 O ATOM 0 H TYR D 45 -13.912 -0.325 5.666 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.910 0.128 3.581 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.389 1.987 5.448 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.590 2.518 4.288 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.086 -0.640 6.134 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.979 3.527 6.075 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -17.828 -0.991 7.815 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.732 3.167 7.759 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.791 1.710 9.049 1.00 0.00 H new ATOM 673 N GLY D 46 -14.527 1.387 1.846 1.00 0.00 N ATOM 674 CA GLY D 46 -13.690 1.905 0.771 1.00 0.00 C ATOM 675 C GLY D 46 -13.497 3.391 0.916 1.00 0.00 C ATOM 676 O GLY D 46 -13.731 3.927 1.983 1.00 0.00 O ATOM 0 H GLY D 46 -15.530 1.463 1.674 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.722 1.405 0.784 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.150 1.685 -0.193 1.00 0.00 H new ATOM 680 N ILE D 47 -13.148 4.070 -0.166 1.00 0.00 N ATOM 681 CA ILE D 47 -13.017 5.524 -0.149 1.00 0.00 C ATOM 682 C ILE D 47 -14.314 6.116 0.342 1.00 0.00 C ATOM 683 O ILE D 47 -14.356 7.030 1.164 1.00 0.00 O ATOM 684 CB ILE D 47 -12.843 6.115 -1.552 1.00 0.00 C ATOM 685 CG1 ILE D 47 -12.107 5.211 -2.496 1.00 0.00 C ATOM 686 CG2 ILE D 47 -12.189 7.476 -1.485 1.00 0.00 C ATOM 687 CD1 ILE D 47 -13.019 4.174 -3.116 1.00 0.00 C ATOM 0 H ILE D 47 -12.950 3.640 -1.069 1.00 0.00 H new ATOM 0 HA ILE D 47 -12.151 5.749 0.474 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.847 6.224 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.647 5.807 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -11.299 4.710 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -12.076 7.875 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.811 8.150 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.208 7.386 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -12.444 3.542 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.458 3.560 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -13.812 4.673 -3.673 1.00 0.00 H new ATOM 699 N SER D 48 -15.347 5.604 -0.298 1.00 0.00 N ATOM 700 CA SER D 48 -16.727 6.014 -0.140 1.00 0.00 C ATOM 701 C SER D 48 -17.479 5.356 -1.289 1.00 0.00 C ATOM 702 O SER D 48 -17.253 4.176 -1.569 1.00 0.00 O ATOM 703 CB SER D 48 -16.865 7.547 -0.184 1.00 0.00 C ATOM 704 OG SER D 48 -18.207 7.957 0.046 1.00 0.00 O ATOM 0 H SER D 48 -15.240 4.851 -0.978 1.00 0.00 H new ATOM 0 HA SER D 48 -17.127 5.710 0.827 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.213 7.994 0.567 1.00 0.00 H new ATOM 0 HB3 SER D 48 -16.532 7.915 -1.154 1.00 0.00 H new ATOM 0 HG SER D 48 -18.260 8.935 0.013 1.00 0.00 H new ATOM 710 N TYR D 49 -18.092 6.164 -2.131 1.00 0.00 N ATOM 711 CA TYR D 49 -18.533 5.685 -3.430 1.00 0.00 C ATOM 712 C TYR D 49 -17.670 6.294 -4.519 1.00 0.00 C ATOM 713 O TYR D 49 -18.057 7.274 -5.159 1.00 0.00 O ATOM 714 CB TYR D 49 -20.005 5.999 -3.675 1.00 0.00 C ATOM 715 CG TYR D 49 -20.963 4.962 -3.091 1.00 0.00 C ATOM 716 CD1 TYR D 49 -22.203 4.673 -3.681 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.610 4.245 -1.953 1.00 0.00 C ATOM 718 CE1 TYR D 49 -23.039 3.714 -3.143 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.448 3.290 -1.418 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.658 3.027 -2.014 1.00 0.00 C ATOM 721 OH TYR D 49 -23.489 2.070 -1.479 1.00 0.00 O ATOM 0 H TYR D 49 -18.296 7.146 -1.944 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.425 4.600 -3.448 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -20.235 6.974 -3.246 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -20.177 6.074 -4.749 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -22.508 5.208 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.660 4.440 -1.478 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -23.991 3.504 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.154 2.749 -0.531 1.00 0.00 H new ATOM 0 HH TYR D 49 -23.069 1.679 -0.684 1.00 0.00 H new ATOM 731 N GLU D 50 -16.475 5.737 -4.679 1.00 0.00 N ATOM 732 CA GLU D 50 -15.501 6.241 -5.639 1.00 0.00 C ATOM 733 C GLU D 50 -14.727 5.094 -6.275 1.00 0.00 C ATOM 734 O GLU D 50 -14.796 3.958 -5.804 1.00 0.00 O ATOM 735 CB GLU D 50 -14.518 7.186 -4.945 1.00 0.00 C ATOM 736 CG GLU D 50 -15.143 8.475 -4.449 1.00 0.00 C ATOM 737 CD GLU D 50 -14.139 9.381 -3.778 1.00 0.00 C ATOM 738 OE1 GLU D 50 -13.175 9.793 -4.448 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.310 9.672 -2.583 1.00 0.00 O1- ATOM 0 H GLU D 50 -16.155 4.926 -4.149 1.00 0.00 H new ATOM 0 HA GLU D 50 -16.041 6.780 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -14.065 6.666 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.713 7.429 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.599 9.001 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -15.943 8.241 -3.747 1.00 0.00 H new ATOM 746 N ASP D 51 -13.923 5.398 -7.295 1.00 0.00 N ATOM 747 CA ASP D 51 -13.079 4.373 -7.908 1.00 0.00 C ATOM 748 C ASP D 51 -11.641 4.850 -8.059 1.00 0.00 C ATOM 749 O ASP D 51 -11.397 5.989 -8.454 1.00 0.00 O ATOM 750 CB ASP D 51 -13.615 3.919 -9.271 1.00 0.00 C ATOM 751 CG ASP D 51 -15.029 3.389 -9.209 1.00 0.00 C ATOM 752 OD1 ASP D 51 -15.954 4.182 -8.945 1.00 0.00 O ATOM 753 OD2 ASP D 51 -15.219 2.175 -9.403 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.839 6.327 -7.707 1.00 0.00 H new ATOM 0 HA ASP D 51 -13.100 3.519 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.579 4.758 -9.966 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.961 3.145 -9.672 1.00 0.00 H new ATOM 758 N LYS D 52 -10.690 3.976 -7.711 1.00 0.00 N ATOM 759 CA LYS D 52 -9.267 4.290 -7.756 1.00 0.00 C ATOM 760 C LYS D 52 -8.470 3.071 -8.156 1.00 0.00 C ATOM 761 O LYS D 52 -8.893 1.942 -7.916 1.00 0.00 O ATOM 762 CB LYS D 52 -8.749 4.784 -6.405 1.00 0.00 C ATOM 763 CG LYS D 52 -9.199 6.181 -6.019 1.00 0.00 C ATOM 764 CD LYS D 52 -10.632 6.227 -5.518 1.00 0.00 C ATOM 765 CE LYS D 52 -11.146 7.662 -5.477 1.00 0.00 C ATOM 766 NZ LYS D 52 -10.259 8.567 -4.693 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.892 3.029 -7.390 1.00 0.00 H new ATOM 0 HA LYS D 52 -9.143 5.083 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -9.073 4.087 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.659 4.760 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.537 6.569 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -9.101 6.840 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -11.269 5.626 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.688 5.787 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.236 8.041 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -12.146 7.674 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.740 9.476 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -10.041 8.130 -3.775 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -9.376 8.728 -5.218 1.00 0.00 H new ATOM 780 N ASN D 53 -7.278 3.302 -8.681 1.00 0.00 N ATOM 781 CA ASN D 53 -6.367 2.218 -9.020 1.00 0.00 C ATOM 782 C ASN D 53 -5.065 2.369 -8.261 1.00 0.00 C ATOM 783 O ASN D 53 -4.509 3.467 -8.171 1.00 0.00 O ATOM 784 CB ASN D 53 -6.082 2.163 -10.521 1.00 0.00 C ATOM 785 CG ASN D 53 -7.278 1.746 -11.362 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.453 1.604 -10.750 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.150 1.581 -12.574 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.916 4.234 -8.883 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.852 1.285 -8.734 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.742 3.144 -10.852 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.264 1.465 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.236 1.698 -13.011 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -7.958 1.327 -13.142 1.00 0.00 H new ATOM 794 N TRP D 54 -4.594 1.274 -7.693 1.00 0.00 N ATOM 795 CA TRP D 54 -3.373 1.291 -6.911 1.00 0.00 C ATOM 796 C TRP D 54 -2.372 0.255 -7.388 1.00 0.00 C ATOM 797 O TRP D 54 -2.741 -0.742 -8.013 1.00 0.00 O ATOM 798 CB TRP D 54 -3.665 1.038 -5.441 1.00 0.00 C ATOM 799 CG TRP D 54 -3.420 2.235 -4.601 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.169 3.369 -4.479 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.268 2.423 -3.814 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.537 4.246 -3.622 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.359 3.677 -3.210 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.165 1.630 -3.558 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.363 4.148 -2.365 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.199 2.105 -2.723 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.297 3.352 -2.139 1.00 0.00 C ATOM 0 H TRP D 54 -5.041 0.359 -7.759 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.941 2.283 -7.042 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.703 0.725 -5.328 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.044 0.216 -5.086 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.110 3.552 -4.976 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.887 5.162 -3.342 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.071 0.654 -4.011 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.439 5.121 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.664 1.491 -2.513 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.494 3.697 -1.489 1.00 0.00 H new ATOM 818 N GLY D 55 -1.108 0.453 -7.018 1.00 0.00 N ATOM 819 CA GLY D 55 -0.094 -0.518 -7.355 1.00 0.00 C ATOM 820 C GLY D 55 1.051 -0.589 -6.359 1.00 0.00 C ATOM 821 O GLY D 55 1.339 0.355 -5.623 1.00 0.00 O ATOM 0 H GLY D 55 -0.775 1.263 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.558 -1.501 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.309 -0.280 -8.339 1.00 0.00 H new ATOM 825 N ILE D 56 1.735 -1.709 -6.428 1.00 0.00 N ATOM 826 CA ILE D 56 2.935 -2.018 -5.649 1.00 0.00 C ATOM 827 C ILE D 56 3.972 -2.525 -6.632 1.00 0.00 C ATOM 828 O ILE D 56 3.693 -3.457 -7.378 1.00 0.00 O ATOM 829 CB ILE D 56 2.632 -3.124 -4.615 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.503 -2.693 -3.680 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.872 -3.474 -3.812 1.00 0.00 C ATOM 832 CD1 ILE D 56 1.087 -3.776 -2.714 1.00 0.00 C ATOM 0 H ILE D 56 1.466 -2.469 -7.053 1.00 0.00 H new ATOM 0 HA ILE D 56 3.284 -1.136 -5.112 1.00 0.00 H new ATOM 0 HB ILE D 56 2.315 -4.013 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.821 -1.815 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.640 -2.395 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.630 -4.255 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.653 -3.830 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.225 -2.589 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.282 -3.407 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.740 -4.646 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.938 -4.058 -2.095 1.00 0.00 H new ATOM 844 N PHE D 57 5.042 -1.783 -6.814 1.00 0.00 N ATOM 845 CA PHE D 57 5.933 -2.065 -7.928 1.00 0.00 C ATOM 846 C PHE D 57 7.240 -2.664 -7.448 1.00 0.00 C ATOM 847 O PHE D 57 8.114 -1.955 -6.952 1.00 0.00 O ATOM 848 CB PHE D 57 6.187 -0.805 -8.771 1.00 0.00 C ATOM 849 CG PHE D 57 4.923 -0.139 -9.252 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.540 -0.221 -10.578 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.116 0.576 -8.377 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.379 0.387 -11.013 1.00 0.00 C ATOM 853 CE2 PHE D 57 2.965 1.177 -8.804 1.00 0.00 C ATOM 854 CZ PHE D 57 2.592 1.085 -10.119 1.00 0.00 C ATOM 0 H PHE D 57 5.316 -0.998 -6.224 1.00 0.00 H new ATOM 0 HA PHE D 57 5.440 -2.800 -8.563 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.762 -0.092 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.799 -1.071 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.154 -0.765 -11.280 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.403 0.659 -7.339 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.087 0.317 -12.050 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.350 1.724 -8.105 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.682 1.559 -10.456 1.00 0.00 H new ATOM 864 N VAL D 58 7.382 -3.964 -7.654 1.00 0.00 N ATOM 865 CA VAL D 58 8.601 -4.673 -7.310 1.00 0.00 C ATOM 866 C VAL D 58 9.483 -4.837 -8.543 1.00 0.00 C ATOM 867 O VAL D 58 9.163 -5.614 -9.449 1.00 0.00 O ATOM 868 CB VAL D 58 8.296 -6.059 -6.693 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.577 -6.812 -6.385 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.464 -5.909 -5.430 1.00 0.00 C ATOM 0 H VAL D 58 6.657 -4.554 -8.063 1.00 0.00 H new ATOM 0 HA VAL D 58 9.130 -4.079 -6.564 1.00 0.00 H new ATOM 0 HB VAL D 58 7.727 -6.633 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.334 -7.782 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.144 -6.957 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.175 -6.239 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.259 -6.894 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.012 -5.311 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.523 -5.415 -5.671 1.00 0.00 H new ATOM 880 N ASN D 59 10.599 -4.106 -8.554 1.00 0.00 N ATOM 881 CA ASN D 59 11.574 -4.156 -9.649 1.00 0.00 C ATOM 882 C ASN D 59 10.939 -3.849 -11.003 1.00 0.00 C ATOM 883 O ASN D 59 11.299 -4.454 -12.014 1.00 0.00 O ATOM 884 CB ASN D 59 12.265 -5.523 -9.704 1.00 0.00 C ATOM 885 CG ASN D 59 13.101 -5.809 -8.472 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.594 -5.838 -7.353 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.393 -6.023 -8.670 1.00 0.00 N ATOM 0 H ASN D 59 10.854 -3.462 -7.805 1.00 0.00 H new ATOM 0 HA ASN D 59 12.315 -3.384 -9.442 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.511 -6.302 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.901 -5.568 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.005 -6.220 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.776 -5.990 -9.615 1.00 0.00 H new ATOM 894 N GLY D 60 10.030 -2.882 -11.040 1.00 0.00 N ATOM 895 CA GLY D 60 9.419 -2.502 -12.303 1.00 0.00 C ATOM 896 C GLY D 60 8.051 -3.107 -12.495 1.00 0.00 C ATOM 897 O GLY D 60 7.200 -2.555 -13.195 1.00 0.00 O ATOM 0 H GLY D 60 9.706 -2.358 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.341 -1.416 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.067 -2.812 -13.123 1.00 0.00 H new ATOM 901 N GLU D 61 7.875 -4.280 -11.931 1.00 0.00 N ATOM 902 CA GLU D 61 6.642 -5.038 -12.087 1.00 0.00 C ATOM 903 C GLU D 61 5.633 -4.666 -11.012 1.00 0.00 C ATOM 904 O GLU D 61 5.902 -4.811 -9.819 1.00 0.00 O ATOM 905 CB GLU D 61 6.945 -6.541 -12.017 1.00 0.00 C ATOM 906 CG GLU D 61 5.707 -7.428 -12.037 1.00 0.00 C ATOM 907 CD GLU D 61 6.044 -8.899 -11.997 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.684 -9.338 -11.022 1.00 0.00 O ATOM 909 OE2 GLU D 61 5.664 -9.618 -12.939 1.00 0.00 O1- ATOM 0 H GLU D 61 8.577 -4.740 -11.351 1.00 0.00 H new ATOM 0 HA GLU D 61 6.212 -4.796 -13.059 1.00 0.00 H new ATOM 0 HB2 GLU D 61 7.585 -6.811 -12.857 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.510 -6.745 -11.107 1.00 0.00 H new ATOM 0 HG2 GLU D 61 5.074 -7.181 -11.185 1.00 0.00 H new ATOM 0 HG3 GLU D 61 5.128 -7.216 -12.936 1.00 0.00 H new ATOM 916 N LYS D 62 4.430 -4.290 -11.442 1.00 0.00 N ATOM 917 CA LYS D 62 3.345 -4.031 -10.510 1.00 0.00 C ATOM 918 C LYS D 62 2.884 -5.373 -9.948 1.00 0.00 C ATOM 919 O LYS D 62 2.264 -6.170 -10.656 1.00 0.00 O ATOM 920 CB LYS D 62 2.181 -3.327 -11.219 1.00 0.00 C ATOM 921 CG LYS D 62 1.117 -2.803 -10.266 1.00 0.00 C ATOM 922 CD LYS D 62 -0.126 -2.257 -10.979 1.00 0.00 C ATOM 923 CE LYS D 62 0.161 -1.109 -11.949 1.00 0.00 C ATOM 924 NZ LYS D 62 0.850 -1.550 -13.193 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.187 -4.160 -12.424 1.00 0.00 H new ATOM 0 HA LYS D 62 3.688 -3.378 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.573 -2.496 -11.806 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.719 -4.022 -11.920 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.817 -3.606 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.549 -2.014 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.603 -3.070 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS D 62 -0.840 -1.915 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -0.778 -0.623 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS D 62 0.776 -0.362 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 1.834 -1.214 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.839 -2.589 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.358 -1.156 -14.020 1.00 0.00 H new ATOM 938 N VAL D 63 3.372 -5.699 -8.765 1.00 0.00 N ATOM 939 CA VAL D 63 3.212 -7.032 -8.220 1.00 0.00 C ATOM 940 C VAL D 63 1.797 -7.262 -7.686 1.00 0.00 C ATOM 941 O VAL D 63 1.294 -8.386 -7.702 1.00 0.00 O ATOM 942 CB VAL D 63 4.263 -7.294 -7.133 1.00 0.00 C ATOM 943 CG1 VAL D 63 4.046 -6.415 -5.912 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.319 -8.761 -6.756 1.00 0.00 C ATOM 0 H VAL D 63 3.884 -5.055 -8.162 1.00 0.00 H new ATOM 0 HA VAL D 63 3.366 -7.744 -9.030 1.00 0.00 H new ATOM 0 HB VAL D 63 5.232 -7.026 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.811 -6.632 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.110 -5.366 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL D 63 3.061 -6.615 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL D 63 5.074 -8.910 -5.984 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.347 -9.077 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.577 -9.353 -7.634 1.00 0.00 H new ATOM 954 N TYR D 64 1.139 -6.186 -7.268 1.00 0.00 N ATOM 955 CA TYR D 64 -0.237 -6.271 -6.796 1.00 0.00 C ATOM 956 C TYR D 64 -1.013 -5.013 -7.167 1.00 0.00 C ATOM 957 O TYR D 64 -0.598 -3.899 -6.842 1.00 0.00 O ATOM 958 CB TYR D 64 -0.275 -6.486 -5.280 1.00 0.00 C ATOM 959 CG TYR D 64 -1.680 -6.607 -4.718 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.648 -7.366 -5.369 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.043 -5.957 -3.545 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.932 -7.467 -4.867 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.323 -6.060 -3.038 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.263 -6.813 -3.704 1.00 0.00 C ATOM 965 OH TYR D 64 -5.541 -6.909 -3.204 1.00 0.00 O ATOM 0 H TYR D 64 1.536 -5.247 -7.247 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.709 -7.125 -7.281 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.284 -7.389 -5.035 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.233 -5.655 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.392 -7.884 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.311 -5.361 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.672 -8.057 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.586 -5.552 -2.122 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.926 -7.774 -3.455 1.00 0.00 H new ATOM 975 N THR D 65 -2.170 -5.203 -7.790 1.00 0.00 N ATOM 976 CA THR D 65 -3.041 -4.092 -8.131 1.00 0.00 C ATOM 977 C THR D 65 -4.291 -4.123 -7.263 1.00 0.00 C ATOM 978 O THR D 65 -5.224 -4.883 -7.537 1.00 0.00 O ATOM 979 CB THR D 65 -3.435 -4.144 -9.590 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.293 -4.238 -10.423 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.243 -2.939 -10.052 1.00 0.00 C ATOM 0 H THR D 65 -2.524 -6.118 -8.068 1.00 0.00 H new ATOM 0 HA THR D 65 -2.496 -3.165 -7.950 1.00 0.00 H new ATOM 0 HB THR D 65 -4.062 -5.032 -9.676 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.527 -3.956 -11.332 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.488 -3.049 -11.108 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.163 -2.873 -9.471 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.657 -2.031 -9.908 1.00 0.00 H new ATOM 989 N PHE D 66 -4.361 -3.232 -6.289 1.00 0.00 N ATOM 990 CA PHE D 66 -5.570 -3.111 -5.494 1.00 0.00 C ATOM 991 C PHE D 66 -6.233 -1.793 -5.798 1.00 0.00 C ATOM 992 O PHE D 66 -5.640 -0.922 -6.421 1.00 0.00 O ATOM 993 CB PHE D 66 -5.298 -3.296 -3.999 1.00 0.00 C ATOM 994 CG PHE D 66 -4.435 -2.260 -3.316 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.140 -2.566 -2.921 1.00 0.00 C ATOM 996 CD2 PHE D 66 -4.943 -1.009 -3.002 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.369 -1.642 -2.237 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.176 -0.081 -2.325 1.00 0.00 C ATOM 999 CZ PHE D 66 -2.887 -0.396 -1.939 1.00 0.00 C ATOM 0 H PHE D 66 -3.609 -2.592 -6.033 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.254 -3.915 -5.767 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.258 -3.328 -3.483 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -4.829 -4.270 -3.860 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -2.729 -3.538 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -5.953 -0.756 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.363 -1.895 -1.936 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.584 0.892 -2.097 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.287 0.328 -1.407 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.505 -1.711 -5.514 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.284 -0.563 -5.916 1.00 0.00 C ATOM 1011 C ASN D 67 -9.028 -0.034 -4.718 1.00 0.00 C ATOM 1012 O ASN D 67 -9.559 -0.823 -3.961 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.287 -0.968 -7.002 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.635 -1.522 -8.255 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -7.928 -2.528 -8.216 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -8.881 -0.878 -9.381 1.00 0.00 N ATOM 0 H ASN D 67 -8.027 -2.424 -5.005 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.622 0.206 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -9.968 -1.716 -6.595 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.890 -0.100 -7.270 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -8.480 -1.212 -10.257 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.472 -0.047 -9.374 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.171 1.284 -4.598 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.992 1.839 -3.523 1.00 0.00 C ATOM 1025 C GLU D 68 -11.440 1.407 -3.725 1.00 0.00 C ATOM 1026 O GLU D 68 -12.199 1.277 -2.766 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.912 3.363 -3.482 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.511 3.929 -3.337 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.791 3.433 -2.108 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -8.283 3.699 -0.997 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.731 2.805 -2.263 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.741 1.973 -5.215 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.613 1.460 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.355 3.760 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.520 3.721 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.928 3.669 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.568 5.017 -3.302 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.743 1.037 -4.976 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.016 0.418 -5.341 1.00 0.00 C ATOM 1040 C LYS D 69 -13.257 -0.742 -4.409 1.00 0.00 C ATOM 1041 O LYS D 69 -14.212 -0.777 -3.630 1.00 0.00 O ATOM 1042 CB LYS D 69 -12.911 -0.166 -6.740 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.416 0.808 -7.795 1.00 0.00 C ATOM 1044 CD LYS D 69 -12.266 0.124 -9.145 1.00 0.00 C ATOM 1045 CE LYS D 69 -13.589 -0.447 -9.636 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.447 -1.171 -10.926 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.107 1.161 -5.764 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.811 1.162 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.239 -1.024 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -13.891 -0.538 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.114 1.641 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.458 1.226 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -11.885 0.838 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -11.530 -0.676 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -13.991 -1.125 -8.884 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.310 0.362 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -14.373 -1.542 -11.220 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -13.089 -0.519 -11.653 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -12.780 -1.960 -10.810 1.00 0.00 H new ATOM 1060 N SER D 70 -12.246 -1.593 -4.402 1.00 0.00 N ATOM 1061 CA SER D 70 -12.134 -2.675 -3.472 1.00 0.00 C ATOM 1062 C SER D 70 -11.964 -2.095 -2.081 1.00 0.00 C ATOM 1063 O SER D 70 -11.039 -1.333 -1.837 1.00 0.00 O ATOM 1064 CB SER D 70 -10.926 -3.522 -3.853 1.00 0.00 C ATOM 1065 OG SER D 70 -11.003 -3.909 -5.217 1.00 0.00 O ATOM 0 H SER D 70 -11.470 -1.540 -5.061 1.00 0.00 H new ATOM 0 HA SER D 70 -13.025 -3.303 -3.491 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.009 -2.958 -3.680 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.880 -4.408 -3.219 1.00 0.00 H new ATOM 0 HG SER D 70 -10.220 -4.451 -5.448 1.00 0.00 H new ATOM 1071 N THR D 71 -12.877 -2.410 -1.189 1.00 0.00 N ATOM 1072 CA THR D 71 -12.817 -1.872 0.154 1.00 0.00 C ATOM 1073 C THR D 71 -11.448 -2.137 0.767 1.00 0.00 C ATOM 1074 O THR D 71 -10.993 -3.280 0.770 1.00 0.00 O ATOM 1075 CB THR D 71 -13.902 -2.502 0.994 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.775 -3.913 1.016 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.300 -2.169 0.514 1.00 0.00 C ATOM 0 H THR D 71 -13.666 -3.032 -1.366 1.00 0.00 H new ATOM 0 HA THR D 71 -12.972 -0.794 0.119 1.00 0.00 H new ATOM 0 HB THR D 71 -13.769 -2.084 1.992 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.488 -4.297 1.568 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.032 -2.653 1.161 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.447 -1.089 0.543 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.428 -2.525 -0.508 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.752 -1.072 1.190 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.398 -1.184 1.702 1.00 0.00 C ATOM 1087 C VAL D 72 -9.301 -2.190 2.850 1.00 0.00 C ATOM 1088 O VAL D 72 -8.226 -2.714 3.143 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.783 0.181 2.106 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.592 0.468 1.205 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.785 1.330 1.960 1.00 0.00 C ATOM 0 H VAL D 72 -11.117 -0.120 1.183 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.802 -1.562 0.871 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.487 0.116 3.153 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.151 1.426 1.480 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.849 -0.321 1.322 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.922 0.505 0.167 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.310 2.266 2.254 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.111 1.399 0.922 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.648 1.144 2.600 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.462 -2.594 3.355 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.541 -3.684 4.288 1.00 0.00 C ATOM 1103 C GLY D 73 -10.325 -5.023 3.635 1.00 0.00 C ATOM 1104 O GLY D 73 -9.427 -5.773 4.014 1.00 0.00 O ATOM 0 H GLY D 73 -11.361 -2.171 3.124 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.796 -3.542 5.071 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.518 -3.673 4.771 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.145 -5.312 2.628 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.045 -6.565 1.885 1.00 0.00 C ATOM 1110 C ASN D 74 -9.732 -6.603 1.112 1.00 0.00 C ATOM 1111 O ASN D 74 -9.199 -7.670 0.829 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.243 -6.703 0.927 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.338 -8.061 0.248 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -11.416 -8.505 -0.430 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -13.483 -8.717 0.392 1.00 0.00 N ATOM 0 H ASN D 74 -11.889 -4.693 2.307 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.062 -7.402 2.583 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.163 -6.521 1.483 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.175 -5.930 0.162 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -13.616 -9.618 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.230 -8.320 0.963 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.143 -5.435 0.903 1.00 0.00 N ATOM 1123 CA ILE D 75 -7.811 -5.358 0.306 1.00 0.00 C ATOM 1124 C ILE D 75 -6.764 -5.835 1.298 1.00 0.00 C ATOM 1125 O ILE D 75 -5.854 -6.566 0.939 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.451 -3.935 -0.124 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.435 -3.387 -1.168 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.025 -3.883 -0.649 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.139 -1.955 -1.549 1.00 0.00 C ATOM 0 H ILE D 75 -9.559 -4.533 1.134 1.00 0.00 H new ATOM 0 HA ILE D 75 -7.826 -5.996 -0.577 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.524 -3.297 0.757 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.398 -4.012 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.450 -3.452 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -5.785 -2.863 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.337 -4.201 0.134 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -5.929 -4.547 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -8.864 -1.618 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.203 -1.322 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.135 -1.890 -1.969 1.00 0.00 H new ATOM 1141 N SER D 76 -6.912 -5.448 2.557 1.00 0.00 N ATOM 1142 CA SER D 76 -5.982 -5.888 3.587 1.00 0.00 C ATOM 1143 C SER D 76 -6.204 -7.349 3.920 1.00 0.00 C ATOM 1144 O SER D 76 -5.256 -8.047 4.283 1.00 0.00 O ATOM 1145 CB SER D 76 -6.095 -5.021 4.837 1.00 0.00 C ATOM 1146 OG SER D 76 -5.296 -5.531 5.891 1.00 0.00 O ATOM 0 H SER D 76 -7.659 -4.837 2.888 1.00 0.00 H new ATOM 0 HA SER D 76 -4.970 -5.778 3.196 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.787 -4.002 4.604 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.136 -4.974 5.157 1.00 0.00 H new ATOM 0 HG SER D 76 -5.506 -5.054 6.721 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.382 -7.857 3.574 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.613 -9.293 3.607 1.00 0.00 C ATOM 1154 C ASN D 77 -6.645 -9.953 2.640 1.00 0.00 C ATOM 1155 O ASN D 77 -6.188 -11.068 2.866 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.050 -9.640 3.200 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.098 -9.151 4.183 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.663 -8.553 5.284 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -11.295 -9.320 3.953 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.182 -7.302 3.271 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.458 -9.652 4.624 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.255 -9.209 2.220 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.138 -10.722 3.097 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.589 -9.785 3.094 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.994 -8.995 4.622 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.314 -9.209 1.584 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.364 -9.646 0.566 1.00 0.00 C ATOM 1168 C ASP D 78 -3.918 -9.327 0.927 1.00 0.00 C ATOM 1169 O ASP D 78 -3.013 -10.067 0.566 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.700 -9.010 -0.787 1.00 0.00 C ATOM 1171 CG ASP D 78 -6.920 -9.615 -1.438 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.999 -9.586 -0.830 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -6.797 -10.113 -2.572 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.701 -8.281 1.412 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.456 -10.730 0.506 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -5.861 -7.941 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -4.846 -9.120 -1.456 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.670 -8.158 1.479 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.293 -7.716 1.672 1.00 0.00 C ATOM 1180 C ILE D 79 -1.541 -8.630 2.636 1.00 0.00 C ATOM 1181 O ILE D 79 -0.317 -8.758 2.557 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.231 -6.257 2.179 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.096 -5.379 1.293 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.803 -5.741 2.155 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.121 -3.934 1.716 1.00 0.00 C ATOM 0 H ILE D 79 -4.384 -7.503 1.799 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.808 -7.766 0.697 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.597 -6.229 3.205 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.733 -5.442 0.267 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.115 -5.767 1.295 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.782 -4.713 2.516 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.180 -6.364 2.797 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.421 -5.776 1.135 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.759 -3.367 1.037 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.513 -3.859 2.730 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.110 -3.529 1.687 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.275 -9.303 3.507 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.670 -10.233 4.436 1.00 0.00 C ATOM 1199 C ASN D 80 -1.175 -11.498 3.738 1.00 0.00 C ATOM 1200 O ASN D 80 -0.143 -12.044 4.122 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.638 -10.575 5.563 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.879 -9.397 6.492 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.938 -8.839 7.058 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -4.135 -9.018 6.667 1.00 0.00 N ATOM 0 H ASN D 80 -3.288 -9.220 3.587 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.797 -9.742 4.867 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.588 -10.900 5.138 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.243 -11.413 6.137 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -4.351 -8.239 7.289 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.887 -9.505 6.180 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.838 -11.919 2.657 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.340 -13.060 1.901 1.00 0.00 C ATOM 1213 C LYS D 81 -0.223 -12.650 0.951 1.00 0.00 C ATOM 1214 O LYS D 81 0.816 -13.303 0.903 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.433 -13.810 1.133 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.332 -12.945 0.283 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.640 -12.633 0.989 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.566 -13.843 1.118 1.00 0.00 C ATOM 1219 NZ LYS D 81 -5.002 -14.925 1.967 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.695 -11.499 2.298 1.00 0.00 H new ATOM 0 HA LYS D 81 -0.945 -13.751 2.645 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -1.959 -14.553 0.492 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.050 -14.353 1.849 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.819 -12.015 0.040 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.539 -13.451 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.423 -12.244 1.984 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.159 -11.844 0.444 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -6.519 -13.520 1.538 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -5.774 -14.241 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -5.773 -15.525 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -4.346 -15.502 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -4.492 -14.506 2.770 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.432 -11.567 0.197 1.00 0.00 N ATOM 1234 CA LEU D 82 0.562 -11.071 -0.746 1.00 0.00 C ATOM 1235 C LEU D 82 1.946 -10.897 -0.119 1.00 0.00 C ATOM 1236 O LEU D 82 2.953 -11.046 -0.810 1.00 0.00 O ATOM 1237 CB LEU D 82 0.083 -9.769 -1.347 1.00 0.00 C ATOM 1238 CG LEU D 82 -0.904 -9.926 -2.503 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.211 -10.502 -3.726 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.095 -10.798 -2.143 1.00 0.00 C ATOM 0 H LEU D 82 -1.290 -11.016 0.226 1.00 0.00 H new ATOM 0 HA LEU D 82 0.673 -11.823 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.387 -9.174 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.948 -9.207 -1.699 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.278 -8.926 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -0.931 -10.606 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.592 -9.834 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU D 82 0.204 -11.480 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.763 -10.874 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.747 -11.793 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.631 -10.353 -1.305 1.00 0.00 H new ATOM 1252 N ASN D 83 1.980 -10.662 1.200 1.00 0.00 N ATOM 1253 CA ASN D 83 3.239 -10.551 1.956 1.00 0.00 C ATOM 1254 C ASN D 83 4.192 -9.575 1.273 1.00 0.00 C ATOM 1255 O ASN D 83 5.166 -9.984 0.639 1.00 0.00 O ATOM 1256 CB ASN D 83 3.904 -11.932 2.086 1.00 0.00 C ATOM 1257 CG ASN D 83 5.150 -11.944 2.966 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.445 -10.837 3.633 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 5.833 -12.963 3.060 1.00 0.00 N flip ATOM 0 H ASN D 83 1.143 -10.544 1.771 1.00 0.00 H new ATOM 0 HA ASN D 83 3.009 -10.172 2.952 1.00 0.00 H new ATOM 0 HB2 ASN D 83 3.178 -12.636 2.493 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.171 -12.289 1.092 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.578 -13.798 2.533 1.00 0.00 H new ATOM 0 HD22 ASN D 83 6.654 -12.973 3.665 1.00 0.00 H new ATOM 1266 N ILE D 84 3.866 -8.294 1.331 1.00 0.00 N ATOM 1267 CA ILE D 84 4.656 -7.290 0.639 1.00 0.00 C ATOM 1268 C ILE D 84 5.935 -6.967 1.417 1.00 0.00 C ATOM 1269 O ILE D 84 5.926 -6.134 2.325 1.00 0.00 O ATOM 1270 CB ILE D 84 3.829 -6.005 0.411 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.518 -6.336 -0.309 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.615 -4.986 -0.396 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.721 -6.979 -1.665 1.00 0.00 C ATOM 0 H ILE D 84 3.066 -7.927 1.846 1.00 0.00 H new ATOM 0 HA ILE D 84 4.939 -7.698 -0.331 1.00 0.00 H new ATOM 0 HB ILE D 84 3.604 -5.574 1.387 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.927 -7.005 0.317 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.939 -5.421 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.009 -4.092 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.527 -4.723 0.140 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.873 -5.411 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.752 -7.186 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.285 -6.303 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.273 -7.911 -1.547 1.00 0.00 H new ATOM 1285 N LYS D 85 7.036 -7.617 1.030 1.00 0.00 N ATOM 1286 CA LYS D 85 8.342 -7.407 1.654 1.00 0.00 C ATOM 1287 C LYS D 85 9.480 -7.727 0.690 1.00 0.00 C ATOM 1288 O LYS D 85 9.989 -8.850 0.677 1.00 0.00 O ATOM 1289 CB LYS D 85 8.488 -8.288 2.899 1.00 0.00 C ATOM 1290 CG LYS D 85 7.743 -7.776 4.121 1.00 0.00 C ATOM 1291 CD LYS D 85 8.338 -6.466 4.616 1.00 0.00 C ATOM 1292 CE LYS D 85 9.787 -6.649 5.050 1.00 0.00 C ATOM 1293 NZ LYS D 85 10.416 -5.375 5.484 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.045 -8.303 0.275 1.00 0.00 H new ATOM 0 HA LYS D 85 8.400 -6.355 1.933 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.130 -9.290 2.664 1.00 0.00 H new ATOM 0 HB3 LYS D 85 9.546 -8.377 3.144 1.00 0.00 H new ATOM 0 HG2 LYS D 85 6.691 -7.631 3.875 1.00 0.00 H new ATOM 0 HG3 LYS D 85 7.785 -8.521 4.915 1.00 0.00 H new ATOM 0 HD2 LYS D 85 8.284 -5.717 3.826 1.00 0.00 H new ATOM 0 HD3 LYS D 85 7.750 -6.089 5.453 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.830 -7.369 5.868 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.360 -7.070 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 11.377 -5.564 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 10.462 -4.719 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 9.849 -4.950 6.245 1.00 0.00 H new ATOM 1307 N GLY D 86 9.952 -6.704 -0.019 1.00 0.00 N ATOM 1308 CA GLY D 86 11.120 -6.838 -0.885 1.00 0.00 C ATOM 1309 C GLY D 86 10.941 -7.807 -2.040 1.00 0.00 C ATOM 1310 O GLY D 86 10.131 -8.734 -1.980 1.00 0.00 O ATOM 0 H GLY D 86 9.542 -5.770 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.373 -5.857 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.968 -7.164 -0.282 1.00 0.00 H new ATOM 1314 N PRO D 87 11.704 -7.614 -3.124 1.00 0.00 N ATOM 1315 CA PRO D 87 12.675 -6.528 -3.244 1.00 0.00 C ATOM 1316 C PRO D 87 12.060 -5.263 -3.860 1.00 0.00 C ATOM 1317 O PRO D 87 10.860 -5.244 -4.106 1.00 0.00 O ATOM 1318 CB PRO D 87 13.717 -7.158 -4.160 1.00 0.00 C ATOM 1319 CG PRO D 87 12.944 -8.054 -5.068 1.00 0.00 C ATOM 1320 CD PRO D 87 11.682 -8.448 -4.335 1.00 0.00 C ATOM 0 HA PRO D 87 13.070 -6.183 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.258 -6.398 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.457 -7.719 -3.589 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.704 -7.543 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.529 -8.936 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.794 -8.256 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.677 -9.510 -4.089 1.00 0.00 H new ATOM 1328 N TYR D 88 12.898 -4.218 -4.042 1.00 0.00 N ATOM 1329 CA TYR D 88 12.506 -2.881 -4.573 1.00 0.00 C ATOM 1330 C TYR D 88 10.996 -2.702 -4.739 1.00 0.00 C ATOM 1331 O TYR D 88 10.437 -3.056 -5.775 1.00 0.00 O ATOM 1332 CB TYR D 88 13.171 -2.616 -5.934 1.00 0.00 C ATOM 1333 CG TYR D 88 14.686 -2.645 -5.920 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.379 -3.787 -5.545 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.421 -1.524 -6.281 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.759 -3.815 -5.529 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.803 -1.543 -6.270 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.467 -2.692 -5.893 1.00 0.00 C ATOM 1339 OH TYR D 88 18.842 -2.713 -5.879 1.00 0.00 O ATOM 0 H TYR D 88 13.892 -4.276 -3.820 1.00 0.00 H new ATOM 0 HA TYR D 88 12.849 -2.167 -3.824 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.814 -3.359 -6.647 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.844 -1.642 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.828 -4.671 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.904 -0.622 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.280 -4.713 -5.233 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.360 -0.663 -6.555 1.00 0.00 H new ATOM 0 HH TYR D 88 19.185 -1.841 -6.164 1.00 0.00 H new ATOM 1349 N ILE D 89 10.343 -2.167 -3.717 1.00 0.00 N ATOM 1350 CA ILE D 89 8.897 -1.975 -3.746 1.00 0.00 C ATOM 1351 C ILE D 89 8.513 -0.506 -3.813 1.00 0.00 C ATOM 1352 O ILE D 89 9.019 0.321 -3.054 1.00 0.00 O ATOM 1353 CB ILE D 89 8.243 -2.628 -2.511 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.486 -4.143 -2.534 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.754 -2.353 -2.486 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.901 -4.855 -1.341 1.00 0.00 C ATOM 0 H ILE D 89 10.791 -1.857 -2.855 1.00 0.00 H new ATOM 0 HA ILE D 89 8.530 -2.456 -4.653 1.00 0.00 H new ATOM 0 HB ILE D 89 8.692 -2.199 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.056 -4.560 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.559 -4.332 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.312 -2.822 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.583 -1.277 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.293 -2.761 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.107 -5.923 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.349 -4.463 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.823 -4.695 -1.314 1.00 0.00 H new ATOM 1368 N GLU D 90 7.539 -0.216 -4.664 1.00 0.00 N ATOM 1369 CA GLU D 90 6.981 1.122 -4.772 1.00 0.00 C ATOM 1370 C GLU D 90 5.459 1.060 -4.657 1.00 0.00 C ATOM 1371 O GLU D 90 4.765 0.763 -5.624 1.00 0.00 O ATOM 1372 CB GLU D 90 7.394 1.763 -6.102 1.00 0.00 C ATOM 1373 CG GLU D 90 6.906 3.192 -6.273 1.00 0.00 C ATOM 1374 CD GLU D 90 7.328 3.791 -7.591 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.543 3.885 -7.840 1.00 0.00 O ATOM 1376 OE2 GLU D 90 6.444 4.161 -8.382 1.00 0.00 O1- ATOM 0 H GLU D 90 7.116 -0.897 -5.295 1.00 0.00 H new ATOM 0 HA GLU D 90 7.369 1.736 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.481 1.749 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU D 90 7.008 1.157 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU D 90 5.819 3.213 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU D 90 7.292 3.805 -5.458 1.00 0.00 H new ATOM 1383 N ILE D 91 4.950 1.284 -3.458 1.00 0.00 N ATOM 1384 CA ILE D 91 3.519 1.204 -3.202 1.00 0.00 C ATOM 1385 C ILE D 91 2.927 2.621 -3.281 1.00 0.00 C ATOM 1386 O ILE D 91 3.140 3.429 -2.378 1.00 0.00 O ATOM 1387 CB ILE D 91 3.260 0.604 -1.792 1.00 0.00 C ATOM 1388 CG1 ILE D 91 4.227 -0.531 -1.498 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.852 0.046 -1.664 1.00 0.00 C ATOM 1390 CD1 ILE D 91 4.029 -1.139 -0.126 1.00 0.00 C ATOM 0 H ILE D 91 5.510 1.525 -2.640 1.00 0.00 H new ATOM 0 HA ILE D 91 3.048 0.560 -3.944 1.00 0.00 H new ATOM 0 HB ILE D 91 3.399 1.422 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE D 91 4.107 -1.307 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.249 -0.161 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.713 -0.364 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.128 0.843 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.704 -0.742 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.749 -1.943 0.023 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.177 -0.374 0.636 1.00 0.00 H new ATOM 0 HD13 ILE D 91 3.018 -1.538 -0.047 1.00 0.00 H new ATOM 1402 N LYS D 92 2.152 2.908 -4.336 1.00 0.00 N ATOM 1403 CA LYS D 92 1.502 4.212 -4.486 1.00 0.00 C ATOM 1404 C LYS D 92 0.353 4.095 -5.479 1.00 0.00 C ATOM 1405 O LYS D 92 0.248 3.092 -6.188 1.00 0.00 O ATOM 1406 CB LYS D 92 2.494 5.298 -4.950 1.00 0.00 C ATOM 1407 CG LYS D 92 2.596 5.483 -6.465 1.00 0.00 C ATOM 1408 CD LYS D 92 3.104 4.260 -7.213 1.00 0.00 C ATOM 1409 CE LYS D 92 3.068 4.519 -8.715 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.064 3.703 -9.456 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.962 2.254 -5.095 1.00 0.00 H new ATOM 0 HA LYS D 92 1.120 4.514 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.203 6.248 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.483 5.053 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.613 5.749 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.259 6.323 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.122 4.028 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.490 3.393 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.070 4.301 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.257 5.576 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.182 4.086 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.976 3.732 -8.957 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.732 2.719 -9.515 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.474 5.130 -5.583 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.548 5.099 -6.557 1.00 0.00 C ATOM 1426 C GLN D 93 -1.075 5.562 -7.913 1.00 0.00 C ATOM 1427 O GLN D 93 0.069 5.984 -8.083 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.764 5.890 -6.118 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.468 7.329 -5.788 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.666 8.038 -5.192 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.181 7.633 -4.146 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.122 9.090 -5.853 1.00 0.00 N ATOM 0 H GLN D 93 -0.421 5.978 -5.019 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.857 4.056 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.513 5.855 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.202 5.409 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.635 7.375 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.153 7.850 -6.692 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.664 9.389 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.931 9.602 -5.501 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.875 5.241 -8.899 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.468 5.356 -10.277 1.00 0.00 C ATOM 1443 C ILE D 94 -2.581 5.944 -11.136 1.00 0.00 C ATOM 1444 O ILE D 94 -2.556 5.742 -12.364 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.096 3.963 -10.781 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.251 3.017 -10.501 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.173 3.458 -10.119 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.961 1.576 -10.810 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.475 6.604 -10.572 1.00 0.00 O ATOM 0 H ILE D 94 -2.825 4.893 -8.769 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.614 6.029 -10.346 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.907 4.012 -11.853 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.528 3.102 -9.450 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.115 3.335 -11.085 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.411 2.464 -10.499 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.995 4.138 -10.342 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.026 3.408 -9.040 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.838 0.971 -10.581 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.715 1.473 -11.867 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.119 1.237 -10.207 1.00 0.00 H new