USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=30 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 70 SER OG : rot 180:sc= 0.242 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.247 X(o=0.49,f=0) USER MOD Set 2.1: D 35 GLN : amide:sc= -1.04! C(o=-1.2!,f=-4.6!) USER MOD Set 2.2: D 83 ASN : amide:sc= -0.21 X(o=-1.2,f=-1.3) USER MOD Set 3.1: D 22 LYS NZ :NH3+ -173:sc= 0.802 (180deg=0) USER MOD Set 3.2: D 93 GLN : amide:sc= 0.708 K(o=1.5,f=-3) USER MOD Set 4.1: D 21 ASN : amide:sc= -3.84! C(o=-6.1!,f=-9.5!) USER MOD Set 4.2: D 26 LYS NZ :NH3+ -125:sc= -2.26! (180deg=-4.88!) USER MOD Single : D 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 17 ASN : amide:sc= -4.2! C(o=-4.2!,f=-13!) USER MOD Single : D 19 LYS NZ :NH3+ 160:sc= -0.0839 (180deg=-0.403) USER MOD Single : D 24 LYS NZ :NH3+ 167:sc= 1.5 (180deg=1.21) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= -0.0966 USER MOD Single : D 31 MET CE :methyl 179:sc= -4.14! (180deg=-4.17!) USER MOD Single : D 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 37 LYS NZ :NH3+ -172:sc= -0.0144 (180deg=-0.111) USER MOD Single : D 39 THR OG1 : rot 180:sc= -2.95! USER MOD Single : D 40 SER OG : rot 30:sc= -1.73! USER MOD Single : D 41 SER OG : rot 180:sc= -0.0127 USER MOD Single : D 42 ASN :FLIP amide:sc= -15.3! C(o=-17!,f=-15!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc=-0.00705 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 139:sc= -1.68! (180deg=-4.55!) USER MOD Single : D 53 ASN :FLIP amide:sc= -0.0101 F(o=-2.9!,f=-0.01) USER MOD Single : D 59 ASN : amide:sc= -1.72 K(o=-1.7,f=-8.5!) USER MOD Single : D 62 LYS NZ :NH3+ -107:sc= -2.47! (180deg=-5.16!) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : D 67 ASN : amide:sc= -0.131 K(o=-0.13,f=-7.2!) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : D 76 SER OG : rot -150:sc=-0.00027 USER MOD Single : D 77 ASN :FLIP amide:sc= -0.546 F(o=-4.3!,f=-0.55) USER MOD Single : D 80 ASN :FLIP amide:sc=-0.00502 F(o=-1.5!,f=-0.005) USER MOD Single : D 81 LYS NZ :NH3+ -168:sc= -0.0313 (180deg=-0.209) USER MOD Single : D 85 LYS NZ :NH3+ -161:sc= -0.102 (180deg=-0.555) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -146:sc= 1.19 (180deg=-0.49) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.899 4.491 3.725 1.00 0.00 N ATOM 185 CA ILE D 13 6.113 3.476 4.412 1.00 0.00 C ATOM 186 C ILE D 13 5.121 4.095 5.386 1.00 0.00 C ATOM 187 O ILE D 13 4.148 3.468 5.805 1.00 0.00 O ATOM 188 CB ILE D 13 7.075 2.538 5.145 1.00 0.00 C ATOM 189 CG1 ILE D 13 8.020 1.914 4.136 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.341 1.465 5.937 1.00 0.00 C ATOM 191 CD1 ILE D 13 9.035 0.981 4.759 1.00 0.00 C ATOM 0 HA ILE D 13 5.528 2.920 3.679 1.00 0.00 H new ATOM 0 HB ILE D 13 7.641 3.123 5.870 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.438 1.364 3.396 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.545 2.707 3.603 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.065 0.824 6.439 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.698 1.937 6.680 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.734 0.864 5.260 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.678 0.571 3.980 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.642 1.531 5.478 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.517 0.168 5.268 1.00 0.00 H new ATOM 203 N ASN D 14 5.299 5.364 5.629 1.00 0.00 N ATOM 204 CA ASN D 14 4.334 6.128 6.417 1.00 0.00 C ATOM 205 C ASN D 14 3.357 6.861 5.502 1.00 0.00 C ATOM 206 O ASN D 14 2.140 6.771 5.669 1.00 0.00 O ATOM 207 CB ASN D 14 5.042 7.122 7.334 1.00 0.00 C ATOM 208 CG ASN D 14 5.922 6.431 8.354 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.449 5.623 9.153 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.209 6.737 8.331 1.00 0.00 N ATOM 0 H ASN D 14 6.099 5.903 5.299 1.00 0.00 H new ATOM 0 HA ASN D 14 3.776 5.426 7.037 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.648 7.800 6.733 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.299 7.731 7.850 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.850 6.298 8.992 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.561 7.412 7.652 1.00 0.00 H new ATOM 217 N SER D 15 3.903 7.581 4.525 1.00 0.00 N ATOM 218 CA SER D 15 3.103 8.331 3.573 1.00 0.00 C ATOM 219 C SER D 15 2.232 7.407 2.732 1.00 0.00 C ATOM 220 O SER D 15 1.172 7.815 2.270 1.00 0.00 O ATOM 221 CB SER D 15 3.983 9.182 2.661 1.00 0.00 C ATOM 222 OG SER D 15 4.888 8.378 1.917 1.00 0.00 O ATOM 0 H SER D 15 4.909 7.658 4.375 1.00 0.00 H new ATOM 0 HA SER D 15 2.455 8.991 4.149 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.355 9.754 1.977 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.541 9.902 3.260 1.00 0.00 H new ATOM 0 HG SER D 15 5.437 8.950 1.341 1.00 0.00 H new ATOM 228 N VAL D 16 2.653 6.143 2.585 1.00 0.00 N ATOM 229 CA VAL D 16 1.862 5.151 1.856 1.00 0.00 C ATOM 230 C VAL D 16 0.462 5.090 2.437 1.00 0.00 C ATOM 231 O VAL D 16 -0.521 4.924 1.718 1.00 0.00 O ATOM 232 CB VAL D 16 2.502 3.731 1.918 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.609 3.229 3.343 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.710 2.728 1.092 1.00 0.00 C ATOM 0 H VAL D 16 3.533 5.788 2.960 1.00 0.00 H new ATOM 0 HA VAL D 16 1.830 5.461 0.811 1.00 0.00 H new ATOM 0 HB VAL D 16 3.505 3.824 1.501 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.060 2.237 3.346 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.230 3.911 3.924 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.615 3.177 3.786 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.184 1.748 1.157 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.691 2.665 1.475 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.687 3.051 0.051 1.00 0.00 H new ATOM 244 N ASN D 17 0.397 5.220 3.750 1.00 0.00 N ATOM 245 CA ASN D 17 -0.855 5.151 4.463 1.00 0.00 C ATOM 246 C ASN D 17 -1.611 6.454 4.331 1.00 0.00 C ATOM 247 O ASN D 17 -2.817 6.477 4.428 1.00 0.00 O ATOM 248 CB ASN D 17 -0.606 4.818 5.930 1.00 0.00 C ATOM 249 CG ASN D 17 0.143 3.513 6.074 1.00 0.00 C ATOM 250 OD1 ASN D 17 -0.220 2.517 5.461 1.00 0.00 O ATOM 251 ND2 ASN D 17 1.178 3.499 6.902 1.00 0.00 N ATOM 0 H ASN D 17 1.210 5.376 4.345 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.464 4.359 4.027 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.036 5.621 6.396 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.557 4.755 6.458 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.704 2.637 7.047 1.00 0.00 H new ATOM 0 HD22 ASN D 17 1.449 4.350 7.394 1.00 0.00 H new ATOM 258 N ASP D 18 -0.905 7.529 4.037 1.00 0.00 N ATOM 259 CA ASP D 18 -1.538 8.819 3.810 1.00 0.00 C ATOM 260 C ASP D 18 -2.381 8.844 2.533 1.00 0.00 C ATOM 261 O ASP D 18 -3.308 9.646 2.425 1.00 0.00 O ATOM 262 CB ASP D 18 -0.471 9.908 3.744 1.00 0.00 C ATOM 263 CG ASP D 18 0.080 10.276 5.098 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.645 9.400 5.773 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.053 11.452 5.486 1.00 0.00 O1- ATOM 0 H ASP D 18 0.111 7.537 3.949 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.214 9.001 4.646 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.345 9.571 3.105 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.895 10.797 3.277 1.00 0.00 H new ATOM 270 N LYS D 19 -2.165 7.881 1.641 1.00 0.00 N ATOM 271 CA LYS D 19 -3.039 7.727 0.472 1.00 0.00 C ATOM 272 C LYS D 19 -4.135 6.772 0.816 1.00 0.00 C ATOM 273 O LYS D 19 -5.285 6.957 0.455 1.00 0.00 O ATOM 274 CB LYS D 19 -2.319 7.183 -0.763 1.00 0.00 C ATOM 275 CG LYS D 19 -1.265 8.118 -1.356 1.00 0.00 C ATOM 276 CD LYS D 19 -0.052 8.291 -0.468 1.00 0.00 C ATOM 277 CE LYS D 19 0.841 7.065 -0.501 1.00 0.00 C ATOM 278 NZ LYS D 19 1.455 6.851 -1.838 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.405 7.203 1.699 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.411 8.722 0.227 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -1.841 6.239 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.061 6.962 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.946 7.729 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.716 9.094 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.515 9.164 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.374 8.481 0.556 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.628 7.171 0.245 1.00 0.00 H new ATOM 0 HE3 LYS D 19 0.258 6.186 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.291 6.239 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.764 6.397 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.740 7.767 -2.240 1.00 0.00 H new ATOM 292 N LEU D 20 -3.734 5.718 1.478 1.00 0.00 N ATOM 293 CA LEU D 20 -4.633 4.664 1.853 1.00 0.00 C ATOM 294 C LEU D 20 -5.694 5.195 2.808 1.00 0.00 C ATOM 295 O LEU D 20 -6.882 4.895 2.696 1.00 0.00 O ATOM 296 CB LEU D 20 -3.820 3.594 2.543 1.00 0.00 C ATOM 297 CG LEU D 20 -2.690 2.998 1.698 1.00 0.00 C ATOM 298 CD1 LEU D 20 -1.873 2.008 2.510 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.252 2.329 0.455 1.00 0.00 C ATOM 0 H LEU D 20 -2.769 5.568 1.773 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.134 4.263 0.972 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.391 4.014 3.453 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.489 2.790 2.848 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.032 3.810 1.388 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.077 1.598 1.889 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.437 2.515 3.371 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.518 1.199 2.854 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.436 1.911 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -3.934 1.531 0.748 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -3.790 3.065 -0.142 1.00 0.00 H new ATOM 311 N ASN D 21 -5.234 6.034 3.717 1.00 0.00 N ATOM 312 CA ASN D 21 -6.082 6.696 4.686 1.00 0.00 C ATOM 313 C ASN D 21 -6.782 7.891 4.049 1.00 0.00 C ATOM 314 O ASN D 21 -6.148 8.920 3.816 1.00 0.00 O ATOM 315 CB ASN D 21 -5.239 7.163 5.881 1.00 0.00 C ATOM 316 CG ASN D 21 -4.904 6.043 6.847 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.795 5.421 7.424 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.623 5.773 7.037 1.00 0.00 N ATOM 0 H ASN D 21 -4.247 6.277 3.803 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.838 5.990 5.031 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.314 7.607 5.514 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.778 7.946 6.415 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.348 5.029 7.678 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.910 6.309 6.542 1.00 0.00 H new ATOM 325 N LYS D 22 -8.058 7.750 3.687 1.00 0.00 N ATOM 326 CA LYS D 22 -8.733 8.852 2.984 1.00 0.00 C ATOM 327 C LYS D 22 -9.986 9.375 3.679 1.00 0.00 C ATOM 328 O LYS D 22 -10.210 10.586 3.703 1.00 0.00 O ATOM 329 CB LYS D 22 -9.035 8.474 1.532 1.00 0.00 C ATOM 330 CG LYS D 22 -7.795 8.497 0.650 1.00 0.00 C ATOM 331 CD LYS D 22 -8.095 8.065 -0.774 1.00 0.00 C ATOM 332 CE LYS D 22 -6.876 8.199 -1.674 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.139 7.692 -3.048 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.629 6.922 3.857 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.024 9.679 3.003 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.477 7.478 1.504 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.776 9.163 1.128 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.376 9.503 0.642 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.037 7.839 1.075 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.436 7.030 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -8.910 8.669 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.576 9.246 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -6.042 7.649 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.253 7.691 -3.593 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.514 6.723 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -7.834 8.307 -3.518 1.00 0.00 H new ATOM 347 N GLY D 23 -10.817 8.496 4.210 1.00 0.00 N ATOM 348 CA GLY D 23 -12.026 8.952 4.839 1.00 0.00 C ATOM 349 C GLY D 23 -12.974 7.829 5.176 1.00 0.00 C ATOM 350 O GLY D 23 -12.873 7.246 6.259 1.00 0.00 O ATOM 0 H GLY D 23 -10.675 7.486 4.215 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.773 9.493 5.751 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.529 9.659 4.179 1.00 0.00 H new ATOM 354 N LYS D 24 -13.879 7.518 4.239 1.00 0.00 N ATOM 355 CA LYS D 24 -14.850 6.433 4.412 1.00 0.00 C ATOM 356 C LYS D 24 -14.129 5.197 4.892 1.00 0.00 C ATOM 357 O LYS D 24 -14.459 4.645 5.931 1.00 0.00 O ATOM 358 CB LYS D 24 -15.534 6.119 3.084 1.00 0.00 C ATOM 359 CG LYS D 24 -16.737 5.190 3.165 1.00 0.00 C ATOM 360 CD LYS D 24 -17.890 5.834 3.914 1.00 0.00 C ATOM 361 CE LYS D 24 -19.198 5.099 3.663 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.116 3.649 3.989 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.958 8.007 3.348 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.601 6.742 5.139 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.852 7.057 2.630 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.799 5.674 2.414 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -17.060 4.923 2.159 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.450 4.264 3.664 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.674 5.839 4.982 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.991 6.874 3.604 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.987 5.557 4.259 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.480 5.216 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -20.074 3.244 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.552 3.162 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.665 3.527 4.918 1.00 0.00 H new ATOM 376 N GLY D 25 -13.091 4.829 4.151 1.00 0.00 N ATOM 377 CA GLY D 25 -12.252 3.718 4.520 1.00 0.00 C ATOM 378 C GLY D 25 -10.805 3.975 4.231 1.00 0.00 C ATOM 379 O GLY D 25 -10.462 4.910 3.505 1.00 0.00 O ATOM 0 H GLY D 25 -12.816 5.294 3.286 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.376 3.510 5.583 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.575 2.827 3.981 1.00 0.00 H new ATOM 383 N LYS D 26 -9.969 3.301 4.987 1.00 0.00 N ATOM 384 CA LYS D 26 -8.552 3.607 5.007 1.00 0.00 C ATOM 385 C LYS D 26 -7.698 2.364 5.179 1.00 0.00 C ATOM 386 O LYS D 26 -8.189 1.316 5.592 1.00 0.00 O ATOM 387 CB LYS D 26 -8.332 4.556 6.138 1.00 0.00 C ATOM 388 CG LYS D 26 -9.154 4.137 7.307 1.00 0.00 C ATOM 389 CD LYS D 26 -9.236 5.199 8.393 1.00 0.00 C ATOM 390 CE LYS D 26 -9.851 6.493 7.878 1.00 0.00 C ATOM 391 NZ LYS D 26 -8.875 7.325 7.126 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.245 2.534 5.600 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.255 4.045 4.054 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.277 4.575 6.410 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.601 5.568 5.835 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.161 3.896 6.967 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.733 3.225 7.731 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.830 4.821 9.226 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.237 5.401 8.779 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.697 6.258 7.232 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.241 7.066 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -8.836 8.277 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -7.933 6.886 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.172 7.395 6.132 1.00 0.00 H new ATOM 405 N LEU D 27 -6.424 2.488 4.842 1.00 0.00 N ATOM 406 CA LEU D 27 -5.493 1.380 4.937 1.00 0.00 C ATOM 407 C LEU D 27 -4.170 1.813 5.577 1.00 0.00 C ATOM 408 O LEU D 27 -3.782 2.979 5.510 1.00 0.00 O ATOM 409 CB LEU D 27 -5.272 0.797 3.551 1.00 0.00 C ATOM 410 CG LEU D 27 -4.194 -0.278 3.431 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.513 -1.475 4.314 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.049 -0.725 1.987 1.00 0.00 C ATOM 0 H LEU D 27 -6.010 3.354 4.497 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.918 0.613 5.585 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.215 0.375 3.203 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.018 1.612 2.874 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.252 0.155 3.766 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.729 -2.224 4.208 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.571 -1.155 5.354 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.468 -1.905 4.013 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.277 -1.491 1.919 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.997 -1.133 1.635 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.769 0.128 1.368 1.00 0.00 H new ATOM 424 N SER D 28 -3.501 0.859 6.202 1.00 0.00 N ATOM 425 CA SER D 28 -2.233 1.084 6.870 1.00 0.00 C ATOM 426 C SER D 28 -1.335 -0.112 6.611 1.00 0.00 C ATOM 427 O SER D 28 -1.835 -1.215 6.405 1.00 0.00 O ATOM 428 CB SER D 28 -2.442 1.232 8.375 1.00 0.00 C ATOM 429 OG SER D 28 -1.259 1.684 9.023 1.00 0.00 O ATOM 0 H SER D 28 -3.828 -0.105 6.260 1.00 0.00 H new ATOM 0 HA SER D 28 -1.780 1.998 6.487 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.253 1.936 8.563 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.746 0.274 8.797 1.00 0.00 H new ATOM 0 HG SER D 28 -1.426 1.770 9.985 1.00 0.00 H new ATOM 435 N LEU D 29 -0.026 0.080 6.650 1.00 0.00 N ATOM 436 CA LEU D 29 0.888 -1.031 6.449 1.00 0.00 C ATOM 437 C LEU D 29 1.993 -1.011 7.493 1.00 0.00 C ATOM 438 O LEU D 29 2.317 0.042 8.046 1.00 0.00 O ATOM 439 CB LEU D 29 1.519 -0.987 5.067 1.00 0.00 C ATOM 440 CG LEU D 29 0.541 -0.799 3.915 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.291 -0.472 2.637 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.293 -2.046 3.708 1.00 0.00 C ATOM 0 H LEU D 29 0.422 0.981 6.816 1.00 0.00 H new ATOM 0 HA LEU D 29 0.306 -1.947 6.545 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.246 -0.175 5.042 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.071 -1.913 4.907 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.122 0.029 4.167 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.580 -0.340 1.821 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.860 0.447 2.774 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.972 -1.288 2.396 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.984 -1.888 2.880 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.361 -2.887 3.479 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.857 -2.261 4.616 1.00 0.00 H new ATOM 454 N SER D 30 2.616 -2.159 7.700 1.00 0.00 N ATOM 455 CA SER D 30 3.746 -2.271 8.608 1.00 0.00 C ATOM 456 C SER D 30 4.535 -3.532 8.273 1.00 0.00 C ATOM 457 O SER D 30 4.183 -4.255 7.343 1.00 0.00 O ATOM 458 CB SER D 30 3.255 -2.303 10.063 1.00 0.00 C ATOM 459 OG SER D 30 4.336 -2.363 10.983 1.00 0.00 O ATOM 0 H SER D 30 2.355 -3.035 7.247 1.00 0.00 H new ATOM 0 HA SER D 30 4.397 -1.405 8.492 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.655 -1.415 10.264 1.00 0.00 H new ATOM 0 HB3 SER D 30 2.605 -3.166 10.209 1.00 0.00 H new ATOM 0 HG SER D 30 3.986 -2.380 11.898 1.00 0.00 H new ATOM 465 N MET D 31 5.569 -3.819 9.045 1.00 0.00 N ATOM 466 CA MET D 31 6.354 -5.024 8.838 1.00 0.00 C ATOM 467 C MET D 31 6.953 -5.515 10.145 1.00 0.00 C ATOM 468 O MET D 31 7.099 -4.749 11.101 1.00 0.00 O ATOM 469 CB MET D 31 7.476 -4.808 7.814 1.00 0.00 C ATOM 470 CG MET D 31 8.506 -3.751 8.200 1.00 0.00 C ATOM 471 SD MET D 31 7.840 -2.075 8.199 1.00 0.00 S ATOM 472 CE MET D 31 7.311 -1.927 6.495 1.00 0.00 C ATOM 0 H MET D 31 5.884 -3.235 9.820 1.00 0.00 H new ATOM 0 HA MET D 31 5.671 -5.778 8.447 1.00 0.00 H new ATOM 0 HB2 MET D 31 7.991 -5.756 7.657 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.028 -4.527 6.861 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.897 -3.979 9.192 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.346 -3.802 7.507 1.00 0.00 H new ATOM 0 HE1 MET D 31 6.859 -0.948 6.338 1.00 0.00 H new ATOM 0 HE2 MET D 31 8.172 -2.039 5.836 1.00 0.00 H new ATOM 0 HE3 MET D 31 6.580 -2.704 6.272 1.00 0.00 H new ATOM 482 N ASN D 32 7.385 -6.766 10.141 1.00 0.00 N ATOM 483 CA ASN D 32 8.074 -7.347 11.284 1.00 0.00 C ATOM 484 C ASN D 32 9.150 -8.300 10.785 1.00 0.00 C ATOM 485 O ASN D 32 8.868 -9.458 10.485 1.00 0.00 O ATOM 486 CB ASN D 32 7.086 -8.097 12.180 1.00 0.00 C ATOM 487 CG ASN D 32 7.745 -8.639 13.432 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.314 -7.886 14.223 1.00 0.00 O ATOM 489 ND2 ASN D 32 7.673 -9.948 13.623 1.00 0.00 N ATOM 0 H ASN D 32 7.270 -7.403 9.353 1.00 0.00 H new ATOM 0 HA ASN D 32 8.532 -6.550 11.870 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.273 -7.428 12.460 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.643 -8.920 11.620 1.00 0.00 H new ATOM 0 HD21 ASN D 32 8.098 -10.367 14.450 1.00 0.00 H new ATOM 0 HD22 ASN D 32 7.192 -10.537 12.943 1.00 0.00 H new ATOM 496 N GLY D 33 10.339 -7.768 10.545 1.00 0.00 N ATOM 497 CA GLY D 33 11.378 -8.558 9.905 1.00 0.00 C ATOM 498 C GLY D 33 11.109 -8.709 8.423 1.00 0.00 C ATOM 499 O GLY D 33 11.023 -7.717 7.698 1.00 0.00 O ATOM 0 H GLY D 33 10.605 -6.811 10.779 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.347 -8.082 10.056 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.431 -9.542 10.371 1.00 0.00 H new ATOM 503 N ASN D 34 10.867 -9.937 7.988 1.00 0.00 N ATOM 504 CA ASN D 34 10.487 -10.193 6.603 1.00 0.00 C ATOM 505 C ASN D 34 8.973 -10.283 6.462 1.00 0.00 C ATOM 506 O ASN D 34 8.460 -10.802 5.471 1.00 0.00 O ATOM 507 CB ASN D 34 11.147 -11.475 6.095 1.00 0.00 C ATOM 508 CG ASN D 34 12.654 -11.345 6.013 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.175 -10.557 5.224 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.361 -12.085 6.849 1.00 0.00 N ATOM 0 H ASN D 34 10.926 -10.772 8.571 1.00 0.00 H new ATOM 0 HA ASN D 34 10.836 -9.358 5.996 1.00 0.00 H new ATOM 0 HB2 ASN D 34 10.890 -12.302 6.757 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.750 -11.721 5.110 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.379 -12.015 6.856 1.00 0.00 H new ATOM 0 HD22 ASN D 34 12.889 -12.726 7.487 1.00 0.00 H new ATOM 517 N GLN D 35 8.265 -9.717 7.432 1.00 0.00 N ATOM 518 CA GLN D 35 6.810 -9.672 7.392 1.00 0.00 C ATOM 519 C GLN D 35 6.303 -8.449 6.673 1.00 0.00 C ATOM 520 O GLN D 35 6.926 -7.395 6.693 1.00 0.00 O ATOM 521 CB GLN D 35 6.219 -9.698 8.797 1.00 0.00 C ATOM 522 CG GLN D 35 6.173 -11.081 9.404 1.00 0.00 C ATOM 523 CD GLN D 35 5.199 -11.993 8.689 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.335 -12.251 7.495 1.00 0.00 O ATOM 525 NE2 GLN D 35 4.203 -12.477 9.409 1.00 0.00 N ATOM 0 H GLN D 35 8.677 -9.282 8.258 1.00 0.00 H new ATOM 0 HA GLN D 35 6.491 -10.559 6.844 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.807 -9.046 9.442 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.209 -9.289 8.766 1.00 0.00 H new ATOM 0 HG2 GLN D 35 7.169 -11.522 9.373 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.891 -11.005 10.454 1.00 0.00 H new ATOM 0 HE21 GLN D 35 4.126 -12.239 10.398 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.511 -13.089 8.976 1.00 0.00 H new ATOM 534 N LEU D 36 5.123 -8.588 6.113 1.00 0.00 N ATOM 535 CA LEU D 36 4.445 -7.485 5.458 1.00 0.00 C ATOM 536 C LEU D 36 2.995 -7.435 5.878 1.00 0.00 C ATOM 537 O LEU D 36 2.291 -8.445 5.844 1.00 0.00 O ATOM 538 CB LEU D 36 4.645 -7.593 3.944 1.00 0.00 C ATOM 539 CG LEU D 36 3.807 -6.685 3.009 1.00 0.00 C ATOM 540 CD1 LEU D 36 2.346 -7.104 2.963 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.901 -5.222 3.415 1.00 0.00 C ATOM 0 H LEU D 36 4.604 -9.466 6.097 1.00 0.00 H new ATOM 0 HA LEU D 36 4.877 -6.533 5.768 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.697 -7.398 3.736 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.451 -8.627 3.659 1.00 0.00 H new ATOM 0 HG LEU D 36 4.232 -6.804 2.012 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.798 -6.439 2.295 1.00 0.00 H new ATOM 0 HD12 LEU D 36 2.272 -8.128 2.596 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.919 -7.046 3.964 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.300 -4.617 2.736 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.530 -5.102 4.433 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.940 -4.897 3.367 1.00 0.00 H new ATOM 553 N LYS D 37 2.635 -6.319 6.479 1.00 0.00 N ATOM 554 CA LYS D 37 1.364 -6.193 7.147 1.00 0.00 C ATOM 555 C LYS D 37 0.546 -5.048 6.619 1.00 0.00 C ATOM 556 O LYS D 37 1.064 -4.069 6.089 1.00 0.00 O ATOM 557 CB LYS D 37 1.618 -5.992 8.627 1.00 0.00 C ATOM 558 CG LYS D 37 2.509 -7.071 9.195 1.00 0.00 C ATOM 559 CD LYS D 37 1.874 -8.450 9.098 1.00 0.00 C ATOM 560 CE LYS D 37 0.565 -8.565 9.873 1.00 0.00 C ATOM 561 NZ LYS D 37 0.726 -8.193 11.306 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.215 -5.480 6.516 1.00 0.00 H new ATOM 0 HA LYS D 37 0.794 -7.104 6.964 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.080 -5.018 8.787 1.00 0.00 H new ATOM 0 HB3 LYS D 37 0.668 -5.987 9.161 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.460 -7.072 8.662 1.00 0.00 H new ATOM 0 HG3 LYS D 37 2.729 -6.846 10.239 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.690 -8.685 8.050 1.00 0.00 H new ATOM 0 HD3 LYS D 37 2.577 -9.194 9.473 1.00 0.00 H new ATOM 0 HE2 LYS D 37 -0.185 -7.921 9.414 1.00 0.00 H new ATOM 0 HE3 LYS D 37 0.192 -9.587 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 -0.149 -8.414 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.516 -8.730 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 0.924 -7.175 11.380 1.00 0.00 H new ATOM 575 N ALA D 38 -0.736 -5.183 6.844 1.00 0.00 N ATOM 576 CA ALA D 38 -1.710 -4.167 6.479 1.00 0.00 C ATOM 577 C ALA D 38 -2.885 -4.159 7.438 1.00 0.00 C ATOM 578 O ALA D 38 -3.267 -5.195 7.984 1.00 0.00 O ATOM 579 CB ALA D 38 -2.210 -4.402 5.069 1.00 0.00 C ATOM 0 H ALA D 38 -1.144 -6.005 7.289 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.213 -3.198 6.534 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.939 -3.634 4.809 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.372 -4.358 4.374 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.680 -5.384 5.008 1.00 0.00 H new ATOM 585 N THR D 39 -3.496 -2.993 7.567 1.00 0.00 N ATOM 586 CA THR D 39 -4.688 -2.813 8.372 1.00 0.00 C ATOM 587 C THR D 39 -5.603 -1.773 7.733 1.00 0.00 C ATOM 588 O THR D 39 -5.162 -0.697 7.371 1.00 0.00 O ATOM 589 CB THR D 39 -4.315 -2.380 9.795 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.385 -1.309 9.772 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.729 -3.488 10.645 1.00 0.00 C ATOM 0 H THR D 39 -3.174 -2.139 7.111 1.00 0.00 H new ATOM 0 HA THR D 39 -5.216 -3.765 8.424 1.00 0.00 H new ATOM 0 HB THR D 39 -5.259 -2.074 10.247 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.163 -1.049 10.690 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.492 -3.100 11.636 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.452 -4.298 10.736 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.820 -3.864 10.176 1.00 0.00 H new ATOM 599 N SER D 40 -6.890 -2.029 7.747 1.00 0.00 N ATOM 600 CA SER D 40 -7.862 -1.040 7.326 1.00 0.00 C ATOM 601 C SER D 40 -8.536 -0.519 8.556 1.00 0.00 C ATOM 602 O SER D 40 -9.069 -1.290 9.358 1.00 0.00 O ATOM 603 CB SER D 40 -8.898 -1.659 6.400 1.00 0.00 C ATOM 604 OG SER D 40 -9.482 -2.814 6.983 1.00 0.00 O ATOM 0 H SER D 40 -7.292 -2.917 8.046 1.00 0.00 H new ATOM 0 HA SER D 40 -7.364 -0.238 6.781 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.675 -0.927 6.179 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.430 -1.924 5.452 1.00 0.00 H new ATOM 0 HG SER D 40 -9.480 -2.724 7.959 1.00 0.00 H new ATOM 610 N SER D 41 -8.573 0.775 8.686 1.00 0.00 N ATOM 611 CA SER D 41 -9.262 1.350 9.809 1.00 0.00 C ATOM 612 C SER D 41 -10.678 1.617 9.361 1.00 0.00 C ATOM 613 O SER D 41 -10.959 1.444 8.176 1.00 0.00 O ATOM 614 CB SER D 41 -8.564 2.621 10.306 1.00 0.00 C ATOM 615 OG SER D 41 -9.248 3.203 11.408 1.00 0.00 O ATOM 0 H SER D 41 -8.145 1.442 8.044 1.00 0.00 H new ATOM 0 HA SER D 41 -9.258 0.667 10.658 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.541 2.383 10.598 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.504 3.344 9.493 1.00 0.00 H new ATOM 0 HG SER D 41 -8.773 4.010 11.699 1.00 0.00 H new ATOM 621 N ASN D 42 -11.576 1.810 10.335 1.00 0.00 N ATOM 622 CA ASN D 42 -13.039 1.860 10.131 1.00 0.00 C ATOM 623 C ASN D 42 -13.594 0.518 9.643 1.00 0.00 C ATOM 624 O ASN D 42 -14.810 0.329 9.597 1.00 0.00 O ATOM 625 CB ASN D 42 -13.491 3.032 9.236 1.00 0.00 C ATOM 626 CG ASN D 42 -13.074 2.937 7.801 1.00 0.00 C ATOM 627 OD1 ASN D 42 -12.272 3.908 7.402 1.00 0.00 O flip ATOM 628 ND2 ASN D 42 -13.441 2.017 7.072 1.00 0.00 N flip ATOM 0 H ASN D 42 -11.305 1.939 11.310 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.471 2.054 11.113 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.578 3.102 9.278 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -13.096 3.959 9.652 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -14.062 1.294 7.436 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -13.125 1.977 6.103 1.00 0.00 H new ATOM 635 N ALA D 43 -12.697 -0.468 9.564 1.00 0.00 N ATOM 636 CA ALA D 43 -13.064 -1.878 9.416 1.00 0.00 C ATOM 637 C ALA D 43 -14.017 -2.188 8.254 1.00 0.00 C ATOM 638 O ALA D 43 -15.032 -2.854 8.469 1.00 0.00 O ATOM 639 CB ALA D 43 -13.657 -2.398 10.717 1.00 0.00 C ATOM 0 H ALA D 43 -11.690 -0.309 9.601 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.133 -2.391 9.173 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.928 -3.447 10.600 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -12.923 -2.300 11.516 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.546 -1.820 10.968 1.00 0.00 H new ATOM 645 N GLY D 44 -13.598 -1.951 7.010 1.00 0.00 N ATOM 646 CA GLY D 44 -14.364 -2.501 5.916 1.00 0.00 C ATOM 647 C GLY D 44 -14.801 -1.521 4.857 1.00 0.00 C ATOM 648 O GLY D 44 -15.251 -1.933 3.796 1.00 0.00 O ATOM 0 H GLY D 44 -12.774 -1.409 6.752 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.770 -3.281 5.439 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.252 -2.982 6.326 1.00 0.00 H new ATOM 652 N TYR D 45 -14.748 -0.244 5.144 1.00 0.00 N ATOM 653 CA TYR D 45 -15.220 0.753 4.189 1.00 0.00 C ATOM 654 C TYR D 45 -14.177 0.989 3.094 1.00 0.00 C ATOM 655 O TYR D 45 -12.975 0.871 3.335 1.00 0.00 O ATOM 656 CB TYR D 45 -15.523 2.076 4.896 1.00 0.00 C ATOM 657 CG TYR D 45 -16.638 2.022 5.934 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.234 3.193 6.388 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.102 0.817 6.449 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.248 3.163 7.322 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.116 0.780 7.382 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.685 1.956 7.816 1.00 0.00 C ATOM 663 OH TYR D 45 -19.693 1.927 8.749 1.00 0.00 O ATOM 0 H TYR D 45 -14.388 0.137 6.019 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.135 0.373 3.734 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.613 2.425 5.383 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.786 2.819 4.143 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.897 4.144 6.002 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.659 -0.108 6.111 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.697 4.084 7.664 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.462 -0.166 7.770 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.885 0.998 8.994 1.00 0.00 H new ATOM 673 N GLY D 46 -14.637 1.459 1.940 1.00 0.00 N ATOM 674 CA GLY D 46 -13.723 1.875 0.885 1.00 0.00 C ATOM 675 C GLY D 46 -13.516 3.368 0.940 1.00 0.00 C ATOM 676 O GLY D 46 -14.016 3.999 1.852 1.00 0.00 O ATOM 0 H GLY D 46 -15.626 1.561 1.713 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.767 1.363 0.998 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.124 1.591 -0.088 1.00 0.00 H new ATOM 680 N ILE D 47 -12.824 3.937 -0.039 1.00 0.00 N ATOM 681 CA ILE D 47 -12.600 5.388 -0.097 1.00 0.00 C ATOM 682 C ILE D 47 -13.885 6.138 0.113 1.00 0.00 C ATOM 683 O ILE D 47 -13.974 7.063 0.923 1.00 0.00 O ATOM 684 CB ILE D 47 -12.124 5.806 -1.471 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.952 4.976 -1.883 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.761 7.283 -1.499 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.762 5.081 -0.956 1.00 0.00 C ATOM 0 H ILE D 47 -12.404 3.418 -0.810 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.865 5.613 0.676 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.939 5.646 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.262 3.933 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.645 5.273 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.422 7.556 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.636 7.878 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.964 7.475 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.955 4.448 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.422 6.116 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.049 4.754 0.043 1.00 0.00 H new ATOM 699 N SER D 48 -14.815 5.798 -0.752 1.00 0.00 N ATOM 700 CA SER D 48 -16.095 6.464 -0.852 1.00 0.00 C ATOM 701 C SER D 48 -16.898 5.779 -1.949 1.00 0.00 C ATOM 702 O SER D 48 -16.613 4.625 -2.283 1.00 0.00 O ATOM 703 CB SER D 48 -15.875 7.943 -1.168 1.00 0.00 C ATOM 704 OG SER D 48 -15.189 8.108 -2.401 1.00 0.00 O ATOM 0 H SER D 48 -14.700 5.035 -1.419 1.00 0.00 H new ATOM 0 HA SER D 48 -16.644 6.401 0.088 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.836 8.455 -1.212 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.303 8.408 -0.365 1.00 0.00 H new ATOM 0 HG SER D 48 -15.063 9.063 -2.580 1.00 0.00 H new ATOM 710 N TYR D 49 -17.728 6.526 -2.655 1.00 0.00 N ATOM 711 CA TYR D 49 -18.327 5.996 -3.866 1.00 0.00 C ATOM 712 C TYR D 49 -17.532 6.471 -5.065 1.00 0.00 C ATOM 713 O TYR D 49 -17.952 7.377 -5.784 1.00 0.00 O ATOM 714 CB TYR D 49 -19.789 6.420 -4.017 1.00 0.00 C ATOM 715 CG TYR D 49 -20.753 5.741 -3.033 1.00 0.00 C ATOM 716 CD1 TYR D 49 -22.036 5.311 -3.411 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.369 5.520 -1.712 1.00 0.00 C ATOM 718 CE1 TYR D 49 -22.879 4.695 -2.504 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.213 4.905 -0.807 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.464 4.495 -1.207 1.00 0.00 C ATOM 721 OH TYR D 49 -23.302 3.880 -0.305 1.00 0.00 O ATOM 0 H TYR D 49 -17.998 7.481 -2.418 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.306 4.908 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.857 7.500 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -20.114 6.202 -5.034 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -22.370 5.464 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.389 5.837 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -23.862 4.371 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -20.891 4.747 0.212 1.00 0.00 H new ATOM 0 HH TYR D 49 -22.855 3.816 0.565 1.00 0.00 H new ATOM 731 N GLU D 50 -16.372 5.861 -5.259 1.00 0.00 N ATOM 732 CA GLU D 50 -15.489 6.223 -6.354 1.00 0.00 C ATOM 733 C GLU D 50 -14.780 5.010 -6.922 1.00 0.00 C ATOM 734 O GLU D 50 -14.996 3.885 -6.469 1.00 0.00 O ATOM 735 CB GLU D 50 -14.435 7.226 -5.900 1.00 0.00 C ATOM 736 CG GLU D 50 -14.955 8.625 -5.660 1.00 0.00 C ATOM 737 CD GLU D 50 -15.608 9.251 -6.873 1.00 0.00 C ATOM 738 OE1 GLU D 50 -16.084 10.395 -6.755 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.636 8.615 -7.945 1.00 0.00 O1- ATOM 0 H GLU D 50 -16.020 5.108 -4.667 1.00 0.00 H new ATOM 0 HA GLU D 50 -16.117 6.669 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.978 6.860 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.647 7.270 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.677 8.599 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -14.129 9.259 -5.336 1.00 0.00 H new ATOM 746 N ASP D 51 -13.836 5.264 -7.829 1.00 0.00 N ATOM 747 CA ASP D 51 -12.991 4.194 -8.355 1.00 0.00 C ATOM 748 C ASP D 51 -11.539 4.640 -8.383 1.00 0.00 C ATOM 749 O ASP D 51 -11.200 5.652 -8.996 1.00 0.00 O ATOM 750 CB ASP D 51 -13.414 3.758 -9.760 1.00 0.00 C ATOM 751 CG ASP D 51 -14.906 3.567 -9.908 1.00 0.00 C ATOM 752 OD1 ASP D 51 -15.481 2.753 -9.169 1.00 0.00 O ATOM 753 OD2 ASP D 51 -15.502 4.223 -10.783 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.639 6.189 -8.210 1.00 0.00 H new ATOM 0 HA ASP D 51 -13.108 3.339 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.078 4.504 -10.480 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.910 2.824 -10.009 1.00 0.00 H new ATOM 758 N LYS D 52 -10.689 3.916 -7.665 1.00 0.00 N ATOM 759 CA LYS D 52 -9.283 4.270 -7.555 1.00 0.00 C ATOM 760 C LYS D 52 -8.418 3.028 -7.622 1.00 0.00 C ATOM 761 O LYS D 52 -8.717 2.026 -6.989 1.00 0.00 O ATOM 762 CB LYS D 52 -8.972 5.087 -6.287 1.00 0.00 C ATOM 763 CG LYS D 52 -10.078 5.162 -5.248 1.00 0.00 C ATOM 764 CD LYS D 52 -11.306 5.982 -5.646 1.00 0.00 C ATOM 765 CE LYS D 52 -10.987 7.444 -5.969 1.00 0.00 C ATOM 766 NZ LYS D 52 -10.204 7.611 -7.225 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.953 3.077 -7.149 1.00 0.00 H new ATOM 0 HA LYS D 52 -9.049 4.913 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.087 4.662 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -8.716 6.103 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -10.401 4.148 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -9.663 5.584 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -11.775 5.520 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -12.034 5.948 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.919 8.002 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -10.429 7.879 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.568 8.429 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.203 7.767 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -10.294 6.754 -7.807 1.00 0.00 H new ATOM 780 N ASN D 53 -7.405 3.061 -8.470 1.00 0.00 N ATOM 781 CA ASN D 53 -6.562 1.894 -8.692 1.00 0.00 C ATOM 782 C ASN D 53 -5.182 2.106 -8.114 1.00 0.00 C ATOM 783 O ASN D 53 -4.656 3.223 -8.117 1.00 0.00 O ATOM 784 CB ASN D 53 -6.462 1.549 -10.180 1.00 0.00 C ATOM 785 CG ASN D 53 -7.772 1.056 -10.775 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.834 1.018 -9.976 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.835 0.720 -11.958 1.00 0.00 N flip ATOM 0 H ASN D 53 -7.144 3.882 -9.017 1.00 0.00 H new ATOM 0 HA ASN D 53 -7.031 1.054 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -6.132 2.431 -10.728 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.698 0.784 -10.317 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -7.002 0.761 -12.545 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.721 0.401 -12.351 1.00 0.00 H new ATOM 794 N TRP D 54 -4.626 1.044 -7.564 1.00 0.00 N ATOM 795 CA TRP D 54 -3.336 1.117 -6.914 1.00 0.00 C ATOM 796 C TRP D 54 -2.333 0.151 -7.494 1.00 0.00 C ATOM 797 O TRP D 54 -2.696 -0.877 -8.067 1.00 0.00 O ATOM 798 CB TRP D 54 -3.464 0.842 -5.428 1.00 0.00 C ATOM 799 CG TRP D 54 -3.337 2.071 -4.610 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.114 3.188 -4.633 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.306 2.311 -3.680 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.605 4.117 -3.754 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.488 3.592 -3.162 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.237 1.553 -3.235 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.619 4.125 -2.225 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.398 2.090 -2.301 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.586 3.365 -1.810 1.00 0.00 C ATOM 0 H TRP D 54 -5.051 0.117 -7.556 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.974 2.131 -7.084 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.429 0.376 -5.230 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.697 0.128 -5.127 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -4.993 3.324 -5.245 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.995 5.042 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.070 0.557 -3.619 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.765 5.122 -1.837 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.432 1.502 -1.938 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.106 3.761 -1.081 1.00 0.00 H new ATOM 818 N GLY D 55 -1.064 0.436 -7.237 1.00 0.00 N ATOM 819 CA GLY D 55 -0.019 -0.466 -7.638 1.00 0.00 C ATOM 820 C GLY D 55 1.059 -0.627 -6.585 1.00 0.00 C ATOM 821 O GLY D 55 1.230 0.208 -5.696 1.00 0.00 O ATOM 0 H GLY D 55 -0.746 1.278 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.453 -1.441 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.433 -0.103 -8.561 1.00 0.00 H new ATOM 825 N ILE D 56 1.788 -1.705 -6.738 1.00 0.00 N ATOM 826 CA ILE D 56 2.909 -2.084 -5.886 1.00 0.00 C ATOM 827 C ILE D 56 3.990 -2.654 -6.790 1.00 0.00 C ATOM 828 O ILE D 56 3.739 -3.628 -7.495 1.00 0.00 O ATOM 829 CB ILE D 56 2.467 -3.161 -4.865 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.429 -2.600 -3.889 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.659 -3.710 -4.098 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.821 -3.661 -3.002 1.00 0.00 C ATOM 0 H ILE D 56 1.617 -2.375 -7.487 1.00 0.00 H new ATOM 0 HA ILE D 56 3.275 -1.220 -5.332 1.00 0.00 H new ATOM 0 HB ILE D 56 2.011 -3.976 -5.427 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.898 -1.838 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.637 -2.107 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.319 -4.464 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.365 -4.161 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.149 -2.899 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.093 -3.202 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.325 -4.410 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.606 -4.137 -2.414 1.00 0.00 H new ATOM 844 N PHE D 57 5.090 -1.936 -6.955 1.00 0.00 N ATOM 845 CA PHE D 57 6.041 -2.304 -7.996 1.00 0.00 C ATOM 846 C PHE D 57 7.309 -2.904 -7.412 1.00 0.00 C ATOM 847 O PHE D 57 8.229 -2.178 -7.039 1.00 0.00 O ATOM 848 CB PHE D 57 6.405 -1.108 -8.890 1.00 0.00 C ATOM 849 CG PHE D 57 5.212 -0.376 -9.450 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.437 0.445 -8.644 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.848 -0.534 -10.774 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.329 1.088 -9.145 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.739 0.114 -11.284 1.00 0.00 C ATOM 854 CZ PHE D 57 2.978 0.925 -10.468 1.00 0.00 C ATOM 0 H PHE D 57 5.344 -1.118 -6.400 1.00 0.00 H new ATOM 0 HA PHE D 57 5.545 -3.057 -8.608 1.00 0.00 H new ATOM 0 HB2 PHE D 57 7.010 -0.408 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE D 57 7.023 -1.460 -9.716 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.708 0.581 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.437 -1.171 -11.417 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.734 1.720 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.468 -0.015 -12.322 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.110 1.431 -10.864 1.00 0.00 H new ATOM 864 N VAL D 58 7.399 -4.225 -7.464 1.00 0.00 N ATOM 865 CA VAL D 58 8.611 -4.933 -7.077 1.00 0.00 C ATOM 866 C VAL D 58 9.461 -5.200 -8.316 1.00 0.00 C ATOM 867 O VAL D 58 8.977 -5.796 -9.274 1.00 0.00 O ATOM 868 CB VAL D 58 8.282 -6.268 -6.370 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.545 -7.038 -6.026 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.479 -6.012 -5.109 1.00 0.00 C ATOM 0 H VAL D 58 6.640 -4.833 -7.773 1.00 0.00 H new ATOM 0 HA VAL D 58 9.163 -4.308 -6.375 1.00 0.00 H new ATOM 0 HB VAL D 58 7.691 -6.871 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.278 -7.971 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.098 -7.257 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.167 -6.439 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.255 -6.961 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.057 -5.384 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.548 -5.507 -5.367 1.00 0.00 H new ATOM 880 N ASN D 59 10.684 -4.667 -8.328 1.00 0.00 N ATOM 881 CA ASN D 59 11.569 -4.753 -9.500 1.00 0.00 C ATOM 882 C ASN D 59 10.969 -4.004 -10.688 1.00 0.00 C ATOM 883 O ASN D 59 11.173 -4.379 -11.847 1.00 0.00 O ATOM 884 CB ASN D 59 11.862 -6.208 -9.892 1.00 0.00 C ATOM 885 CG ASN D 59 12.651 -6.958 -8.839 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.217 -7.094 -7.697 1.00 0.00 O ATOM 887 ND2 ASN D 59 13.817 -7.456 -9.219 1.00 0.00 N ATOM 0 H ASN D 59 11.089 -4.168 -7.536 1.00 0.00 H new ATOM 0 HA ASN D 59 12.513 -4.284 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN D 59 10.920 -6.727 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.416 -6.221 -10.831 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.391 -7.975 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.142 -7.321 -10.177 1.00 0.00 H new ATOM 894 N GLY D 60 10.298 -2.899 -10.384 1.00 0.00 N ATOM 895 CA GLY D 60 9.743 -2.029 -11.404 1.00 0.00 C ATOM 896 C GLY D 60 8.663 -2.663 -12.246 1.00 0.00 C ATOM 897 O GLY D 60 8.447 -2.270 -13.392 1.00 0.00 O ATOM 0 H GLY D 60 10.126 -2.586 -9.429 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.336 -1.139 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.549 -1.697 -12.059 1.00 0.00 H new ATOM 901 N GLU D 61 7.880 -3.515 -11.627 1.00 0.00 N ATOM 902 CA GLU D 61 6.700 -4.064 -12.259 1.00 0.00 C ATOM 903 C GLU D 61 5.560 -4.108 -11.257 1.00 0.00 C ATOM 904 O GLU D 61 5.789 -4.296 -10.062 1.00 0.00 O ATOM 905 CB GLU D 61 6.974 -5.459 -12.810 1.00 0.00 C ATOM 906 CG GLU D 61 7.402 -6.468 -11.761 1.00 0.00 C ATOM 907 CD GLU D 61 7.636 -7.837 -12.343 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.690 -8.408 -12.916 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.765 -8.345 -12.225 1.00 0.00 O1- ATOM 0 H GLU D 61 8.040 -3.847 -10.676 1.00 0.00 H new ATOM 0 HA GLU D 61 6.422 -3.422 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU D 61 6.075 -5.825 -13.305 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.751 -5.391 -13.571 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.315 -6.121 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.636 -6.531 -10.988 1.00 0.00 H new ATOM 916 N LYS D 62 4.345 -3.889 -11.728 1.00 0.00 N ATOM 917 CA LYS D 62 3.194 -3.861 -10.843 1.00 0.00 C ATOM 918 C LYS D 62 2.840 -5.289 -10.438 1.00 0.00 C ATOM 919 O LYS D 62 2.299 -6.051 -11.237 1.00 0.00 O ATOM 920 CB LYS D 62 2.012 -3.193 -11.547 1.00 0.00 C ATOM 921 CG LYS D 62 0.886 -2.784 -10.612 1.00 0.00 C ATOM 922 CD LYS D 62 -0.314 -2.184 -11.350 1.00 0.00 C ATOM 923 CE LYS D 62 0.023 -0.947 -12.188 1.00 0.00 C ATOM 924 NZ LYS D 62 0.849 -1.255 -13.390 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.130 -3.729 -12.712 1.00 0.00 H new ATOM 0 HA LYS D 62 3.430 -3.285 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.370 -2.310 -12.076 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.616 -3.877 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.558 -3.655 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.264 -2.058 -9.893 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.744 -2.945 -12.001 1.00 0.00 H new ATOM 0 HD3 LYS D 62 -1.080 -1.918 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -0.904 -0.469 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS D 62 0.555 -0.229 -11.565 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 1.822 -0.921 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.857 -2.282 -13.552 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.445 -0.777 -14.221 1.00 0.00 H new ATOM 938 N VAL D 63 3.273 -5.680 -9.249 1.00 0.00 N ATOM 939 CA VAL D 63 3.132 -7.057 -8.807 1.00 0.00 C ATOM 940 C VAL D 63 1.756 -7.311 -8.187 1.00 0.00 C ATOM 941 O VAL D 63 1.163 -8.372 -8.391 1.00 0.00 O ATOM 942 CB VAL D 63 4.261 -7.433 -7.832 1.00 0.00 C ATOM 943 CG1 VAL D 63 4.253 -6.557 -6.589 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.205 -8.902 -7.454 1.00 0.00 C ATOM 0 H VAL D 63 3.725 -5.063 -8.574 1.00 0.00 H new ATOM 0 HA VAL D 63 3.213 -7.699 -9.684 1.00 0.00 H new ATOM 0 HB VAL D 63 5.200 -7.255 -8.356 1.00 0.00 H new ATOM 0 HG11 VAL D 63 5.066 -6.856 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.385 -5.514 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL D 63 3.302 -6.672 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL D 63 5.017 -9.131 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.250 -9.118 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.307 -9.513 -8.351 1.00 0.00 H new ATOM 954 N TYR D 64 1.205 -6.301 -7.520 1.00 0.00 N ATOM 955 CA TYR D 64 -0.148 -6.399 -6.986 1.00 0.00 C ATOM 956 C TYR D 64 -0.928 -5.122 -7.266 1.00 0.00 C ATOM 957 O TYR D 64 -0.459 -4.017 -6.981 1.00 0.00 O ATOM 958 CB TYR D 64 -0.141 -6.687 -5.478 1.00 0.00 C ATOM 959 CG TYR D 64 -1.534 -6.860 -4.893 1.00 0.00 C ATOM 960 CD1 TYR D 64 -1.897 -6.257 -3.692 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.494 -7.621 -5.553 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.168 -6.408 -3.171 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.765 -7.776 -5.036 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.098 -7.167 -3.846 1.00 0.00 C ATOM 965 OH TYR D 64 -5.364 -7.316 -3.329 1.00 0.00 O ATOM 0 H TYR D 64 1.671 -5.412 -7.338 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.636 -7.234 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.439 -7.590 -5.290 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.364 -5.871 -4.961 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.172 -5.660 -3.158 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.240 -8.099 -6.487 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.431 -5.932 -2.238 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.495 -8.372 -5.563 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.897 -7.880 -3.927 1.00 0.00 H new ATOM 975 N THR D 65 -2.134 -5.290 -7.786 1.00 0.00 N ATOM 976 CA THR D 65 -3.016 -4.174 -8.061 1.00 0.00 C ATOM 977 C THR D 65 -4.259 -4.276 -7.190 1.00 0.00 C ATOM 978 O THR D 65 -5.099 -5.152 -7.403 1.00 0.00 O ATOM 979 CB THR D 65 -3.416 -4.174 -9.516 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.280 -4.254 -10.358 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.206 -2.948 -9.935 1.00 0.00 C ATOM 0 H THR D 65 -2.525 -6.201 -8.027 1.00 0.00 H new ATOM 0 HA THR D 65 -2.491 -3.245 -7.837 1.00 0.00 H new ATOM 0 HB THR D 65 -4.054 -5.051 -9.625 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.567 -4.254 -11.295 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.457 -3.021 -10.993 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.123 -2.888 -9.348 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.607 -2.053 -9.765 1.00 0.00 H new ATOM 989 N PHE D 66 -4.429 -3.339 -6.274 1.00 0.00 N ATOM 990 CA PHE D 66 -5.643 -3.305 -5.474 1.00 0.00 C ATOM 991 C PHE D 66 -6.401 -2.029 -5.750 1.00 0.00 C ATOM 992 O PHE D 66 -5.832 -0.945 -5.787 1.00 0.00 O ATOM 993 CB PHE D 66 -5.356 -3.503 -3.977 1.00 0.00 C ATOM 994 CG PHE D 66 -4.526 -2.442 -3.278 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.051 -1.187 -3.006 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.230 -2.718 -2.863 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.308 -0.234 -2.340 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.478 -1.763 -2.199 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.020 -0.519 -1.935 1.00 0.00 C ATOM 0 H PHE D 66 -3.755 -2.602 -6.067 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.273 -4.145 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.312 -3.579 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -4.850 -4.461 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.057 -0.952 -3.321 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -2.803 -3.690 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.735 0.737 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.469 -1.990 -1.888 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.438 0.227 -1.414 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.679 -2.164 -6.010 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.490 -1.024 -6.328 1.00 0.00 C ATOM 1011 C ASN D 67 -9.322 -0.657 -5.120 1.00 0.00 C ATOM 1012 O ASN D 67 -9.746 -1.530 -4.377 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.359 -1.312 -7.557 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.251 -2.528 -7.402 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -11.147 -2.554 -6.569 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -10.011 -3.544 -8.215 1.00 0.00 N ATOM 0 H ASN D 67 -8.176 -3.055 -6.006 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.856 -0.174 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -9.980 -0.441 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -8.712 -1.455 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -10.583 -4.387 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.254 -3.484 -8.897 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.456 0.633 -4.874 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.133 1.128 -3.684 1.00 0.00 C ATOM 1025 C GLU D 68 -11.634 0.875 -3.766 1.00 0.00 C ATOM 1026 O GLU D 68 -12.337 0.911 -2.754 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.857 2.606 -3.524 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.383 2.969 -3.536 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.595 2.328 -2.411 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.372 2.557 -2.350 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.201 1.621 -1.583 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.102 1.366 -5.488 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.750 0.593 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.359 3.147 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.296 2.947 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.950 2.668 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.283 4.052 -3.468 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.072 0.439 -4.943 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.428 -0.053 -5.126 1.00 0.00 C ATOM 1040 C LYS D 69 -13.586 -1.275 -4.256 1.00 0.00 C ATOM 1041 O LYS D 69 -14.512 -1.373 -3.446 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.642 -0.445 -6.572 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.307 0.676 -7.534 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.504 0.272 -8.988 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.634 -0.911 -9.375 1.00 0.00 C ATOM 1046 NZ LYS D 69 -12.746 -1.235 -10.821 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.501 0.418 -5.788 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.152 0.717 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.027 -1.314 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.681 -0.743 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.933 1.540 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.272 0.984 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.551 0.021 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.272 1.119 -9.634 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -11.594 -0.691 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -12.922 -1.781 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -12.137 -2.048 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -13.733 -1.470 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -12.447 -0.414 -11.385 1.00 0.00 H new ATOM 1060 N SER D 70 -12.515 -2.059 -4.245 1.00 0.00 N ATOM 1061 CA SER D 70 -12.362 -3.088 -3.265 1.00 0.00 C ATOM 1062 C SER D 70 -12.079 -2.405 -1.944 1.00 0.00 C ATOM 1063 O SER D 70 -11.141 -1.626 -1.838 1.00 0.00 O ATOM 1064 CB SER D 70 -11.229 -4.050 -3.627 1.00 0.00 C ATOM 1065 OG SER D 70 -11.156 -5.125 -2.701 1.00 0.00 O ATOM 0 H SER D 70 -11.746 -1.989 -4.912 1.00 0.00 H new ATOM 0 HA SER D 70 -13.270 -3.688 -3.210 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.387 -4.442 -4.632 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.281 -3.512 -3.640 1.00 0.00 H new ATOM 0 HG SER D 70 -10.425 -5.727 -2.955 1.00 0.00 H new ATOM 1071 N THR D 71 -12.935 -2.625 -0.975 1.00 0.00 N ATOM 1072 CA THR D 71 -12.805 -1.964 0.309 1.00 0.00 C ATOM 1073 C THR D 71 -11.423 -2.215 0.893 1.00 0.00 C ATOM 1074 O THR D 71 -10.945 -3.347 0.866 1.00 0.00 O ATOM 1075 CB THR D 71 -13.880 -2.476 1.240 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.804 -3.884 1.394 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.281 -2.140 0.770 1.00 0.00 C ATOM 0 H THR D 71 -13.732 -3.257 -1.048 1.00 0.00 H new ATOM 0 HA THR D 71 -12.926 -0.888 0.181 1.00 0.00 H new ATOM 0 HB THR D 71 -13.695 -1.974 2.190 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.511 -4.185 2.003 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.007 -2.534 1.480 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.392 -1.058 0.701 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.453 -2.586 -0.210 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.742 -1.154 1.336 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.383 -1.272 1.828 1.00 0.00 C ATOM 1087 C VAL D 72 -9.275 -2.296 2.960 1.00 0.00 C ATOM 1088 O VAL D 72 -8.205 -2.852 3.215 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.772 0.084 2.247 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.534 0.338 1.407 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.753 1.240 2.039 1.00 0.00 C ATOM 0 H VAL D 72 -11.118 -0.206 1.360 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.793 -1.635 0.987 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.528 0.034 3.308 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.091 1.292 1.691 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.812 -0.461 1.573 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.809 0.365 0.353 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.284 2.175 2.346 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.027 1.300 0.986 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.648 1.070 2.637 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.433 -2.685 3.484 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.515 -3.792 4.397 1.00 0.00 C ATOM 1103 C GLY D 73 -10.355 -5.122 3.705 1.00 0.00 C ATOM 1104 O GLY D 73 -9.458 -5.897 4.033 1.00 0.00 O ATOM 0 H GLY D 73 -11.328 -2.238 3.282 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.744 -3.688 5.160 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.476 -3.766 4.910 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.200 -5.357 2.704 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.127 -6.578 1.902 1.00 0.00 C ATOM 1110 C ASN D 74 -9.800 -6.657 1.172 1.00 0.00 C ATOM 1111 O ASN D 74 -9.309 -7.742 0.876 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.273 -6.624 0.888 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.235 -7.872 0.032 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.318 -8.988 0.545 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.103 -7.694 -1.275 1.00 0.00 N ATOM 0 H ASN D 74 -11.945 -4.717 2.428 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.214 -7.430 2.576 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.225 -6.578 1.417 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.222 -5.744 0.246 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.067 -8.500 -1.898 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.038 -6.751 -1.657 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.188 -5.508 0.967 1.00 0.00 N ATOM 1123 CA ILE D 75 -7.869 -5.458 0.352 1.00 0.00 C ATOM 1124 C ILE D 75 -6.809 -5.924 1.337 1.00 0.00 C ATOM 1125 O ILE D 75 -5.896 -6.651 0.972 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.513 -4.044 -0.117 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.508 -3.525 -1.169 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.089 -4.002 -0.648 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.219 -2.106 -1.602 1.00 0.00 C ATOM 0 H ILE D 75 -9.577 -4.598 1.214 1.00 0.00 H new ATOM 0 HA ILE D 75 -7.896 -6.118 -0.515 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.581 -3.382 0.746 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.481 -4.178 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.518 -3.577 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -5.853 -2.990 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.398 -4.298 0.141 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -5.994 -4.688 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -8.954 -1.795 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.274 -1.444 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.220 -2.054 -2.036 1.00 0.00 H new ATOM 1141 N SER D 76 -6.927 -5.497 2.585 1.00 0.00 N ATOM 1142 CA SER D 76 -5.959 -5.881 3.602 1.00 0.00 C ATOM 1143 C SER D 76 -6.134 -7.325 4.019 1.00 0.00 C ATOM 1144 O SER D 76 -5.156 -7.980 4.372 1.00 0.00 O ATOM 1145 CB SER D 76 -6.036 -4.954 4.810 1.00 0.00 C ATOM 1146 OG SER D 76 -5.227 -5.424 5.875 1.00 0.00 O ATOM 0 H SER D 76 -7.676 -4.890 2.916 1.00 0.00 H new ATOM 0 HA SER D 76 -4.967 -5.783 3.161 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.716 -3.952 4.523 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.070 -4.875 5.144 1.00 0.00 H new ATOM 0 HG SER D 76 -5.619 -5.148 6.730 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.311 -7.881 3.766 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.474 -9.316 3.902 1.00 0.00 C ATOM 1154 C ASN D 77 -6.622 -10.004 2.855 1.00 0.00 C ATOM 1155 O ASN D 77 -6.094 -11.085 3.090 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.937 -9.747 3.769 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.792 -9.253 4.917 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.846 -8.518 4.602 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -9.513 -9.548 6.079 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.146 -7.373 3.473 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.152 -9.607 4.902 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.340 -9.368 2.830 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.990 -10.835 3.723 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -8.690 -10.117 6.277 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.105 -9.223 6.844 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.407 -9.304 1.736 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.517 -9.780 0.679 1.00 0.00 C ATOM 1168 C ASP D 78 -4.052 -9.453 0.941 1.00 0.00 C ATOM 1169 O ASP D 78 -3.170 -10.184 0.502 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.928 -9.221 -0.687 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.139 -9.912 -1.264 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.213 -9.873 -0.638 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.012 -10.503 -2.351 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.841 -8.402 1.541 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.618 -10.865 0.675 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.136 -8.155 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.094 -9.321 -1.381 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.769 -8.341 1.595 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.379 -7.954 1.810 1.00 0.00 C ATOM 1180 C ILE D 79 -1.737 -8.867 2.850 1.00 0.00 C ATOM 1181 O ILE D 79 -0.516 -9.033 2.881 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.249 -6.468 2.228 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.083 -5.607 1.285 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.796 -6.025 2.153 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.069 -4.134 1.617 1.00 0.00 C ATOM 0 H ILE D 79 -4.463 -7.700 1.980 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.851 -8.066 0.863 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.604 -6.355 3.252 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.716 -5.742 0.268 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.113 -5.962 1.302 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.719 -4.979 2.449 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.194 -6.638 2.824 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.433 -6.141 1.132 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.686 -3.593 0.899 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.465 -3.984 2.621 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.046 -3.760 1.570 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.582 -9.570 3.592 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.130 -10.594 4.511 1.00 0.00 C ATOM 1199 C ASN D 80 -1.483 -11.747 3.757 1.00 0.00 C ATOM 1200 O ASN D 80 -0.377 -12.168 4.090 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.306 -11.108 5.339 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.839 -10.087 6.329 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.161 -8.954 6.456 1.00 0.00 O flip ATOM 1204 ND2 ASN D 80 -4.844 -10.329 6.997 1.00 0.00 N flip ATOM 0 H ASN D 80 -3.594 -9.444 3.571 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.386 -10.156 5.177 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.111 -11.406 4.667 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.996 -12.001 5.881 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -5.339 -11.212 6.872 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -5.181 -9.647 7.676 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.167 -12.255 2.732 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.628 -13.353 1.946 1.00 0.00 C ATOM 1213 C LYS D 81 -0.480 -12.904 1.043 1.00 0.00 C ATOM 1214 O LYS D 81 0.624 -13.436 1.144 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.708 -14.073 1.124 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.631 -13.165 0.341 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.856 -12.803 1.156 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.704 -14.021 1.492 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.212 -14.701 0.269 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.085 -11.925 2.433 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.231 -14.068 2.667 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.219 -14.755 0.429 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.310 -14.683 1.798 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.098 -12.258 0.056 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.936 -13.659 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.545 -12.314 2.079 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.459 -12.084 0.602 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.113 -14.724 2.079 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.546 -13.716 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.941 -15.393 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.622 -13.995 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.428 -15.190 -0.207 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.742 -11.925 0.169 1.00 0.00 N ATOM 1234 CA LEU D 82 0.262 -11.402 -0.754 1.00 0.00 C ATOM 1235 C LEU D 82 1.613 -11.147 -0.089 1.00 0.00 C ATOM 1236 O LEU D 82 2.652 -11.376 -0.708 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.256 -10.129 -1.390 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.206 -10.337 -2.569 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.466 -10.920 -3.758 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.392 -11.221 -2.222 1.00 0.00 C ATOM 0 H LEU D 82 -1.654 -11.477 0.085 1.00 0.00 H new ATOM 0 HA LEU D 82 0.432 -12.165 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.769 -9.543 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.595 -9.537 -1.728 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.596 -9.352 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.161 -11.060 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.328 -10.238 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.033 -11.881 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.031 -11.333 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.035 -12.201 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.962 -10.764 -1.413 1.00 0.00 H new ATOM 1252 N ASN D 83 1.562 -10.708 1.180 1.00 0.00 N ATOM 1253 CA ASN D 83 2.746 -10.430 2.016 1.00 0.00 C ATOM 1254 C ASN D 83 3.947 -9.996 1.174 1.00 0.00 C ATOM 1255 O ASN D 83 4.888 -10.763 0.960 1.00 0.00 O ATOM 1256 CB ASN D 83 3.092 -11.660 2.867 1.00 0.00 C ATOM 1257 CG ASN D 83 4.160 -11.388 3.915 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.307 -11.071 3.602 1.00 0.00 O ATOM 1259 ND2 ASN D 83 3.778 -11.488 5.179 1.00 0.00 N ATOM 0 H ASN D 83 0.681 -10.533 1.664 1.00 0.00 H new ATOM 0 HA ASN D 83 2.501 -9.599 2.678 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.189 -12.015 3.363 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.432 -12.462 2.212 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.443 -11.300 5.929 1.00 0.00 H new ATOM 0 HD22 ASN D 83 2.819 -11.753 5.402 1.00 0.00 H new ATOM 1266 N ILE D 84 3.870 -8.792 0.626 1.00 0.00 N ATOM 1267 CA ILE D 84 4.911 -8.304 -0.258 1.00 0.00 C ATOM 1268 C ILE D 84 5.947 -7.508 0.522 1.00 0.00 C ATOM 1269 O ILE D 84 5.739 -6.336 0.838 1.00 0.00 O ATOM 1270 CB ILE D 84 4.322 -7.440 -1.390 1.00 0.00 C ATOM 1271 CG1 ILE D 84 3.235 -8.215 -2.137 1.00 0.00 C ATOM 1272 CG2 ILE D 84 5.410 -7.006 -2.360 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.598 -7.426 -3.259 1.00 0.00 C ATOM 0 H ILE D 84 3.101 -8.140 0.779 1.00 0.00 H new ATOM 0 HA ILE D 84 5.397 -9.170 -0.707 1.00 0.00 H new ATOM 0 HB ILE D 84 3.881 -6.549 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE D 84 3.666 -9.129 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.462 -8.515 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.971 -6.397 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE D 84 6.161 -6.422 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.879 -7.887 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.837 -8.035 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE D 84 2.137 -6.525 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.360 -7.148 -3.987 1.00 0.00 H new ATOM 1285 N LYS D 85 7.049 -8.157 0.860 1.00 0.00 N ATOM 1286 CA LYS D 85 8.088 -7.516 1.639 1.00 0.00 C ATOM 1287 C LYS D 85 9.423 -7.683 0.922 1.00 0.00 C ATOM 1288 O LYS D 85 10.117 -8.687 1.104 1.00 0.00 O ATOM 1289 CB LYS D 85 8.140 -8.149 3.034 1.00 0.00 C ATOM 1290 CG LYS D 85 8.674 -7.221 4.108 1.00 0.00 C ATOM 1291 CD LYS D 85 10.060 -6.708 3.767 1.00 0.00 C ATOM 1292 CE LYS D 85 10.545 -5.673 4.760 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.618 -4.511 4.850 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.244 -9.125 0.606 1.00 0.00 H new ATOM 0 HA LYS D 85 7.876 -6.452 1.747 1.00 0.00 H new ATOM 0 HB2 LYS D 85 7.138 -8.474 3.313 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.765 -9.041 2.995 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.994 -6.378 4.232 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.705 -7.748 5.062 1.00 0.00 H new ATOM 0 HD2 LYS D 85 10.760 -7.543 3.744 1.00 0.00 H new ATOM 0 HD3 LYS D 85 10.049 -6.274 2.767 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.647 -6.133 5.743 1.00 0.00 H new ATOM 0 HE3 LYS D 85 11.536 -5.325 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 10.116 -3.701 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.287 -4.256 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.802 -4.763 5.444 1.00 0.00 H new ATOM 1307 N GLY D 86 9.780 -6.687 0.122 1.00 0.00 N ATOM 1308 CA GLY D 86 11.033 -6.715 -0.610 1.00 0.00 C ATOM 1309 C GLY D 86 11.032 -7.707 -1.756 1.00 0.00 C ATOM 1310 O GLY D 86 10.310 -8.709 -1.725 1.00 0.00 O ATOM 0 H GLY D 86 9.217 -5.851 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.241 -5.719 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.842 -6.964 0.077 1.00 0.00 H new ATOM 1314 N PRO D 87 11.842 -7.455 -2.791 1.00 0.00 N ATOM 1315 CA PRO D 87 12.709 -6.280 -2.867 1.00 0.00 C ATOM 1316 C PRO D 87 12.037 -5.084 -3.560 1.00 0.00 C ATOM 1317 O PRO D 87 10.877 -5.182 -3.949 1.00 0.00 O ATOM 1318 CB PRO D 87 13.870 -6.822 -3.685 1.00 0.00 C ATOM 1319 CG PRO D 87 13.244 -7.776 -4.648 1.00 0.00 C ATOM 1320 CD PRO D 87 11.983 -8.302 -3.987 1.00 0.00 C ATOM 0 HA PRO D 87 12.987 -5.882 -1.891 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.395 -6.021 -4.206 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.601 -7.323 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.008 -7.277 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.927 -8.592 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.118 -8.214 -4.645 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.077 -9.356 -3.724 1.00 0.00 H new ATOM 1328 N TYR D 88 12.791 -3.969 -3.665 1.00 0.00 N ATOM 1329 CA TYR D 88 12.355 -2.678 -4.263 1.00 0.00 C ATOM 1330 C TYR D 88 10.856 -2.595 -4.540 1.00 0.00 C ATOM 1331 O TYR D 88 10.387 -3.028 -5.592 1.00 0.00 O ATOM 1332 CB TYR D 88 13.106 -2.396 -5.571 1.00 0.00 C ATOM 1333 CG TYR D 88 14.610 -2.459 -5.443 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.379 -1.305 -5.439 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.261 -3.680 -5.350 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.755 -1.367 -5.336 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.635 -3.751 -5.245 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.376 -2.593 -5.237 1.00 0.00 C ATOM 1339 OH TYR D 88 18.745 -2.661 -5.137 1.00 0.00 O ATOM 0 H TYR D 88 13.753 -3.936 -3.326 1.00 0.00 H new ATOM 0 HA TYR D 88 12.593 -1.927 -3.509 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.785 -3.116 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.824 -1.408 -5.934 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.895 -0.343 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.682 -4.592 -5.360 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.341 -0.460 -5.333 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.125 -4.710 -5.170 1.00 0.00 H new ATOM 0 HH TYR D 88 19.022 -3.599 -5.074 1.00 0.00 H new ATOM 1349 N ILE D 89 10.113 -2.046 -3.591 1.00 0.00 N ATOM 1350 CA ILE D 89 8.667 -1.921 -3.724 1.00 0.00 C ATOM 1351 C ILE D 89 8.231 -0.467 -3.871 1.00 0.00 C ATOM 1352 O ILE D 89 8.704 0.410 -3.146 1.00 0.00 O ATOM 1353 CB ILE D 89 7.961 -2.538 -2.503 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.357 -4.006 -2.353 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.456 -2.445 -2.659 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.760 -4.652 -1.131 1.00 0.00 C ATOM 0 H ILE D 89 10.488 -1.678 -2.717 1.00 0.00 H new ATOM 0 HA ILE D 89 8.383 -2.457 -4.629 1.00 0.00 H new ATOM 0 HB ILE D 89 8.267 -1.983 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.040 -4.555 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.443 -4.081 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.972 -2.886 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.163 -1.399 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.149 -2.984 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.077 -5.694 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.098 -4.125 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.673 -4.606 -1.190 1.00 0.00 H new ATOM 1368 N GLU D 90 7.218 -0.253 -4.701 1.00 0.00 N ATOM 1369 CA GLU D 90 6.586 1.058 -4.816 1.00 0.00 C ATOM 1370 C GLU D 90 5.072 0.921 -4.664 1.00 0.00 C ATOM 1371 O GLU D 90 4.367 0.618 -5.625 1.00 0.00 O ATOM 1372 CB GLU D 90 6.925 1.717 -6.160 1.00 0.00 C ATOM 1373 CG GLU D 90 6.369 3.126 -6.314 1.00 0.00 C ATOM 1374 CD GLU D 90 6.709 3.741 -7.651 1.00 0.00 C ATOM 1375 OE1 GLU D 90 7.908 3.919 -7.939 1.00 0.00 O ATOM 1376 OE2 GLU D 90 5.779 4.038 -8.423 1.00 0.00 O1- ATOM 0 H GLU D 90 6.815 -0.970 -5.305 1.00 0.00 H new ATOM 0 HA GLU D 90 6.971 1.695 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.008 1.750 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.538 1.094 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU D 90 5.286 3.100 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU D 90 6.762 3.757 -5.517 1.00 0.00 H new ATOM 1383 N ILE D 91 4.586 1.125 -3.450 1.00 0.00 N ATOM 1384 CA ILE D 91 3.163 1.016 -3.154 1.00 0.00 C ATOM 1385 C ILE D 91 2.557 2.430 -3.187 1.00 0.00 C ATOM 1386 O ILE D 91 2.875 3.258 -2.334 1.00 0.00 O ATOM 1387 CB ILE D 91 2.953 0.366 -1.757 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.923 -0.787 -1.553 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.548 -0.190 -1.592 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.752 -1.474 -0.216 1.00 0.00 C ATOM 0 H ILE D 91 5.162 1.370 -2.644 1.00 0.00 H new ATOM 0 HA ILE D 91 2.672 0.384 -3.894 1.00 0.00 H new ATOM 0 HB ILE D 91 3.122 1.155 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.784 -1.517 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.944 -0.415 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.446 -0.634 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.822 0.616 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.366 -0.951 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.472 -2.288 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.919 -0.755 0.586 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.741 -1.875 -0.139 1.00 0.00 H new ATOM 1402 N LYS D 92 1.746 2.724 -4.211 1.00 0.00 N ATOM 1403 CA LYS D 92 1.169 4.058 -4.404 1.00 0.00 C ATOM 1404 C LYS D 92 -0.024 3.987 -5.355 1.00 0.00 C ATOM 1405 O LYS D 92 -0.221 2.968 -6.025 1.00 0.00 O ATOM 1406 CB LYS D 92 2.254 5.035 -4.914 1.00 0.00 C ATOM 1407 CG LYS D 92 2.961 4.619 -6.209 1.00 0.00 C ATOM 1408 CD LYS D 92 1.974 4.500 -7.348 1.00 0.00 C ATOM 1409 CE LYS D 92 2.619 4.345 -8.711 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.542 5.465 -9.028 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.473 2.048 -4.924 1.00 0.00 H new ATOM 0 HA LYS D 92 0.804 4.436 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.795 6.011 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.005 5.156 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS D 92 3.727 5.352 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.468 3.666 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS D 92 1.326 3.643 -7.165 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.338 5.385 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS D 92 3.168 3.404 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.842 4.290 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.510 5.663 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.252 6.314 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.511 5.204 -8.756 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.756 5.090 -5.511 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.826 5.109 -6.500 1.00 0.00 C ATOM 1426 C GLN D 93 -1.329 5.557 -7.853 1.00 0.00 C ATOM 1427 O GLN D 93 -0.270 6.166 -7.985 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.014 5.953 -6.090 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.662 7.384 -5.778 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.856 8.179 -5.293 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.484 7.827 -4.290 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.184 9.248 -6.001 1.00 0.00 N ATOM 0 H GLN D 93 -0.633 5.954 -4.983 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.168 4.076 -6.565 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.754 5.936 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.482 5.504 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.881 7.406 -5.018 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.252 7.857 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.637 9.503 -6.823 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.984 9.817 -5.724 1.00 0.00 H new ATOM 1441 N ILE D 94 -2.032 5.095 -8.856 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.622 5.246 -10.231 1.00 0.00 C ATOM 1443 C ILE D 94 -2.673 5.984 -11.055 1.00 0.00 C ATOM 1444 O ILE D 94 -3.562 6.615 -10.453 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.385 3.856 -10.813 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.617 3.001 -10.548 1.00 0.00 C ATOM 1447 CG2 ILE D 94 -0.144 3.218 -10.214 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.482 1.570 -10.971 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.601 5.925 -12.295 1.00 0.00 O ATOM 0 H ILE D 94 -2.915 4.598 -8.741 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.709 5.840 -10.266 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.219 3.936 -11.887 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.843 3.032 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.468 3.442 -11.067 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.001 2.228 -10.647 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.725 3.839 -10.430 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.266 3.128 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.405 1.035 -10.745 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.289 1.524 -12.043 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.654 1.108 -10.433 1.00 0.00 H new