USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 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 35 GLN : amide:sc= -1.2! C(o=-1.4!,f=-4.6!) USER MOD Set 1.2: D 83 ASN : amide:sc= -0.195 X(o=-1.4,f=-1.2) USER MOD Set 2.1: D 76 SER OG : rot 17:sc= 0.376 USER MOD Set 2.2: D 80 ASN : amide:sc= -0.369 K(o=0.007,f=-1.9!) USER MOD Set 3.1: D 70 SER OG : rot 180:sc= 0.0171 USER MOD Set 3.2: D 74 ASN : amide:sc= 0.0144 X(o=0.031,f=0) USER MOD Set 4.1: D 17 ASN : amide:sc= -10.4! C(o=-9.7!,f=-9.7!) USER MOD Set 4.2: D 28 SER OG : rot 28:sc= 0.653 USER MOD Single : D 14 ASN : amide:sc= 0.283 K(o=0.28,f=-3.3!) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0428) USER MOD Single : D 21 ASN : amide:sc= -5.23! C(o=-5.2!,f=-6.8!) USER MOD Single : D 22 LYS NZ :NH3+ -160:sc= -0.0991 (180deg=-0.55) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.4) USER MOD Single : D 34 ASN : amide:sc= -2.32! K(o=-2.3!,f=0) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.27! USER MOD Single : D 40 SER OG : rot 22:sc= -3.74! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.015) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.43 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -110:sc= 1.15 (180deg=-0.332) USER MOD Single : D 53 ASN : amide:sc= -2.59! K(o=-2.6!,f=-0.025) USER MOD Single : D 59 ASN : amide:sc= -2.58! C(o=-2.6!,f=-9.9!) USER MOD Single : D 62 LYS NZ :NH3+ -144:sc= -2.58! (180deg=-5.23!) USER MOD Single : D 64 TYR OH : rot 51:sc= 0.106 USER MOD Single : D 65 THR OG1 : rot 130:sc= -0.554 USER MOD Single : D 67 ASN : amide:sc= -1.06! C(o=-1.1!,f=-9.4!) USER MOD Single : D 69 LYS NZ :NH3+ -147:sc= -3.23! (180deg=-5.89!) USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : D 77 ASN : amide:sc= -1.47! K(o=-1.5!,f=0) USER MOD Single : D 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -177:sc= 1.1 (180deg=0.955) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 7.985 4.828 3.059 1.00 0.00 N ATOM 185 CA ILE D 13 6.927 3.847 2.987 1.00 0.00 C ATOM 186 C ILE D 13 5.664 4.416 3.583 1.00 0.00 C ATOM 187 O ILE D 13 4.709 4.596 2.880 1.00 0.00 O ATOM 188 CB ILE D 13 7.337 2.571 3.745 1.00 0.00 C ATOM 189 CG1 ILE D 13 8.567 1.945 3.098 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.194 1.563 3.817 1.00 0.00 C ATOM 191 CD1 ILE D 13 9.011 0.661 3.766 1.00 0.00 C ATOM 0 HA ILE D 13 6.747 3.593 1.942 1.00 0.00 H new ATOM 0 HB ILE D 13 7.582 2.856 4.768 1.00 0.00 H new ATOM 0 HG12 ILE D 13 8.354 1.744 2.048 1.00 0.00 H new ATOM 0 HG13 ILE D 13 9.387 2.662 3.125 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.524 0.677 4.360 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.346 2.011 4.335 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.894 1.280 2.808 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.891 0.270 3.255 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.256 0.860 4.809 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.206 -0.073 3.716 1.00 0.00 H new ATOM 203 N ASN D 14 5.678 4.614 4.894 1.00 0.00 N ATOM 204 CA ASN D 14 4.514 5.073 5.689 1.00 0.00 C ATOM 205 C ASN D 14 3.584 6.077 4.980 1.00 0.00 C ATOM 206 O ASN D 14 2.364 6.025 5.175 1.00 0.00 O ATOM 207 CB ASN D 14 4.992 5.669 7.012 1.00 0.00 C ATOM 208 CG ASN D 14 5.678 4.645 7.897 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.671 4.029 7.505 1.00 0.00 O ATOM 210 ND2 ASN D 14 5.158 4.459 9.099 1.00 0.00 N ATOM 0 H ASN D 14 6.512 4.460 5.461 1.00 0.00 H new ATOM 0 HA ASN D 14 3.910 4.180 5.848 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.681 6.489 6.809 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.140 6.092 7.545 1.00 0.00 H new ATOM 0 HD21 ASN D 14 5.580 3.786 9.739 1.00 0.00 H new ATOM 0 HD22 ASN D 14 4.335 4.989 9.386 1.00 0.00 H new ATOM 217 N SER D 15 4.122 6.946 4.122 1.00 0.00 N ATOM 218 CA SER D 15 3.275 7.874 3.370 1.00 0.00 C ATOM 219 C SER D 15 2.267 7.094 2.531 1.00 0.00 C ATOM 220 O SER D 15 1.153 7.545 2.319 1.00 0.00 O ATOM 221 CB SER D 15 4.092 8.793 2.469 1.00 0.00 C ATOM 222 OG SER D 15 4.845 8.052 1.521 1.00 0.00 O ATOM 0 H SER D 15 5.121 7.027 3.933 1.00 0.00 H new ATOM 0 HA SER D 15 2.752 8.499 4.093 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.426 9.482 1.949 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.764 9.398 3.077 1.00 0.00 H new ATOM 0 HG SER D 15 5.357 8.668 0.956 1.00 0.00 H new ATOM 228 N VAL D 16 2.658 5.868 2.166 1.00 0.00 N ATOM 229 CA VAL D 16 1.817 4.892 1.464 1.00 0.00 C ATOM 230 C VAL D 16 0.427 4.814 2.086 1.00 0.00 C ATOM 231 O VAL D 16 -0.555 4.502 1.423 1.00 0.00 O ATOM 232 CB VAL D 16 2.480 3.472 1.535 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.451 2.903 2.947 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.811 2.499 0.580 1.00 0.00 C ATOM 0 H VAL D 16 3.597 5.517 2.357 1.00 0.00 H new ATOM 0 HA VAL D 16 1.723 5.216 0.427 1.00 0.00 H new ATOM 0 HB VAL D 16 3.520 3.601 1.236 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.920 1.919 2.952 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.995 3.568 3.618 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.418 2.814 3.282 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.295 1.525 0.655 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.757 2.401 0.839 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.900 2.871 -0.441 1.00 0.00 H new ATOM 244 N ASN D 17 0.383 5.072 3.375 1.00 0.00 N ATOM 245 CA ASN D 17 -0.843 4.992 4.153 1.00 0.00 C ATOM 246 C ASN D 17 -1.605 6.287 4.088 1.00 0.00 C ATOM 247 O ASN D 17 -2.817 6.291 4.083 1.00 0.00 O ATOM 248 CB ASN D 17 -0.520 4.639 5.602 1.00 0.00 C ATOM 249 CG ASN D 17 0.047 3.243 5.737 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.502 2.846 6.805 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.019 2.470 4.661 1.00 0.00 N ATOM 0 H ASN D 17 1.200 5.345 3.920 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.470 4.208 3.728 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.195 5.360 5.999 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.424 4.722 6.205 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.316 1.507 4.703 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.405 2.838 3.791 1.00 0.00 H new ATOM 258 N ASP D 18 -0.885 7.378 3.969 1.00 0.00 N ATOM 259 CA ASP D 18 -1.482 8.695 3.820 1.00 0.00 C ATOM 260 C ASP D 18 -2.354 8.819 2.563 1.00 0.00 C ATOM 261 O ASP D 18 -3.203 9.708 2.487 1.00 0.00 O ATOM 262 CB ASP D 18 -0.366 9.733 3.784 1.00 0.00 C ATOM 263 CG ASP D 18 0.252 9.973 5.141 1.00 0.00 C ATOM 264 OD1 ASP D 18 1.204 10.769 5.223 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.220 9.377 6.128 1.00 0.00 O1- ATOM 0 H ASP D 18 0.135 7.383 3.972 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.143 8.861 4.671 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.408 9.404 3.090 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.762 10.673 3.398 1.00 0.00 H new ATOM 270 N LYS D 19 -2.215 7.884 1.625 1.00 0.00 N ATOM 271 CA LYS D 19 -3.082 7.865 0.436 1.00 0.00 C ATOM 272 C LYS D 19 -4.274 7.003 0.727 1.00 0.00 C ATOM 273 O LYS D 19 -5.411 7.347 0.433 1.00 0.00 O ATOM 274 CB LYS D 19 -2.389 7.299 -0.809 1.00 0.00 C ATOM 275 CG LYS D 19 -1.103 8.004 -1.179 1.00 0.00 C ATOM 276 CD LYS D 19 -0.004 7.560 -0.255 1.00 0.00 C ATOM 277 CE LYS D 19 1.306 8.272 -0.492 1.00 0.00 C ATOM 278 NZ LYS D 19 1.824 8.076 -1.872 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.522 7.137 1.658 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.355 8.899 0.225 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.176 6.243 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.077 7.357 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.837 7.780 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.235 9.084 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.317 7.726 0.776 1.00 0.00 H new ATOM 0 HD3 LYS D 19 0.148 6.487 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.174 9.338 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS D 19 2.045 7.912 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.764 8.514 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.897 7.058 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.174 8.519 -2.553 1.00 0.00 H new ATOM 292 N LEU D 20 -3.960 5.859 1.284 1.00 0.00 N ATOM 293 CA LEU D 20 -4.932 4.856 1.625 1.00 0.00 C ATOM 294 C LEU D 20 -5.893 5.387 2.685 1.00 0.00 C ATOM 295 O LEU D 20 -7.097 5.152 2.645 1.00 0.00 O ATOM 296 CB LEU D 20 -4.168 3.660 2.165 1.00 0.00 C ATOM 297 CG LEU D 20 -3.116 3.090 1.206 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.271 2.032 1.892 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.779 2.509 -0.030 1.00 0.00 C ATOM 0 H LEU D 20 -3.002 5.596 1.516 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.522 4.579 0.752 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.676 3.949 3.094 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.880 2.872 2.413 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.462 3.908 0.902 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.533 1.644 1.190 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.761 2.473 2.748 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.912 1.218 2.231 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.016 2.110 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.459 1.709 0.264 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.339 3.290 -0.544 1.00 0.00 H new ATOM 311 N ASN D 21 -5.322 6.112 3.636 1.00 0.00 N ATOM 312 CA ASN D 21 -6.063 6.711 4.734 1.00 0.00 C ATOM 313 C ASN D 21 -6.804 7.963 4.287 1.00 0.00 C ATOM 314 O ASN D 21 -6.206 9.037 4.206 1.00 0.00 O ATOM 315 CB ASN D 21 -5.107 7.062 5.884 1.00 0.00 C ATOM 316 CG ASN D 21 -4.710 5.853 6.707 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.559 5.177 7.279 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.421 5.572 6.781 1.00 0.00 N ATOM 0 H ASN D 21 -4.320 6.302 3.666 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.798 5.983 5.076 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.210 7.528 5.476 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.581 7.798 6.533 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.104 4.771 7.327 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.743 6.156 6.292 1.00 0.00 H new ATOM 325 N LYS D 22 -8.088 7.836 3.958 1.00 0.00 N ATOM 326 CA LYS D 22 -8.839 9.000 3.480 1.00 0.00 C ATOM 327 C LYS D 22 -10.084 9.322 4.303 1.00 0.00 C ATOM 328 O LYS D 22 -10.361 10.493 4.558 1.00 0.00 O ATOM 329 CB LYS D 22 -9.182 8.849 1.999 1.00 0.00 C ATOM 330 CG LYS D 22 -7.963 9.001 1.102 1.00 0.00 C ATOM 331 CD LYS D 22 -8.295 8.777 -0.360 1.00 0.00 C ATOM 332 CE LYS D 22 -7.113 9.099 -1.254 1.00 0.00 C ATOM 333 NZ LYS D 22 -6.670 10.511 -1.106 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.620 6.967 4.010 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.177 9.856 3.611 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.633 7.871 1.831 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.927 9.595 1.724 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.543 9.999 1.229 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.196 8.291 1.411 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.595 7.740 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.145 9.399 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.285 8.432 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.383 8.911 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.113 10.789 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.502 11.129 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.084 10.603 -0.252 1.00 0.00 H new ATOM 347 N GLY D 23 -10.850 8.319 4.709 1.00 0.00 N ATOM 348 CA GLY D 23 -12.042 8.597 5.468 1.00 0.00 C ATOM 349 C GLY D 23 -12.922 7.387 5.680 1.00 0.00 C ATOM 350 O GLY D 23 -12.814 6.720 6.709 1.00 0.00 O ATOM 0 H GLY D 23 -10.667 7.332 4.527 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.758 9.003 6.439 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.617 9.368 4.956 1.00 0.00 H new ATOM 354 N LYS D 24 -13.803 7.116 4.711 1.00 0.00 N ATOM 355 CA LYS D 24 -14.733 5.982 4.790 1.00 0.00 C ATOM 356 C LYS D 24 -13.954 4.709 5.057 1.00 0.00 C ATOM 357 O LYS D 24 -14.320 3.888 5.897 1.00 0.00 O ATOM 358 CB LYS D 24 -15.490 5.836 3.466 1.00 0.00 C ATOM 359 CG LYS D 24 -16.673 4.888 3.516 1.00 0.00 C ATOM 360 CD LYS D 24 -17.798 5.485 4.339 1.00 0.00 C ATOM 361 CE LYS D 24 -19.060 4.649 4.250 1.00 0.00 C ATOM 362 NZ LYS D 24 -20.165 5.216 5.066 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.892 7.669 3.859 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.444 6.159 5.597 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.842 6.819 3.154 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.795 5.489 2.702 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -17.024 4.682 2.505 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.365 3.935 3.947 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.486 5.563 5.380 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.006 6.497 3.992 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.377 4.581 3.209 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -18.846 3.634 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -21.008 4.613 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.874 5.257 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.388 6.175 4.730 1.00 0.00 H new ATOM 376 N GLY D 25 -12.868 4.579 4.331 1.00 0.00 N ATOM 377 CA GLY D 25 -12.001 3.450 4.456 1.00 0.00 C ATOM 378 C GLY D 25 -10.588 3.805 4.135 1.00 0.00 C ATOM 379 O GLY D 25 -10.321 4.805 3.468 1.00 0.00 O ATOM 0 H GLY D 25 -12.567 5.262 3.636 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.057 3.058 5.472 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.338 2.656 3.789 1.00 0.00 H new ATOM 383 N LYS D 26 -9.697 3.122 4.805 1.00 0.00 N ATOM 384 CA LYS D 26 -8.311 3.477 4.808 1.00 0.00 C ATOM 385 C LYS D 26 -7.450 2.249 4.968 1.00 0.00 C ATOM 386 O LYS D 26 -7.933 1.202 5.392 1.00 0.00 O ATOM 387 CB LYS D 26 -8.105 4.427 5.938 1.00 0.00 C ATOM 388 CG LYS D 26 -8.898 4.005 7.134 1.00 0.00 C ATOM 389 CD LYS D 26 -8.949 5.100 8.169 1.00 0.00 C ATOM 390 CE LYS D 26 -9.544 6.363 7.577 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.769 7.406 8.609 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.919 2.299 5.366 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.027 3.942 3.864 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.046 4.471 6.194 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.402 5.431 5.634 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -9.911 3.743 6.828 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.455 3.110 7.570 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.545 4.775 9.022 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -7.945 5.304 8.541 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -8.877 6.752 6.807 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.489 6.125 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.176 8.253 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.425 7.045 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -8.863 7.652 9.057 1.00 0.00 H new ATOM 405 N LEU D 27 -6.195 2.363 4.606 1.00 0.00 N ATOM 406 CA LEU D 27 -5.294 1.239 4.685 1.00 0.00 C ATOM 407 C LEU D 27 -3.942 1.634 5.282 1.00 0.00 C ATOM 408 O LEU D 27 -3.425 2.721 5.027 1.00 0.00 O ATOM 409 CB LEU D 27 -5.134 0.640 3.305 1.00 0.00 C ATOM 410 CG LEU D 27 -4.054 -0.420 3.161 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.313 -1.597 4.089 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.973 -0.898 1.722 1.00 0.00 C ATOM 0 H LEU D 27 -5.774 3.223 4.254 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.719 0.493 5.356 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.087 0.202 3.008 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.920 1.446 2.603 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.102 0.030 3.441 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.525 -2.339 3.964 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.324 -1.250 5.122 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.276 -2.046 3.847 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.195 -1.657 1.634 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.931 -1.324 1.426 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.734 -0.056 1.072 1.00 0.00 H new ATOM 424 N SER D 28 -3.375 0.730 6.058 1.00 0.00 N ATOM 425 CA SER D 28 -2.082 0.928 6.685 1.00 0.00 C ATOM 426 C SER D 28 -1.199 -0.262 6.370 1.00 0.00 C ATOM 427 O SER D 28 -1.698 -1.370 6.193 1.00 0.00 O ATOM 428 CB SER D 28 -2.240 1.049 8.200 1.00 0.00 C ATOM 429 OG SER D 28 -1.006 1.365 8.829 1.00 0.00 O ATOM 0 H SER D 28 -3.803 -0.171 6.273 1.00 0.00 H new ATOM 0 HA SER D 28 -1.634 1.845 6.303 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.975 1.821 8.430 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.625 0.112 8.603 1.00 0.00 H new ATOM 0 HG SER D 28 -0.440 1.866 8.205 1.00 0.00 H new ATOM 435 N LEU D 29 0.107 -0.055 6.350 1.00 0.00 N ATOM 436 CA LEU D 29 1.029 -1.147 6.115 1.00 0.00 C ATOM 437 C LEU D 29 2.248 -0.993 7.008 1.00 0.00 C ATOM 438 O LEU D 29 2.802 0.101 7.128 1.00 0.00 O ATOM 439 CB LEU D 29 1.487 -1.183 4.663 1.00 0.00 C ATOM 440 CG LEU D 29 0.374 -1.080 3.624 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.951 -0.749 2.259 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.401 -2.378 3.539 1.00 0.00 C ATOM 0 H LEU D 29 0.548 0.854 6.493 1.00 0.00 H new ATOM 0 HA LEU D 29 0.507 -2.077 6.342 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.189 -0.365 4.501 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.033 -2.111 4.495 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.301 -0.282 3.934 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.144 -0.679 1.530 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.479 0.203 2.308 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.645 -1.533 1.958 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.190 -2.283 2.793 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.273 -3.186 3.254 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.845 -2.601 4.509 1.00 0.00 H new ATOM 454 N SER D 30 2.703 -2.095 7.561 1.00 0.00 N ATOM 455 CA SER D 30 3.911 -2.114 8.365 1.00 0.00 C ATOM 456 C SER D 30 4.615 -3.448 8.184 1.00 0.00 C ATOM 457 O SER D 30 4.113 -4.333 7.491 1.00 0.00 O ATOM 458 CB SER D 30 3.582 -1.898 9.846 1.00 0.00 C ATOM 459 OG SER D 30 2.957 -0.641 10.070 1.00 0.00 O ATOM 0 H SER D 30 2.249 -3.004 7.468 1.00 0.00 H new ATOM 0 HA SER D 30 4.563 -1.305 8.037 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.927 -2.697 10.193 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.498 -1.959 10.434 1.00 0.00 H new ATOM 0 HG SER D 30 2.761 -0.539 11.025 1.00 0.00 H new ATOM 465 N MET D 31 5.746 -3.609 8.844 1.00 0.00 N ATOM 466 CA MET D 31 6.479 -4.860 8.797 1.00 0.00 C ATOM 467 C MET D 31 6.933 -5.266 10.186 1.00 0.00 C ATOM 468 O MET D 31 7.680 -4.550 10.852 1.00 0.00 O ATOM 469 CB MET D 31 7.676 -4.757 7.844 1.00 0.00 C ATOM 470 CG MET D 31 8.631 -3.617 8.154 1.00 0.00 C ATOM 471 SD MET D 31 10.011 -3.548 7.000 1.00 0.00 S ATOM 472 CE MET D 31 10.873 -2.101 7.596 1.00 0.00 C ATOM 0 H MET D 31 6.178 -2.887 9.421 1.00 0.00 H new ATOM 0 HA MET D 31 5.809 -5.631 8.416 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.229 -5.696 7.873 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.305 -4.637 6.826 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.088 -2.673 8.124 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.014 -3.732 9.168 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.756 -1.925 6.982 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.213 -1.235 7.540 1.00 0.00 H new ATOM 0 HE3 MET D 31 11.177 -2.259 8.631 1.00 0.00 H new ATOM 482 N ASN D 32 6.515 -6.448 10.593 1.00 0.00 N ATOM 483 CA ASN D 32 6.923 -6.996 11.874 1.00 0.00 C ATOM 484 C ASN D 32 8.178 -7.825 11.660 1.00 0.00 C ATOM 485 O ASN D 32 8.106 -8.974 11.222 1.00 0.00 O ATOM 486 CB ASN D 32 5.800 -7.852 12.473 1.00 0.00 C ATOM 487 CG ASN D 32 6.135 -8.355 13.867 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.094 -9.101 14.062 1.00 0.00 O ATOM 489 ND2 ASN D 32 5.349 -7.941 14.850 1.00 0.00 N ATOM 0 H ASN D 32 5.892 -7.050 10.055 1.00 0.00 H new ATOM 0 HA ASN D 32 7.131 -6.189 12.577 1.00 0.00 H new ATOM 0 HB2 ASN D 32 4.882 -7.266 12.512 1.00 0.00 H new ATOM 0 HB3 ASN D 32 5.607 -8.703 11.819 1.00 0.00 H new ATOM 0 HD21 ASN D 32 5.530 -8.241 15.808 1.00 0.00 H new ATOM 0 HD22 ASN D 32 4.563 -7.323 14.649 1.00 0.00 H new ATOM 496 N GLY D 33 9.323 -7.165 11.758 1.00 0.00 N ATOM 497 CA GLY D 33 10.566 -7.791 11.346 1.00 0.00 C ATOM 498 C GLY D 33 10.701 -7.765 9.838 1.00 0.00 C ATOM 499 O GLY D 33 10.686 -6.694 9.228 1.00 0.00 O ATOM 0 H GLY D 33 9.415 -6.213 12.113 1.00 0.00 H new ATOM 0 HA2 GLY D 33 11.409 -7.272 11.801 1.00 0.00 H new ATOM 0 HA3 GLY D 33 10.596 -8.821 11.702 1.00 0.00 H new ATOM 503 N ASN D 34 10.691 -8.939 9.226 1.00 0.00 N ATOM 504 CA ASN D 34 10.660 -9.047 7.769 1.00 0.00 C ATOM 505 C ASN D 34 9.305 -9.568 7.314 1.00 0.00 C ATOM 506 O ASN D 34 9.201 -10.280 6.320 1.00 0.00 O ATOM 507 CB ASN D 34 11.780 -9.957 7.246 1.00 0.00 C ATOM 508 CG ASN D 34 13.169 -9.368 7.429 1.00 0.00 C ATOM 509 OD1 ASN D 34 14.171 -10.000 7.089 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.244 -8.150 7.946 1.00 0.00 N ATOM 0 H ASN D 34 10.704 -9.835 9.714 1.00 0.00 H new ATOM 0 HA ASN D 34 10.822 -8.051 7.356 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.729 -10.916 7.761 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.613 -10.154 6.187 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.153 -7.705 8.074 1.00 0.00 H new ATOM 0 HD22 ASN D 34 12.393 -7.657 8.216 1.00 0.00 H new ATOM 517 N GLN D 35 8.272 -9.225 8.066 1.00 0.00 N ATOM 518 CA GLN D 35 6.919 -9.668 7.762 1.00 0.00 C ATOM 519 C GLN D 35 6.118 -8.507 7.190 1.00 0.00 C ATOM 520 O GLN D 35 6.495 -7.360 7.359 1.00 0.00 O ATOM 521 CB GLN D 35 6.244 -10.178 9.028 1.00 0.00 C ATOM 522 CG GLN D 35 4.919 -10.886 8.789 1.00 0.00 C ATOM 523 CD GLN D 35 5.058 -12.108 7.899 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.476 -12.006 6.743 1.00 0.00 O ATOM 525 NE2 GLN D 35 4.705 -13.268 8.429 1.00 0.00 N ATOM 0 H GLN D 35 8.345 -8.638 8.897 1.00 0.00 H new ATOM 0 HA GLN D 35 6.963 -10.474 7.030 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.922 -10.863 9.537 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.077 -9.337 9.701 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.495 -11.186 9.747 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.216 -10.188 8.334 1.00 0.00 H new ATOM 0 HE21 GLN D 35 4.364 -13.307 9.390 1.00 0.00 H new ATOM 0 HE22 GLN D 35 4.774 -14.123 7.877 1.00 0.00 H new ATOM 534 N LEU D 36 5.019 -8.801 6.518 1.00 0.00 N ATOM 535 CA LEU D 36 4.192 -7.759 5.927 1.00 0.00 C ATOM 536 C LEU D 36 2.832 -7.703 6.602 1.00 0.00 C ATOM 537 O LEU D 36 2.259 -8.736 6.952 1.00 0.00 O ATOM 538 CB LEU D 36 4.119 -8.008 4.422 1.00 0.00 C ATOM 539 CG LEU D 36 3.279 -7.054 3.546 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.788 -7.271 3.753 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.629 -5.599 3.821 1.00 0.00 C ATOM 0 H LEU D 36 4.677 -9.750 6.367 1.00 0.00 H new ATOM 0 HA LEU D 36 4.631 -6.774 6.085 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.139 -7.997 4.037 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.733 -9.017 4.274 1.00 0.00 H new ATOM 0 HG LEU D 36 3.521 -7.284 2.508 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.229 -6.582 3.120 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.530 -8.297 3.490 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.536 -7.090 4.798 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.020 -4.953 3.189 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.434 -5.370 4.869 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.684 -5.431 3.603 1.00 0.00 H new ATOM 553 N LYS D 37 2.438 -6.488 6.971 1.00 0.00 N ATOM 554 CA LYS D 37 1.282 -6.283 7.830 1.00 0.00 C ATOM 555 C LYS D 37 0.423 -5.104 7.367 1.00 0.00 C ATOM 556 O LYS D 37 0.795 -3.949 7.546 1.00 0.00 O ATOM 557 CB LYS D 37 1.781 -6.017 9.251 1.00 0.00 C ATOM 558 CG LYS D 37 2.593 -7.161 9.837 1.00 0.00 C ATOM 559 CD LYS D 37 1.700 -8.350 10.149 1.00 0.00 C ATOM 560 CE LYS D 37 2.449 -9.456 10.868 1.00 0.00 C ATOM 561 NZ LYS D 37 1.562 -10.607 11.190 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.907 -5.628 6.686 1.00 0.00 H new ATOM 0 HA LYS D 37 0.659 -7.177 7.790 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.391 -5.114 9.249 1.00 0.00 H new ATOM 0 HB3 LYS D 37 0.925 -5.822 9.897 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.371 -7.459 9.134 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.095 -6.829 10.746 1.00 0.00 H new ATOM 0 HD2 LYS D 37 0.862 -8.022 10.764 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.281 -8.741 9.222 1.00 0.00 H new ATOM 0 HE2 LYS D 37 3.277 -9.798 10.246 1.00 0.00 H new ATOM 0 HE3 LYS D 37 2.882 -9.063 11.788 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 2.111 -11.342 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 0.786 -10.286 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 1.168 -10.998 10.311 1.00 0.00 H new ATOM 575 N ALA D 38 -0.753 -5.400 6.838 1.00 0.00 N ATOM 576 CA ALA D 38 -1.701 -4.374 6.428 1.00 0.00 C ATOM 577 C ALA D 38 -2.862 -4.272 7.409 1.00 0.00 C ATOM 578 O ALA D 38 -3.301 -5.272 7.977 1.00 0.00 O ATOM 579 CB ALA D 38 -2.230 -4.686 5.040 1.00 0.00 C ATOM 0 H ALA D 38 -1.078 -6.354 6.681 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.180 -3.417 6.415 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.939 -3.915 4.739 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.401 -4.713 4.332 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.730 -5.654 5.050 1.00 0.00 H new ATOM 585 N THR D 39 -3.404 -3.070 7.533 1.00 0.00 N ATOM 586 CA THR D 39 -4.577 -2.823 8.360 1.00 0.00 C ATOM 587 C THR D 39 -5.481 -1.776 7.715 1.00 0.00 C ATOM 588 O THR D 39 -5.046 -0.685 7.383 1.00 0.00 O ATOM 589 CB THR D 39 -4.170 -2.380 9.767 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.181 -1.366 9.713 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.644 -3.500 10.638 1.00 0.00 C ATOM 0 H THR D 39 -3.044 -2.239 7.064 1.00 0.00 H new ATOM 0 HA THR D 39 -5.132 -3.757 8.442 1.00 0.00 H new ATOM 0 HB THR D 39 -5.090 -2.009 10.218 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.938 -1.097 10.624 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.378 -3.104 11.618 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.413 -4.264 10.752 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.762 -3.940 10.172 1.00 0.00 H new ATOM 599 N SER D 40 -6.752 -2.089 7.604 1.00 0.00 N ATOM 600 CA SER D 40 -7.733 -1.161 7.075 1.00 0.00 C ATOM 601 C SER D 40 -8.622 -0.706 8.198 1.00 0.00 C ATOM 602 O SER D 40 -9.106 -1.523 8.985 1.00 0.00 O ATOM 603 CB SER D 40 -8.562 -1.839 6.009 1.00 0.00 C ATOM 604 OG SER D 40 -9.203 -2.988 6.533 1.00 0.00 O ATOM 0 H SER D 40 -7.138 -2.993 7.877 1.00 0.00 H new ATOM 0 HA SER D 40 -7.227 -0.304 6.631 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.308 -1.144 5.623 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.926 -2.121 5.170 1.00 0.00 H new ATOM 0 HG SER D 40 -9.265 -2.912 7.508 1.00 0.00 H new ATOM 610 N SER D 41 -8.824 0.581 8.302 1.00 0.00 N ATOM 611 CA SER D 41 -9.648 1.080 9.382 1.00 0.00 C ATOM 612 C SER D 41 -11.075 1.304 8.910 1.00 0.00 C ATOM 613 O SER D 41 -11.329 1.382 7.699 1.00 0.00 O ATOM 614 CB SER D 41 -9.054 2.347 9.997 1.00 0.00 C ATOM 615 OG SER D 41 -7.758 2.096 10.520 1.00 0.00 O ATOM 0 H SER D 41 -8.444 1.289 7.674 1.00 0.00 H new ATOM 0 HA SER D 41 -9.671 0.323 10.166 1.00 0.00 H new ATOM 0 HB2 SER D 41 -9.000 3.132 9.242 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.707 2.712 10.790 1.00 0.00 H new ATOM 0 HG SER D 41 -7.396 2.920 10.907 1.00 0.00 H new ATOM 621 N ASN D 42 -11.997 1.202 9.875 1.00 0.00 N ATOM 622 CA ASN D 42 -13.445 1.169 9.626 1.00 0.00 C ATOM 623 C ASN D 42 -13.868 -0.230 9.194 1.00 0.00 C ATOM 624 O ASN D 42 -15.051 -0.497 8.979 1.00 0.00 O ATOM 625 CB ASN D 42 -13.890 2.224 8.607 1.00 0.00 C ATOM 626 CG ASN D 42 -13.642 3.629 9.114 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.174 4.031 10.151 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.829 4.384 8.395 1.00 0.00 N ATOM 0 H ASN D 42 -11.756 1.139 10.864 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.946 1.418 10.561 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.353 2.075 7.670 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.951 2.097 8.390 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.622 5.337 8.693 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.409 4.013 7.543 1.00 0.00 H new ATOM 635 N ALA D 43 -12.900 -1.147 9.253 1.00 0.00 N ATOM 636 CA ALA D 43 -13.129 -2.579 9.068 1.00 0.00 C ATOM 637 C ALA D 43 -13.866 -2.924 7.774 1.00 0.00 C ATOM 638 O ALA D 43 -14.772 -3.756 7.783 1.00 0.00 O ATOM 639 CB ALA D 43 -13.876 -3.143 10.265 1.00 0.00 C ATOM 0 H ALA D 43 -11.924 -0.912 9.433 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.145 -3.040 8.986 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.043 -4.210 10.120 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.286 -2.988 11.168 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.836 -2.636 10.367 1.00 0.00 H new ATOM 645 N GLY D 44 -13.341 -2.467 6.645 1.00 0.00 N ATOM 646 CA GLY D 44 -13.842 -2.956 5.379 1.00 0.00 C ATOM 647 C GLY D 44 -14.730 -1.989 4.635 1.00 0.00 C ATOM 648 O GLY D 44 -15.556 -2.414 3.835 1.00 0.00 O ATOM 0 H GLY D 44 -12.591 -1.779 6.584 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -12.995 -3.212 4.743 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.398 -3.877 5.555 1.00 0.00 H new ATOM 652 N TYR D 45 -14.432 -0.708 4.719 1.00 0.00 N ATOM 653 CA TYR D 45 -15.076 0.252 3.846 1.00 0.00 C ATOM 654 C TYR D 45 -14.039 0.817 2.900 1.00 0.00 C ATOM 655 O TYR D 45 -12.854 0.858 3.234 1.00 0.00 O ATOM 656 CB TYR D 45 -15.759 1.384 4.622 1.00 0.00 C ATOM 657 CG TYR D 45 -16.954 0.934 5.460 1.00 0.00 C ATOM 658 CD1 TYR D 45 -18.223 1.496 5.291 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.812 -0.050 6.432 1.00 0.00 C ATOM 660 CE1 TYR D 45 -19.295 1.085 6.059 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.884 -0.462 7.198 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.120 0.108 7.008 1.00 0.00 C ATOM 663 OH TYR D 45 -20.186 -0.305 7.772 1.00 0.00 O ATOM 0 H TYR D 45 -13.757 -0.312 5.373 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.861 -0.263 3.292 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -15.026 1.854 5.277 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -16.090 2.145 3.916 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -18.368 2.265 4.547 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -15.844 -0.501 6.591 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -20.268 1.531 5.914 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.752 -1.231 7.945 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.892 -1.003 8.394 1.00 0.00 H new ATOM 673 N GLY D 46 -14.474 1.267 1.737 1.00 0.00 N ATOM 674 CA GLY D 46 -13.548 1.856 0.795 1.00 0.00 C ATOM 675 C GLY D 46 -13.352 3.315 1.077 1.00 0.00 C ATOM 676 O GLY D 46 -13.902 3.816 2.043 1.00 0.00 O ATOM 0 H GLY D 46 -15.446 1.236 1.428 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.590 1.339 0.850 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.923 1.725 -0.220 1.00 0.00 H new ATOM 680 N ILE D 47 -12.619 4.002 0.208 1.00 0.00 N ATOM 681 CA ILE D 47 -12.394 5.441 0.336 1.00 0.00 C ATOM 682 C ILE D 47 -13.683 6.135 0.629 1.00 0.00 C ATOM 683 O ILE D 47 -13.790 6.918 1.569 1.00 0.00 O ATOM 684 CB ILE D 47 -11.907 6.013 -0.974 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.695 5.257 -1.426 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.603 7.498 -0.844 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.538 5.313 -0.455 1.00 0.00 C ATOM 0 H ILE D 47 -12.165 3.581 -0.603 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.665 5.589 1.133 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.694 5.907 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.969 4.215 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.369 5.655 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.254 7.883 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.507 8.030 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.830 7.646 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.700 4.742 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.235 6.350 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.844 4.888 0.501 1.00 0.00 H new ATOM 699 N SER D 48 -14.632 5.801 -0.228 1.00 0.00 N ATOM 700 CA SER D 48 -15.998 6.298 -0.195 1.00 0.00 C ATOM 701 C SER D 48 -16.594 6.102 -1.589 1.00 0.00 C ATOM 702 O SER D 48 -16.304 5.099 -2.243 1.00 0.00 O ATOM 703 CB SER D 48 -16.040 7.763 0.270 1.00 0.00 C ATOM 704 OG SER D 48 -17.354 8.306 0.257 1.00 0.00 O ATOM 0 H SER D 48 -14.466 5.151 -0.996 1.00 0.00 H new ATOM 0 HA SER D 48 -16.596 5.745 0.529 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.633 7.831 1.279 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.397 8.363 -0.374 1.00 0.00 H new ATOM 0 HG SER D 48 -17.326 9.237 0.562 1.00 0.00 H new ATOM 710 N TYR D 49 -17.344 7.062 -2.086 1.00 0.00 N ATOM 711 CA TYR D 49 -17.865 6.972 -3.440 1.00 0.00 C ATOM 712 C TYR D 49 -16.896 7.564 -4.454 1.00 0.00 C ATOM 713 O TYR D 49 -17.127 8.635 -5.014 1.00 0.00 O ATOM 714 CB TYR D 49 -19.235 7.640 -3.523 1.00 0.00 C ATOM 715 CG TYR D 49 -19.367 8.899 -2.665 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.401 9.034 -1.734 1.00 0.00 C ATOM 717 CD2 TYR D 49 -18.451 9.945 -2.769 1.00 0.00 C ATOM 718 CE1 TYR D 49 -20.510 10.160 -0.950 1.00 0.00 C ATOM 719 CE2 TYR D 49 -18.563 11.073 -1.983 1.00 0.00 C ATOM 720 CZ TYR D 49 -19.591 11.176 -1.077 1.00 0.00 C ATOM 721 OH TYR D 49 -19.701 12.297 -0.290 1.00 0.00 O ATOM 0 H TYR D 49 -17.607 7.908 -1.581 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.981 5.918 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.439 7.898 -4.562 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.997 6.923 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.127 8.241 -1.628 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -17.639 9.871 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.316 10.246 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -17.844 11.873 -2.079 1.00 0.00 H new ATOM 0 HH TYR D 49 -18.974 12.918 -0.502 1.00 0.00 H new ATOM 731 N GLU D 50 -15.847 6.805 -4.740 1.00 0.00 N ATOM 732 CA GLU D 50 -14.864 7.180 -5.744 1.00 0.00 C ATOM 733 C GLU D 50 -14.267 5.927 -6.364 1.00 0.00 C ATOM 734 O GLU D 50 -14.536 4.819 -5.899 1.00 0.00 O ATOM 735 CB GLU D 50 -13.734 8.010 -5.125 1.00 0.00 C ATOM 736 CG GLU D 50 -14.170 9.339 -4.542 1.00 0.00 C ATOM 737 CD GLU D 50 -13.033 10.084 -3.890 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.078 10.452 -4.596 1.00 0.00 O ATOM 739 OE2 GLU D 50 -13.078 10.283 -2.664 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.655 5.914 -4.283 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.367 7.778 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.259 7.423 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.977 8.194 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.599 9.956 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -14.957 9.169 -3.808 1.00 0.00 H new ATOM 746 N ASP D 51 -13.360 6.099 -7.320 1.00 0.00 N ATOM 747 CA ASP D 51 -12.637 4.954 -7.873 1.00 0.00 C ATOM 748 C ASP D 51 -11.148 5.247 -7.957 1.00 0.00 C ATOM 749 O ASP D 51 -10.745 6.338 -8.350 1.00 0.00 O ATOM 750 CB ASP D 51 -13.141 4.574 -9.259 1.00 0.00 C ATOM 751 CG ASP D 51 -14.640 4.383 -9.327 1.00 0.00 C ATOM 752 OD1 ASP D 51 -15.165 3.516 -8.609 1.00 0.00 O ATOM 753 OD2 ASP D 51 -15.291 5.094 -10.116 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.109 7.002 -7.724 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.815 4.118 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.849 5.349 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.651 3.653 -9.575 1.00 0.00 H new ATOM 758 N LYS D 52 -10.339 4.285 -7.520 1.00 0.00 N ATOM 759 CA LYS D 52 -8.896 4.436 -7.462 1.00 0.00 C ATOM 760 C LYS D 52 -8.248 3.155 -7.934 1.00 0.00 C ATOM 761 O LYS D 52 -8.633 2.078 -7.491 1.00 0.00 O ATOM 762 CB LYS D 52 -8.411 4.707 -6.039 1.00 0.00 C ATOM 763 CG LYS D 52 -8.824 6.035 -5.416 1.00 0.00 C ATOM 764 CD LYS D 52 -10.329 6.203 -5.283 1.00 0.00 C ATOM 765 CE LYS D 52 -10.664 7.313 -4.305 1.00 0.00 C ATOM 766 NZ LYS D 52 -10.117 8.626 -4.743 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.672 3.377 -7.196 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.626 5.282 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.773 3.903 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.322 4.653 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.369 6.121 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.428 6.850 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.762 6.429 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.775 5.268 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.746 7.388 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -10.264 7.063 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.340 8.906 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.760 8.546 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -10.868 9.344 -4.708 1.00 0.00 H new ATOM 780 N ASN D 53 -7.207 3.258 -8.734 1.00 0.00 N ATOM 781 CA ASN D 53 -6.457 2.076 -9.126 1.00 0.00 C ATOM 782 C ASN D 53 -5.051 2.139 -8.579 1.00 0.00 C ATOM 783 O ASN D 53 -4.433 3.204 -8.545 1.00 0.00 O ATOM 784 CB ASN D 53 -6.446 1.887 -10.641 1.00 0.00 C ATOM 785 CG ASN D 53 -7.781 1.399 -11.178 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.920 1.154 -12.377 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.784 1.272 -10.310 1.00 0.00 N ATOM 0 H ASN D 53 -6.862 4.135 -9.123 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.959 1.208 -8.698 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -6.190 2.832 -11.120 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.668 1.173 -10.909 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.701 0.963 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.634 1.483 -9.323 1.00 0.00 H new ATOM 794 N TRP D 54 -4.610 1.032 -8.012 1.00 0.00 N ATOM 795 CA TRP D 54 -3.346 1.007 -7.306 1.00 0.00 C ATOM 796 C TRP D 54 -2.404 -0.064 -7.797 1.00 0.00 C ATOM 797 O TRP D 54 -2.824 -1.107 -8.302 1.00 0.00 O ATOM 798 CB TRP D 54 -3.566 0.801 -5.818 1.00 0.00 C ATOM 799 CG TRP D 54 -3.414 2.052 -5.043 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.155 3.192 -5.107 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.378 2.290 -4.119 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.628 4.128 -4.247 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.528 3.587 -3.635 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.333 1.513 -3.652 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.649 4.120 -2.707 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.481 2.050 -2.730 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.638 3.341 -2.269 1.00 0.00 C ATOM 0 H TRP D 54 -5.107 0.142 -8.027 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.886 1.976 -7.501 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.564 0.396 -5.655 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.857 0.060 -5.448 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.021 3.339 -5.735 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.995 5.067 -4.091 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.194 0.503 -4.009 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.769 5.130 -2.344 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.334 1.451 -2.353 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.060 3.735 -1.545 1.00 0.00 H new ATOM 818 N GLY D 55 -1.130 0.140 -7.484 1.00 0.00 N ATOM 819 CA GLY D 55 -0.146 -0.875 -7.738 1.00 0.00 C ATOM 820 C GLY D 55 0.981 -0.874 -6.725 1.00 0.00 C ATOM 821 O GLY D 55 1.291 0.136 -6.093 1.00 0.00 O ATOM 0 H GLY D 55 -0.768 0.994 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.630 -1.852 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.269 -0.729 -8.735 1.00 0.00 H new ATOM 825 N ILE D 56 1.613 -2.016 -6.653 1.00 0.00 N ATOM 826 CA ILE D 56 2.779 -2.279 -5.816 1.00 0.00 C ATOM 827 C ILE D 56 3.866 -2.824 -6.722 1.00 0.00 C ATOM 828 O ILE D 56 3.659 -3.835 -7.387 1.00 0.00 O ATOM 829 CB ILE D 56 2.423 -3.326 -4.740 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.324 -2.795 -3.820 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.645 -3.712 -3.926 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.790 -3.839 -2.869 1.00 0.00 C ATOM 0 H ILE D 56 1.325 -2.831 -7.195 1.00 0.00 H new ATOM 0 HA ILE D 56 3.111 -1.370 -5.314 1.00 0.00 H new ATOM 0 HB ILE D 56 2.057 -4.218 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.714 -1.955 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.504 -2.412 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.364 -4.451 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.403 -4.135 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.047 -2.828 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.013 -3.398 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.371 -4.669 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.600 -4.204 -2.238 1.00 0.00 H new ATOM 844 N PHE D 57 4.904 -2.043 -6.938 1.00 0.00 N ATOM 845 CA PHE D 57 5.852 -2.372 -7.992 1.00 0.00 C ATOM 846 C PHE D 57 7.149 -2.906 -7.405 1.00 0.00 C ATOM 847 O PHE D 57 7.986 -2.142 -6.934 1.00 0.00 O ATOM 848 CB PHE D 57 6.124 -1.155 -8.900 1.00 0.00 C ATOM 849 CG PHE D 57 4.873 -0.508 -9.451 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.047 0.257 -8.639 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.500 -0.693 -10.772 1.00 0.00 C ATOM 852 CE1 PHE D 57 2.896 0.816 -9.121 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.340 -0.120 -11.264 1.00 0.00 C ATOM 854 CZ PHE D 57 2.540 0.635 -10.430 1.00 0.00 C ATOM 0 H PHE D 57 5.114 -1.194 -6.413 1.00 0.00 H new ATOM 0 HA PHE D 57 5.407 -3.154 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.687 -0.412 -8.335 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.755 -1.469 -9.732 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.319 0.414 -7.606 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.120 -1.290 -11.424 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.267 1.402 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.062 -0.263 -12.298 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.634 1.083 -10.810 1.00 0.00 H new ATOM 864 N VAL D 58 7.315 -4.222 -7.471 1.00 0.00 N ATOM 865 CA VAL D 58 8.523 -4.874 -6.986 1.00 0.00 C ATOM 866 C VAL D 58 9.507 -5.096 -8.131 1.00 0.00 C ATOM 867 O VAL D 58 9.262 -5.916 -9.019 1.00 0.00 O ATOM 868 CB VAL D 58 8.196 -6.218 -6.287 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.463 -6.940 -5.873 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.329 -5.979 -5.066 1.00 0.00 C ATOM 0 H VAL D 58 6.622 -4.862 -7.859 1.00 0.00 H new ATOM 0 HA VAL D 58 8.984 -4.216 -6.249 1.00 0.00 H new ATOM 0 HB VAL D 58 7.656 -6.841 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.204 -7.880 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.070 -7.145 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.028 -6.316 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.107 -6.932 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.858 -5.333 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.398 -5.500 -5.369 1.00 0.00 H new ATOM 880 N ASN D 59 10.600 -4.329 -8.113 1.00 0.00 N ATOM 881 CA ASN D 59 11.629 -4.382 -9.159 1.00 0.00 C ATOM 882 C ASN D 59 11.039 -4.043 -10.523 1.00 0.00 C ATOM 883 O ASN D 59 11.198 -4.797 -11.484 1.00 0.00 O ATOM 884 CB ASN D 59 12.307 -5.759 -9.215 1.00 0.00 C ATOM 885 CG ASN D 59 13.008 -6.117 -7.919 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.378 -6.240 -6.873 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.320 -6.285 -7.976 1.00 0.00 N ATOM 0 H ASN D 59 10.798 -3.654 -7.375 1.00 0.00 H new ATOM 0 HA ASN D 59 12.383 -3.638 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.559 -6.519 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.030 -5.771 -10.030 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.841 -6.525 -7.132 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.810 -6.175 -8.864 1.00 0.00 H new ATOM 894 N GLY D 60 10.350 -2.908 -10.596 1.00 0.00 N ATOM 895 CA GLY D 60 9.729 -2.485 -11.834 1.00 0.00 C ATOM 896 C GLY D 60 8.713 -3.483 -12.335 1.00 0.00 C ATOM 897 O GLY D 60 8.717 -3.864 -13.506 1.00 0.00 O ATOM 0 H GLY D 60 10.211 -2.271 -9.812 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.244 -1.520 -11.684 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.498 -2.340 -12.593 1.00 0.00 H new ATOM 901 N GLU D 61 7.860 -3.922 -11.430 1.00 0.00 N ATOM 902 CA GLU D 61 6.835 -4.907 -11.738 1.00 0.00 C ATOM 903 C GLU D 61 5.638 -4.710 -10.823 1.00 0.00 C ATOM 904 O GLU D 61 5.738 -4.929 -9.616 1.00 0.00 O ATOM 905 CB GLU D 61 7.395 -6.325 -11.565 1.00 0.00 C ATOM 906 CG GLU D 61 6.383 -7.432 -11.826 1.00 0.00 C ATOM 907 CD GLU D 61 6.969 -8.809 -11.629 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.241 -9.799 -11.824 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.158 -8.906 -11.278 1.00 0.00 O1- ATOM 0 H GLU D 61 7.856 -3.607 -10.460 1.00 0.00 H new ATOM 0 HA GLU D 61 6.520 -4.776 -12.773 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.241 -6.454 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.779 -6.431 -10.550 1.00 0.00 H new ATOM 0 HG2 GLU D 61 5.530 -7.305 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.007 -7.343 -12.845 1.00 0.00 H new ATOM 916 N LYS D 62 4.493 -4.365 -11.397 1.00 0.00 N ATOM 917 CA LYS D 62 3.277 -4.232 -10.609 1.00 0.00 C ATOM 918 C LYS D 62 2.822 -5.620 -10.176 1.00 0.00 C ATOM 919 O LYS D 62 2.361 -6.417 -10.995 1.00 0.00 O ATOM 920 CB LYS D 62 2.188 -3.520 -11.417 1.00 0.00 C ATOM 921 CG LYS D 62 0.907 -3.258 -10.635 1.00 0.00 C ATOM 922 CD LYS D 62 -0.116 -2.445 -11.435 1.00 0.00 C ATOM 923 CE LYS D 62 -0.684 -3.198 -12.640 1.00 0.00 C ATOM 924 NZ LYS D 62 0.332 -3.494 -13.688 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.382 -4.174 -12.393 1.00 0.00 H new ATOM 0 HA LYS D 62 3.473 -3.626 -9.724 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.581 -2.570 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.949 -4.121 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.462 -4.210 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.150 -2.726 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.936 -2.158 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.353 -1.524 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -1.125 -4.134 -12.298 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.488 -2.609 -13.081 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.107 -3.418 -14.628 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 1.114 -2.813 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.699 -4.458 -13.554 1.00 0.00 H new ATOM 938 N VAL D 63 3.154 -5.964 -8.943 1.00 0.00 N ATOM 939 CA VAL D 63 3.001 -7.320 -8.457 1.00 0.00 C ATOM 940 C VAL D 63 1.598 -7.561 -7.892 1.00 0.00 C ATOM 941 O VAL D 63 1.043 -8.653 -8.027 1.00 0.00 O ATOM 942 CB VAL D 63 4.090 -7.625 -7.414 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.956 -6.750 -6.177 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.123 -9.093 -7.043 1.00 0.00 C ATOM 0 H VAL D 63 3.535 -5.313 -8.256 1.00 0.00 H new ATOM 0 HA VAL D 63 3.122 -8.005 -9.296 1.00 0.00 H new ATOM 0 HB VAL D 63 5.044 -7.384 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.745 -6.999 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.042 -5.701 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.984 -6.921 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.906 -9.264 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.160 -9.384 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.327 -9.689 -7.933 1.00 0.00 H new ATOM 954 N TYR D 64 0.995 -6.511 -7.338 1.00 0.00 N ATOM 955 CA TYR D 64 -0.374 -6.590 -6.846 1.00 0.00 C ATOM 956 C TYR D 64 -1.157 -5.340 -7.236 1.00 0.00 C ATOM 957 O TYR D 64 -0.727 -4.218 -6.960 1.00 0.00 O ATOM 958 CB TYR D 64 -0.403 -6.770 -5.324 1.00 0.00 C ATOM 959 CG TYR D 64 -1.807 -6.883 -4.759 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.760 -7.685 -5.376 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.186 -6.177 -3.622 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.044 -7.777 -4.879 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.467 -6.270 -3.119 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.392 -7.068 -3.752 1.00 0.00 C ATOM 965 OH TYR D 64 -5.675 -7.150 -3.262 1.00 0.00 O ATOM 0 H TYR D 64 1.434 -5.598 -7.220 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.843 -7.460 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.160 -7.665 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.103 -5.926 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.491 -8.245 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.465 -5.545 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.773 -8.403 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.743 -5.719 -2.232 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.929 -8.092 -3.167 1.00 0.00 H new ATOM 975 N THR D 65 -2.338 -5.542 -7.808 1.00 0.00 N ATOM 976 CA THR D 65 -3.220 -4.438 -8.151 1.00 0.00 C ATOM 977 C THR D 65 -4.466 -4.464 -7.274 1.00 0.00 C ATOM 978 O THR D 65 -5.345 -5.308 -7.460 1.00 0.00 O ATOM 979 CB THR D 65 -3.624 -4.502 -9.606 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.490 -4.504 -10.455 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.525 -3.359 -10.045 1.00 0.00 C ATOM 0 H THR D 65 -2.706 -6.464 -8.044 1.00 0.00 H new ATOM 0 HA THR D 65 -2.677 -3.509 -7.979 1.00 0.00 H new ATOM 0 HB THR D 65 -4.182 -5.434 -9.694 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.565 -5.239 -11.099 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.772 -3.475 -11.100 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.441 -3.371 -9.455 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.009 -2.411 -9.895 1.00 0.00 H new ATOM 989 N PHE D 66 -4.605 -3.472 -6.414 1.00 0.00 N ATOM 990 CA PHE D 66 -5.824 -3.327 -5.639 1.00 0.00 C ATOM 991 C PHE D 66 -6.466 -2.006 -5.980 1.00 0.00 C ATOM 992 O PHE D 66 -5.786 -1.050 -6.331 1.00 0.00 O ATOM 993 CB PHE D 66 -5.563 -3.459 -4.132 1.00 0.00 C ATOM 994 CG PHE D 66 -4.718 -2.381 -3.482 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.434 -2.660 -3.033 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.232 -1.110 -3.257 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.681 -1.694 -2.383 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.484 -0.143 -2.615 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.207 -0.433 -2.176 1.00 0.00 C ATOM 0 H PHE D 66 -3.896 -2.761 -6.235 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.508 -4.135 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.526 -3.487 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.081 -4.420 -3.955 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.016 -3.643 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.232 -0.875 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.684 -1.927 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.898 0.842 -2.456 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.622 0.323 -1.673 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.767 -1.946 -5.881 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.470 -0.722 -6.171 1.00 0.00 C ATOM 1011 C ASN D 67 -9.266 -0.306 -4.958 1.00 0.00 C ATOM 1012 O ASN D 67 -9.784 -1.151 -4.246 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.355 -0.876 -7.418 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.318 -2.041 -7.346 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -11.207 -2.078 -6.510 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -10.141 -3.009 -8.229 1.00 0.00 N ATOM 0 H ASN D 67 -8.361 -2.727 -5.603 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.751 0.065 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -9.922 0.043 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -8.716 -0.999 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -10.758 -3.821 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.387 -2.944 -8.913 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.294 0.990 -4.686 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.964 1.515 -3.500 1.00 0.00 C ATOM 1025 C GLU D 68 -11.468 1.337 -3.620 1.00 0.00 C ATOM 1026 O GLU D 68 -12.199 1.396 -2.630 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.623 2.979 -3.344 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.131 3.248 -3.308 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.498 2.948 -1.969 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.282 3.173 -1.835 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.217 2.491 -1.060 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.859 1.703 -5.272 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.624 0.967 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.066 3.538 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.075 3.354 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.643 2.647 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.952 4.293 -3.560 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.882 0.942 -4.816 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.246 0.527 -5.063 1.00 0.00 C ATOM 1040 C LYS D 69 -13.504 -0.696 -4.217 1.00 0.00 C ATOM 1041 O LYS D 69 -14.435 -0.734 -3.410 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.399 0.147 -6.518 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.926 1.222 -7.475 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.067 0.803 -8.942 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.519 0.604 -9.386 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.205 -0.517 -8.682 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.279 0.902 -5.638 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.942 1.331 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.839 -0.769 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.447 -0.073 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.498 2.134 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.882 1.457 -7.266 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -12.603 1.561 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.517 -0.125 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.074 1.526 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.540 0.416 -10.460 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -15.888 -0.965 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.501 -1.220 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.706 -0.149 -7.848 1.00 0.00 H new ATOM 1060 N SER D 70 -12.520 -1.589 -4.261 1.00 0.00 N ATOM 1061 CA SER D 70 -12.461 -2.693 -3.344 1.00 0.00 C ATOM 1062 C SER D 70 -12.227 -2.126 -1.961 1.00 0.00 C ATOM 1063 O SER D 70 -11.299 -1.348 -1.758 1.00 0.00 O ATOM 1064 CB SER D 70 -11.338 -3.665 -3.719 1.00 0.00 C ATOM 1065 OG SER D 70 -11.348 -4.810 -2.877 1.00 0.00 O ATOM 0 H SER D 70 -11.753 -1.558 -4.932 1.00 0.00 H new ATOM 0 HA SER D 70 -13.395 -3.254 -3.378 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.452 -3.973 -4.758 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.375 -3.160 -3.640 1.00 0.00 H new ATOM 0 HG SER D 70 -10.623 -5.415 -3.139 1.00 0.00 H new ATOM 1071 N THR D 71 -13.083 -2.477 -1.027 1.00 0.00 N ATOM 1072 CA THR D 71 -12.966 -1.972 0.326 1.00 0.00 C ATOM 1073 C THR D 71 -11.570 -2.257 0.866 1.00 0.00 C ATOM 1074 O THR D 71 -11.094 -3.385 0.772 1.00 0.00 O ATOM 1075 CB THR D 71 -14.026 -2.628 1.188 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.899 -4.038 1.168 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.435 -2.292 0.750 1.00 0.00 C ATOM 0 H THR D 71 -13.868 -3.110 -1.178 1.00 0.00 H new ATOM 0 HA THR D 71 -13.118 -0.893 0.338 1.00 0.00 H new ATOM 0 HB THR D 71 -13.863 -2.236 2.192 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.593 -4.437 1.733 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.149 -2.791 1.406 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.585 -1.214 0.804 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.587 -2.629 -0.275 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.870 -1.215 1.332 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.499 -1.346 1.776 1.00 0.00 C ATOM 1087 C VAL D 72 -9.375 -2.422 2.853 1.00 0.00 C ATOM 1088 O VAL D 72 -8.306 -3.000 3.054 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.889 -0.007 2.261 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.629 0.279 1.483 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.850 1.162 2.063 1.00 0.00 C ATOM 0 H VAL D 72 -11.245 -0.269 1.407 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.920 -1.653 0.905 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.680 -0.108 3.326 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.198 1.221 1.822 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.912 -0.527 1.642 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.865 0.350 0.421 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.383 2.081 2.416 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.090 1.261 1.004 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.765 0.980 2.627 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.525 -2.810 3.396 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.613 -3.945 4.273 1.00 0.00 C ATOM 1103 C GLY D 73 -10.429 -5.252 3.549 1.00 0.00 C ATOM 1104 O GLY D 73 -9.511 -6.006 3.851 1.00 0.00 O ATOM 0 H GLY D 73 -11.415 -2.339 3.233 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.857 -3.856 5.053 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.584 -3.942 4.769 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.269 -5.487 2.545 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.160 -6.683 1.711 1.00 0.00 C ATOM 1110 C ASN D 74 -9.823 -6.702 0.986 1.00 0.00 C ATOM 1111 O ASN D 74 -9.284 -7.763 0.674 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.303 -6.723 0.693 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.241 -7.948 -0.196 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.311 -9.079 0.286 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.110 -7.733 -1.497 1.00 0.00 N ATOM 0 H ASN D 74 -12.035 -4.864 2.288 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.225 -7.561 2.354 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.257 -6.708 1.221 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.267 -5.826 0.075 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.063 -8.522 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.056 -6.779 -1.853 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.251 -5.524 0.809 1.00 0.00 N ATOM 1123 CA ILE D 75 -7.925 -5.403 0.212 1.00 0.00 C ATOM 1124 C ILE D 75 -6.855 -5.859 1.199 1.00 0.00 C ATOM 1125 O ILE D 75 -5.928 -6.564 0.833 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.622 -3.960 -0.208 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.644 -3.428 -1.230 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.209 -3.847 -0.753 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.375 -1.994 -1.624 1.00 0.00 C ATOM 0 H ILE D 75 -9.680 -4.636 1.069 1.00 0.00 H new ATOM 0 HA ILE D 75 -7.914 -6.037 -0.675 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.704 -3.339 0.684 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.623 -4.056 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.647 -3.504 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.013 -2.815 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.497 -4.147 0.016 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.101 -4.497 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.124 -1.668 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.423 -1.359 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.384 -1.919 -2.071 1.00 0.00 H new ATOM 1141 N SER D 76 -7.007 -5.482 2.460 1.00 0.00 N ATOM 1142 CA SER D 76 -6.069 -5.901 3.494 1.00 0.00 C ATOM 1143 C SER D 76 -6.311 -7.347 3.886 1.00 0.00 C ATOM 1144 O SER D 76 -5.364 -8.074 4.183 1.00 0.00 O ATOM 1145 CB SER D 76 -6.158 -4.968 4.702 1.00 0.00 C ATOM 1146 OG SER D 76 -5.398 -5.448 5.802 1.00 0.00 O ATOM 0 H SER D 76 -7.768 -4.889 2.792 1.00 0.00 H new ATOM 0 HA SER D 76 -5.057 -5.836 3.095 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.803 -3.976 4.421 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.201 -4.860 5.001 1.00 0.00 H new ATOM 0 HG SER D 76 -4.763 -6.126 5.490 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.533 -7.818 3.660 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.816 -9.245 3.758 1.00 0.00 C ATOM 1154 C ASN D 77 -7.014 -9.982 2.703 1.00 0.00 C ATOM 1155 O ASN D 77 -6.736 -11.159 2.844 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.307 -9.545 3.573 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.176 -9.027 4.702 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -11.395 -9.178 4.668 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -9.565 -8.426 5.712 1.00 0.00 N ATOM 0 H ASN D 77 -8.335 -7.240 3.410 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.533 -9.580 4.756 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.644 -9.104 2.635 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.444 -10.623 3.486 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -10.109 -8.070 6.498 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -8.551 -8.320 5.704 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.568 -9.233 1.700 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.677 -9.746 0.665 1.00 0.00 C ATOM 1168 C ASP D 78 -4.207 -9.495 0.997 1.00 0.00 C ATOM 1169 O ASP D 78 -3.355 -10.318 0.692 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.001 -9.129 -0.700 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.323 -9.606 -1.258 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.706 -9.146 -2.350 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.972 -10.454 -0.616 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.815 -8.250 1.582 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.841 -10.823 0.623 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.021 -8.043 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.205 -9.374 -1.403 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.883 -8.284 1.439 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.479 -7.900 1.573 1.00 0.00 C ATOM 1180 C ILE D 79 -1.785 -8.680 2.679 1.00 0.00 C ATOM 1181 O ILE D 79 -0.621 -9.061 2.539 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.300 -6.379 1.815 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.050 -5.590 0.746 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.824 -6.005 1.761 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.944 -4.094 0.912 1.00 0.00 C ATOM 0 H ILE D 79 -4.555 -7.565 1.706 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.011 -8.147 0.620 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.699 -6.138 2.800 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.664 -5.866 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.102 -5.876 0.767 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.713 -4.934 1.933 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.281 -6.554 2.531 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.420 -6.259 0.781 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.501 -3.599 0.117 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.357 -3.805 1.878 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -1.897 -3.796 0.861 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.526 -9.004 3.726 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.015 -9.839 4.794 1.00 0.00 C ATOM 1199 C ASN D 80 -1.703 -11.242 4.294 1.00 0.00 C ATOM 1200 O ASN D 80 -1.039 -12.015 4.979 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.009 -9.886 5.950 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.110 -8.559 6.676 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.460 -7.540 6.085 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.793 -8.565 7.961 1.00 0.00 N ATOM 0 H ASN D 80 -3.490 -8.697 3.857 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.084 -9.400 5.153 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.992 -10.166 5.570 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.707 -10.661 6.655 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -2.834 -7.700 8.500 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.508 -9.434 8.412 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.186 -11.567 3.098 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.947 -12.874 2.500 1.00 0.00 C ATOM 1213 C LYS D 81 -0.702 -12.797 1.632 1.00 0.00 C ATOM 1214 O LYS D 81 0.252 -13.556 1.787 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.110 -13.301 1.610 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.436 -12.742 2.055 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.716 -13.028 3.518 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.028 -14.493 3.775 1.00 0.00 C ATOM 1219 NZ LYS D 81 -5.286 -14.758 5.216 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.748 -10.939 2.523 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.831 -13.598 3.307 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.913 -12.980 0.587 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.168 -14.389 1.597 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -4.449 -11.665 1.888 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -5.232 -13.169 1.444 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -3.852 -12.734 4.114 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.556 -12.417 3.850 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.899 -14.787 3.190 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -4.194 -15.107 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -5.495 -15.768 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -4.446 -14.501 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -6.098 -14.191 5.533 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.773 -11.879 0.670 1.00 0.00 N ATOM 1234 CA LEU D 82 0.266 -11.653 -0.320 1.00 0.00 C ATOM 1235 C LEU D 82 1.626 -11.352 0.304 1.00 0.00 C ATOM 1236 O LEU D 82 2.653 -11.528 -0.350 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.165 -10.503 -1.215 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.187 -10.865 -2.301 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.531 -11.682 -3.397 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.382 -11.632 -1.759 1.00 0.00 C ATOM 0 H LEU D 82 -1.576 -11.259 0.559 1.00 0.00 H new ATOM 0 HA LEU D 82 0.390 -12.570 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.587 -9.716 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.720 -10.087 -1.696 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.553 -9.919 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.271 -11.930 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.275 -11.104 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.125 -12.601 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.069 -11.859 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.041 -12.561 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.894 -11.027 -1.011 1.00 0.00 H new ATOM 1252 N ASN D 83 1.602 -10.859 1.550 1.00 0.00 N ATOM 1253 CA ASN D 83 2.808 -10.452 2.298 1.00 0.00 C ATOM 1254 C ASN D 83 3.900 -9.892 1.403 1.00 0.00 C ATOM 1255 O ASN D 83 4.934 -10.530 1.195 1.00 0.00 O ATOM 1256 CB ASN D 83 3.382 -11.597 3.133 1.00 0.00 C ATOM 1257 CG ASN D 83 2.486 -11.966 4.288 1.00 0.00 C ATOM 1258 OD1 ASN D 83 1.386 -12.470 4.098 1.00 0.00 O ATOM 1259 ND2 ASN D 83 2.945 -11.689 5.496 1.00 0.00 N ATOM 0 H ASN D 83 0.738 -10.729 2.076 1.00 0.00 H new ATOM 0 HA ASN D 83 2.472 -9.657 2.964 1.00 0.00 H new ATOM 0 HB2 ASN D 83 3.529 -12.470 2.497 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.363 -11.311 3.513 1.00 0.00 H new ATOM 0 HD21 ASN D 83 2.376 -11.895 6.317 1.00 0.00 H new ATOM 0 HD22 ASN D 83 3.868 -11.269 5.607 1.00 0.00 H new ATOM 1266 N ILE D 84 3.669 -8.708 0.865 1.00 0.00 N ATOM 1267 CA ILE D 84 4.639 -8.098 -0.016 1.00 0.00 C ATOM 1268 C ILE D 84 5.678 -7.309 0.777 1.00 0.00 C ATOM 1269 O ILE D 84 5.438 -6.175 1.187 1.00 0.00 O ATOM 1270 CB ILE D 84 3.954 -7.195 -1.059 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.884 -7.991 -1.810 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.973 -6.638 -2.042 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.158 -7.184 -2.860 1.00 0.00 C ATOM 0 H ILE D 84 2.825 -8.157 1.023 1.00 0.00 H new ATOM 0 HA ILE D 84 5.151 -8.900 -0.548 1.00 0.00 H new ATOM 0 HB ILE D 84 3.485 -6.359 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE D 84 3.351 -8.854 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.159 -8.376 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.467 -6.003 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.716 -6.051 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.467 -7.461 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.415 -7.812 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.662 -6.336 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.873 -6.821 -3.599 1.00 0.00 H new ATOM 1285 N LYS D 85 6.832 -7.934 0.994 1.00 0.00 N ATOM 1286 CA LYS D 85 7.917 -7.314 1.743 1.00 0.00 C ATOM 1287 C LYS D 85 9.272 -7.510 1.056 1.00 0.00 C ATOM 1288 O LYS D 85 9.941 -8.523 1.222 1.00 0.00 O ATOM 1289 CB LYS D 85 7.915 -7.812 3.208 1.00 0.00 C ATOM 1290 CG LYS D 85 7.490 -9.281 3.419 1.00 0.00 C ATOM 1291 CD LYS D 85 8.403 -10.333 2.782 1.00 0.00 C ATOM 1292 CE LYS D 85 9.771 -10.426 3.460 1.00 0.00 C ATOM 1293 NZ LYS D 85 10.589 -11.538 2.913 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.039 -8.875 0.659 1.00 0.00 H new ATOM 0 HA LYS D 85 7.747 -6.238 1.762 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.917 -7.681 3.617 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.248 -7.174 3.788 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.436 -9.474 4.490 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.484 -9.410 3.020 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.914 -11.306 2.828 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.542 -10.095 1.727 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.305 -9.485 3.329 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.635 -10.569 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 11.508 -11.565 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 10.092 -12.440 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 10.741 -11.389 1.895 1.00 0.00 H new ATOM 1307 N GLY D 86 9.661 -6.521 0.262 1.00 0.00 N ATOM 1308 CA GLY D 86 10.915 -6.585 -0.466 1.00 0.00 C ATOM 1309 C GLY D 86 10.898 -7.603 -1.587 1.00 0.00 C ATOM 1310 O GLY D 86 10.162 -8.592 -1.536 1.00 0.00 O ATOM 0 H GLY D 86 9.125 -5.667 0.108 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.139 -5.602 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.719 -6.830 0.228 1.00 0.00 H new ATOM 1314 N PRO D 87 11.712 -7.392 -2.625 1.00 0.00 N ATOM 1315 CA PRO D 87 12.598 -6.240 -2.737 1.00 0.00 C ATOM 1316 C PRO D 87 11.939 -5.060 -3.465 1.00 0.00 C ATOM 1317 O PRO D 87 10.756 -5.138 -3.777 1.00 0.00 O ATOM 1318 CB PRO D 87 13.757 -6.823 -3.535 1.00 0.00 C ATOM 1319 CG PRO D 87 13.151 -7.872 -4.408 1.00 0.00 C ATOM 1320 CD PRO D 87 11.829 -8.269 -3.790 1.00 0.00 C ATOM 0 HA PRO D 87 12.887 -5.817 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.250 -6.054 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.513 -7.250 -2.875 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.003 -7.491 -5.419 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.812 -8.735 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.002 -8.123 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.822 -9.320 -3.502 1.00 0.00 H new ATOM 1328 N TYR D 88 12.716 -3.973 -3.660 1.00 0.00 N ATOM 1329 CA TYR D 88 12.274 -2.696 -4.284 1.00 0.00 C ATOM 1330 C TYR D 88 10.772 -2.618 -4.530 1.00 0.00 C ATOM 1331 O TYR D 88 10.281 -3.072 -5.560 1.00 0.00 O ATOM 1332 CB TYR D 88 12.992 -2.456 -5.619 1.00 0.00 C ATOM 1333 CG TYR D 88 14.500 -2.434 -5.521 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.208 -1.252 -5.681 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.215 -3.600 -5.297 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.587 -1.233 -5.613 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.593 -3.591 -5.225 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.274 -2.404 -5.382 1.00 0.00 C ATOM 1339 OH TYR D 88 18.648 -2.390 -5.317 1.00 0.00 O ATOM 0 H TYR D 88 13.697 -3.954 -3.382 1.00 0.00 H new ATOM 0 HA TYR D 88 12.536 -1.925 -3.559 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.697 -3.235 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.653 -1.507 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.672 -0.332 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.684 -4.533 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.124 -0.305 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.134 -4.509 -5.047 1.00 0.00 H new ATOM 0 HH TYR D 88 18.977 -3.297 -5.147 1.00 0.00 H new ATOM 1349 N ILE D 89 10.047 -2.056 -3.578 1.00 0.00 N ATOM 1350 CA ILE D 89 8.602 -1.952 -3.685 1.00 0.00 C ATOM 1351 C ILE D 89 8.153 -0.517 -3.883 1.00 0.00 C ATOM 1352 O ILE D 89 8.580 0.391 -3.175 1.00 0.00 O ATOM 1353 CB ILE D 89 7.924 -2.543 -2.437 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.299 -4.020 -2.292 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.420 -2.421 -2.547 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.699 -4.668 -1.071 1.00 0.00 C ATOM 0 H ILE D 89 10.436 -1.664 -2.721 1.00 0.00 H new ATOM 0 HA ILE D 89 8.302 -2.523 -4.563 1.00 0.00 H new ATOM 0 HB ILE D 89 8.266 -1.989 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.971 -4.560 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.384 -4.110 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.955 -2.844 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.146 -1.370 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.075 -2.962 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.003 -5.714 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.047 -4.151 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.612 -4.609 -1.125 1.00 0.00 H new ATOM 1368 N GLU D 90 7.232 -0.346 -4.816 1.00 0.00 N ATOM 1369 CA GLU D 90 6.633 0.949 -5.093 1.00 0.00 C ATOM 1370 C GLU D 90 5.117 0.868 -4.932 1.00 0.00 C ATOM 1371 O GLU D 90 4.407 0.547 -5.876 1.00 0.00 O ATOM 1372 CB GLU D 90 6.976 1.391 -6.520 1.00 0.00 C ATOM 1373 CG GLU D 90 8.468 1.548 -6.786 1.00 0.00 C ATOM 1374 CD GLU D 90 9.080 2.724 -6.059 1.00 0.00 C ATOM 1375 OE1 GLU D 90 9.009 2.769 -4.819 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.636 3.606 -6.736 1.00 0.00 O1- ATOM 0 H GLU D 90 6.878 -1.101 -5.403 1.00 0.00 H new ATOM 0 HA GLU D 90 7.030 1.678 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.568 0.663 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.481 2.341 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.982 0.635 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.629 1.667 -7.857 1.00 0.00 H new ATOM 1383 N ILE D 91 4.624 1.117 -3.734 1.00 0.00 N ATOM 1384 CA ILE D 91 3.193 1.030 -3.470 1.00 0.00 C ATOM 1385 C ILE D 91 2.593 2.436 -3.581 1.00 0.00 C ATOM 1386 O ILE D 91 2.833 3.277 -2.712 1.00 0.00 O ATOM 1387 CB ILE D 91 2.930 0.460 -2.052 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.923 -0.634 -1.710 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.541 -0.143 -1.941 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.707 -1.216 -0.330 1.00 0.00 C ATOM 0 H ILE D 91 5.189 1.381 -2.927 1.00 0.00 H new ATOM 0 HA ILE D 91 2.731 0.361 -4.196 1.00 0.00 H new ATOM 0 HB ILE D 91 3.031 1.299 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.848 -1.430 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.934 -0.233 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.393 -0.532 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.794 0.623 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.438 -0.954 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.448 -1.994 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.811 -0.429 0.417 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.707 -1.645 -0.269 1.00 0.00 H new ATOM 1402 N LYS D 92 1.810 2.696 -4.638 1.00 0.00 N ATOM 1403 CA LYS D 92 1.179 4.002 -4.828 1.00 0.00 C ATOM 1404 C LYS D 92 0.048 3.873 -5.841 1.00 0.00 C ATOM 1405 O LYS D 92 -0.065 2.845 -6.515 1.00 0.00 O ATOM 1406 CB LYS D 92 2.198 5.061 -5.300 1.00 0.00 C ATOM 1407 CG LYS D 92 2.315 5.231 -6.816 1.00 0.00 C ATOM 1408 CD LYS D 92 2.799 3.993 -7.561 1.00 0.00 C ATOM 1409 CE LYS D 92 2.738 4.242 -9.067 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.695 3.409 -9.840 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.601 2.018 -5.371 1.00 0.00 H new ATOM 0 HA LYS D 92 0.781 4.334 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.926 6.022 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.179 4.798 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.341 5.519 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS D 92 2.999 6.054 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.820 3.753 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.181 3.134 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.726 4.043 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.943 5.295 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.640 3.661 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.661 3.578 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.455 2.404 -9.721 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.731 4.934 -6.024 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.761 4.904 -7.048 1.00 0.00 C ATOM 1426 C GLN D 93 -1.185 5.205 -8.412 1.00 0.00 C ATOM 1427 O GLN D 93 -0.030 5.605 -8.550 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.909 5.850 -6.764 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.482 7.290 -6.641 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.634 8.204 -6.282 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.629 8.275 -7.001 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.507 8.911 -5.171 1.00 0.00 N ATOM 0 H GLN D 93 -0.671 5.802 -5.491 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.160 3.890 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.646 5.764 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.402 5.545 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.706 7.372 -5.880 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.042 7.617 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.664 8.822 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.252 9.545 -4.882 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.955 4.873 -9.415 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.506 4.939 -10.784 1.00 0.00 C ATOM 1443 C ILE D 94 -2.540 5.624 -11.669 1.00 0.00 C ATOM 1444 O ILE D 94 -2.525 5.389 -12.890 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.248 3.519 -11.277 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.470 2.670 -10.969 1.00 0.00 C ATOM 1447 CG2 ILE D 94 -0.009 2.932 -10.623 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.321 1.216 -11.313 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.366 6.385 -11.126 1.00 0.00 O ATOM 0 H ILE D 94 -2.916 4.548 -9.306 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.590 5.527 -10.834 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.071 3.535 -12.352 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.699 2.757 -9.907 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.324 3.074 -11.514 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.152 1.919 -10.992 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.857 3.548 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.146 2.907 -9.542 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.239 0.686 -11.060 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.125 1.113 -12.380 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.490 0.792 -10.749 1.00 0.00 H new