USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=25 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 76 SER OG : rot 18:sc= 0.0503 USER MOD Set 1.2: D 80 ASN : amide:sc= -0.616 K(o=-0.57,f=-2.5!) USER MOD Set 2.1: D 71 THR OG1 : rot 154:sc= 0.118 USER MOD Set 2.2: D 74 ASN : amide:sc= 0.023 K(o=0.14,f=-1.8) USER MOD Set 3.1: D 21 ASN : amide:sc= -3.89! C(o=-3.9!,f=-6.3!) USER MOD Set 3.2: D 28 SER OG : rot 180:sc= 0.00495 USER MOD Single : D 14 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.65) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 17 ASN : amide:sc= -8.45! C(o=-8.4!,f=-8.7!) USER MOD Single : D 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0432) USER MOD Single : D 22 LYS NZ :NH3+ 164:sc= -0.0501 (180deg=-0.379) USER MOD Single : D 24 LYS NZ :NH3+ -147:sc= -0.0939 (180deg=-0.459) USER MOD Single : D 26 LYS NZ :NH3+ -128:sc= -2.56! (180deg=-5.11!) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 144:sc= -0.254 (180deg=-0.94) USER MOD Single : D 32 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.3) USER MOD Single : D 34 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.013) USER MOD Single : D 35 GLN : amide:sc= -1.84! K(o=-1.8!,f=0) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 140:sc= -3.97! USER MOD Single : D 40 SER OG : rot 38:sc= -3.15! USER MOD Single : D 41 SER OG : rot 180:sc= -0.117 USER MOD Single : D 42 ASN : amide:sc= -14.9! C(o=-15!,f=-13!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -160:sc= -0.394 (180deg=-1.29!) USER MOD Single : D 53 ASN : amide:sc= -2.67! K(o=-2.7!,f=-0.03) USER MOD Single : D 59 ASN : amide:sc= -1.65! C(o=-1.7!,f=-9!) USER MOD Single : D 62 LYS NZ :NH3+ -169:sc= -0.0491 (180deg=-0.244) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 67 ASN : amide:sc= -4.6! C(o=-4.6!,f=-5.3!) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -0.284 K(o=-0.28,f=0.86) USER MOD Single : D 81 LYS NZ :NH3+ 146:sc= -1.39 (180deg=-3.13!) USER MOD Single : D 83 ASN : amide:sc= -3.12 K(o=-3.1,f=-0.099) USER MOD Single : D 85 LYS NZ :NH3+ 155:sc= 0.397 (180deg=0.145) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 168:sc= 1.33 (180deg=1.08) USER MOD Single : D 93 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.754 4.589 3.584 1.00 0.00 N ATOM 185 CA ILE D 13 5.784 3.568 3.939 1.00 0.00 C ATOM 186 C ILE D 13 4.878 4.056 5.065 1.00 0.00 C ATOM 187 O ILE D 13 3.870 3.439 5.404 1.00 0.00 O ATOM 188 CB ILE D 13 6.542 2.298 4.347 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.486 1.924 3.219 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.601 1.143 4.667 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.346 0.717 3.518 1.00 0.00 C ATOM 0 HA ILE D 13 5.145 3.348 3.084 1.00 0.00 H new ATOM 0 HB ILE D 13 7.102 2.500 5.260 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.903 1.729 2.319 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.132 2.774 3.002 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.184 0.267 4.950 1.00 0.00 H new ATOM 0 HG22 ILE D 13 4.946 1.425 5.491 1.00 0.00 H new ATOM 0 HG23 ILE D 13 4.999 0.910 3.789 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.994 0.512 2.666 1.00 0.00 H new ATOM 0 HD12 ILE D 13 8.957 0.915 4.399 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.708 -0.147 3.705 1.00 0.00 H new ATOM 203 N ASN D 14 5.216 5.205 5.598 1.00 0.00 N ATOM 204 CA ASN D 14 4.388 5.822 6.633 1.00 0.00 C ATOM 205 C ASN D 14 3.306 6.713 6.022 1.00 0.00 C ATOM 206 O ASN D 14 2.116 6.524 6.277 1.00 0.00 O ATOM 207 CB ASN D 14 5.232 6.630 7.618 1.00 0.00 C ATOM 208 CG ASN D 14 6.212 5.773 8.391 1.00 0.00 C ATOM 209 OD1 ASN D 14 7.104 5.151 7.811 1.00 0.00 O ATOM 210 ND2 ASN D 14 6.051 5.729 9.705 1.00 0.00 N ATOM 0 H ASN D 14 6.049 5.736 5.343 1.00 0.00 H new ATOM 0 HA ASN D 14 3.905 5.011 7.178 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.780 7.400 7.074 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.573 7.143 8.319 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.679 5.164 10.277 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.299 6.260 10.145 1.00 0.00 H new ATOM 217 N SER D 15 3.721 7.699 5.229 1.00 0.00 N ATOM 218 CA SER D 15 2.785 8.631 4.613 1.00 0.00 C ATOM 219 C SER D 15 1.919 7.941 3.566 1.00 0.00 C ATOM 220 O SER D 15 0.848 8.439 3.228 1.00 0.00 O ATOM 221 CB SER D 15 3.510 9.818 3.979 1.00 0.00 C ATOM 222 OG SER D 15 4.361 9.403 2.923 1.00 0.00 O ATOM 0 H SER D 15 4.700 7.871 4.999 1.00 0.00 H new ATOM 0 HA SER D 15 2.141 9.002 5.411 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.779 10.532 3.599 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.096 10.335 4.738 1.00 0.00 H new ATOM 0 HG SER D 15 4.809 10.185 2.537 1.00 0.00 H new ATOM 228 N VAL D 16 2.346 6.761 3.099 1.00 0.00 N ATOM 229 CA VAL D 16 1.542 5.992 2.154 1.00 0.00 C ATOM 230 C VAL D 16 0.200 5.658 2.782 1.00 0.00 C ATOM 231 O VAL D 16 -0.820 5.536 2.109 1.00 0.00 O ATOM 232 CB VAL D 16 2.238 4.675 1.716 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.495 3.763 2.890 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.407 3.938 0.679 1.00 0.00 C ATOM 0 H VAL D 16 3.232 6.327 3.358 1.00 0.00 H new ATOM 0 HA VAL D 16 1.410 6.610 1.266 1.00 0.00 H new ATOM 0 HB VAL D 16 3.196 4.955 1.277 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.983 2.852 2.543 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.139 4.269 3.609 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.549 3.508 3.367 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.917 3.019 0.390 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.432 3.694 1.101 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.275 4.571 -0.198 1.00 0.00 H new ATOM 244 N ASN D 17 0.231 5.528 4.092 1.00 0.00 N ATOM 245 CA ASN D 17 -0.954 5.208 4.868 1.00 0.00 C ATOM 246 C ASN D 17 -1.809 6.437 5.046 1.00 0.00 C ATOM 247 O ASN D 17 -3.026 6.358 5.035 1.00 0.00 O ATOM 248 CB ASN D 17 -0.563 4.639 6.233 1.00 0.00 C ATOM 249 CG ASN D 17 0.212 3.340 6.129 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.648 2.787 7.137 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.364 2.826 4.915 1.00 0.00 N ATOM 0 H ASN D 17 1.077 5.641 4.651 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.527 4.455 4.327 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.038 5.373 6.769 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.464 4.473 6.824 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.857 1.941 4.794 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.012 3.315 4.103 1.00 0.00 H new ATOM 258 N ASP D 18 -1.161 7.583 5.155 1.00 0.00 N ATOM 259 CA ASP D 18 -1.849 8.854 5.278 1.00 0.00 C ATOM 260 C ASP D 18 -2.704 9.172 4.053 1.00 0.00 C ATOM 261 O ASP D 18 -3.560 10.056 4.101 1.00 0.00 O ATOM 262 CB ASP D 18 -0.826 9.967 5.476 1.00 0.00 C ATOM 263 CG ASP D 18 -0.139 9.919 6.821 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.551 8.922 7.109 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.291 10.882 7.592 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.144 7.658 5.161 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.514 8.784 6.138 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.074 9.903 4.690 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.323 10.931 5.364 1.00 0.00 H new ATOM 270 N LYS D 19 -2.466 8.463 2.960 1.00 0.00 N ATOM 271 CA LYS D 19 -3.206 8.687 1.728 1.00 0.00 C ATOM 272 C LYS D 19 -4.428 7.820 1.721 1.00 0.00 C ATOM 273 O LYS D 19 -5.493 8.180 1.233 1.00 0.00 O ATOM 274 CB LYS D 19 -2.349 8.306 0.576 1.00 0.00 C ATOM 275 CG LYS D 19 -1.040 9.004 0.682 1.00 0.00 C ATOM 276 CD LYS D 19 -0.054 8.401 -0.233 1.00 0.00 C ATOM 277 CE LYS D 19 1.326 8.777 0.231 1.00 0.00 C ATOM 278 NZ LYS D 19 1.581 10.235 0.104 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.764 7.725 2.901 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.493 9.736 1.657 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.198 7.227 0.562 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.840 8.571 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.165 10.061 0.445 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.674 8.948 1.707 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.166 7.317 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.219 8.752 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.452 8.477 1.271 1.00 0.00 H new ATOM 0 HE3 LYS D 19 2.066 8.228 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.582 10.431 0.305 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.355 10.544 -0.863 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 0.984 10.752 0.781 1.00 0.00 H new ATOM 292 N LEU D 20 -4.186 6.626 2.216 1.00 0.00 N ATOM 293 CA LEU D 20 -5.149 5.557 2.262 1.00 0.00 C ATOM 294 C LEU D 20 -6.135 5.790 3.394 1.00 0.00 C ATOM 295 O LEU D 20 -7.333 5.541 3.274 1.00 0.00 O ATOM 296 CB LEU D 20 -4.375 4.281 2.515 1.00 0.00 C ATOM 297 CG LEU D 20 -3.311 3.962 1.459 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.457 2.784 1.887 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.965 3.681 0.115 1.00 0.00 C ATOM 0 H LEU D 20 -3.281 6.368 2.610 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.711 5.501 1.330 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.892 4.352 3.489 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -5.078 3.449 2.567 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.663 4.832 1.358 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.710 2.578 1.120 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.957 3.019 2.827 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.089 1.906 2.022 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.196 3.456 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.638 2.829 0.209 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.530 4.556 -0.205 1.00 0.00 H new ATOM 311 N ASN D 21 -5.603 6.314 4.485 1.00 0.00 N ATOM 312 CA ASN D 21 -6.390 6.651 5.652 1.00 0.00 C ATOM 313 C ASN D 21 -7.178 7.926 5.388 1.00 0.00 C ATOM 314 O ASN D 21 -6.594 9.010 5.361 1.00 0.00 O ATOM 315 CB ASN D 21 -5.477 6.832 6.875 1.00 0.00 C ATOM 316 CG ASN D 21 -5.016 5.510 7.468 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.835 4.680 7.854 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.710 5.312 7.560 1.00 0.00 N ATOM 0 H ASN D 21 -4.608 6.517 4.584 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.087 5.839 5.859 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.605 7.420 6.588 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -6.008 7.401 7.638 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.353 4.446 7.963 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.061 6.026 7.228 1.00 0.00 H new ATOM 325 N LYS D 22 -8.444 7.795 4.973 1.00 0.00 N ATOM 326 CA LYS D 22 -9.144 8.981 4.471 1.00 0.00 C ATOM 327 C LYS D 22 -10.410 9.328 5.243 1.00 0.00 C ATOM 328 O LYS D 22 -10.695 10.501 5.465 1.00 0.00 O ATOM 329 CB LYS D 22 -9.505 8.801 3.001 1.00 0.00 C ATOM 330 CG LYS D 22 -8.336 8.359 2.144 1.00 0.00 C ATOM 331 CD LYS D 22 -8.658 8.464 0.666 1.00 0.00 C ATOM 332 CE LYS D 22 -8.902 9.909 0.255 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.734 10.779 0.562 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.981 6.928 4.973 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.446 9.807 4.607 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.305 8.065 2.918 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.896 9.742 2.613 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.464 8.973 2.372 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -8.074 7.330 2.388 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.835 8.051 0.082 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.541 7.865 0.440 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.115 9.951 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -9.783 10.289 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -7.819 11.673 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.708 10.978 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.857 10.295 0.282 1.00 0.00 H new ATOM 347 N GLY D 23 -11.219 8.333 5.562 1.00 0.00 N ATOM 348 CA GLY D 23 -12.479 8.613 6.192 1.00 0.00 C ATOM 349 C GLY D 23 -13.465 7.483 6.038 1.00 0.00 C ATOM 350 O GLY D 23 -13.733 6.772 7.004 1.00 0.00 O ATOM 0 H GLY D 23 -11.024 7.346 5.396 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.316 8.807 7.252 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.902 9.521 5.763 1.00 0.00 H new ATOM 354 N LYS D 24 -13.955 7.276 4.808 1.00 0.00 N ATOM 355 CA LYS D 24 -14.862 6.163 4.522 1.00 0.00 C ATOM 356 C LYS D 24 -14.192 4.877 4.960 1.00 0.00 C ATOM 357 O LYS D 24 -14.554 4.294 5.978 1.00 0.00 O ATOM 358 CB LYS D 24 -15.196 6.084 3.022 1.00 0.00 C ATOM 359 CG LYS D 24 -16.263 5.059 2.670 1.00 0.00 C ATOM 360 CD LYS D 24 -17.643 5.535 3.081 1.00 0.00 C ATOM 361 CE LYS D 24 -18.718 4.546 2.667 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.620 4.176 1.229 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.739 7.862 4.002 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.795 6.318 5.064 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.527 7.066 2.683 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.286 5.847 2.471 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.247 4.868 1.597 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.040 4.114 3.165 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.674 5.676 4.161 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.845 6.505 2.627 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.636 3.647 3.278 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.700 4.977 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.572 4.000 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.175 4.953 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.044 3.316 1.130 1.00 0.00 H new ATOM 376 N GLY D 25 -13.121 4.536 4.259 1.00 0.00 N ATOM 377 CA GLY D 25 -12.285 3.431 4.640 1.00 0.00 C ATOM 378 C GLY D 25 -10.840 3.756 4.455 1.00 0.00 C ATOM 379 O GLY D 25 -10.499 4.762 3.832 1.00 0.00 O ATOM 0 H GLY D 25 -12.816 5.021 3.415 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.472 3.173 5.683 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.542 2.555 4.044 1.00 0.00 H new ATOM 383 N LYS D 26 -10.011 3.056 5.189 1.00 0.00 N ATOM 384 CA LYS D 26 -8.619 3.438 5.288 1.00 0.00 C ATOM 385 C LYS D 26 -7.683 2.243 5.283 1.00 0.00 C ATOM 386 O LYS D 26 -8.105 1.110 5.521 1.00 0.00 O ATOM 387 CB LYS D 26 -8.476 4.226 6.550 1.00 0.00 C ATOM 388 CG LYS D 26 -9.275 3.597 7.640 1.00 0.00 C ATOM 389 CD LYS D 26 -9.457 4.509 8.844 1.00 0.00 C ATOM 390 CE LYS D 26 -10.242 5.769 8.498 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.412 6.799 7.822 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.269 2.226 5.723 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.337 4.029 4.417 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.426 4.276 6.840 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.811 5.251 6.388 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.254 3.318 7.251 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.785 2.677 7.958 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.975 3.966 9.634 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.480 4.788 9.237 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -11.080 5.504 7.853 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.664 6.191 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.514 7.707 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.414 6.506 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.726 6.906 6.836 1.00 0.00 H new ATOM 405 N LEU D 27 -6.422 2.499 4.961 1.00 0.00 N ATOM 406 CA LEU D 27 -5.428 1.445 4.859 1.00 0.00 C ATOM 407 C LEU D 27 -4.082 1.857 5.446 1.00 0.00 C ATOM 408 O LEU D 27 -3.658 3.006 5.335 1.00 0.00 O ATOM 409 CB LEU D 27 -5.278 1.040 3.408 1.00 0.00 C ATOM 410 CG LEU D 27 -4.125 0.082 3.101 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.279 -1.224 3.870 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.045 -0.196 1.609 1.00 0.00 C ATOM 0 H LEU D 27 -6.064 3.434 4.765 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.775 0.595 5.446 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.208 0.575 3.082 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.145 1.942 2.810 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.199 0.560 3.420 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.446 -1.886 3.633 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.285 -1.017 4.940 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.216 -1.704 3.588 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.219 -0.879 1.410 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.978 -0.647 1.272 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.880 0.739 1.073 1.00 0.00 H new ATOM 424 N SER D 28 -3.423 0.887 6.054 1.00 0.00 N ATOM 425 CA SER D 28 -2.122 1.066 6.666 1.00 0.00 C ATOM 426 C SER D 28 -1.220 -0.095 6.288 1.00 0.00 C ATOM 427 O SER D 28 -1.699 -1.205 6.066 1.00 0.00 O ATOM 428 CB SER D 28 -2.271 1.115 8.182 1.00 0.00 C ATOM 429 OG SER D 28 -3.122 2.180 8.584 1.00 0.00 O ATOM 0 H SER D 28 -3.785 -0.063 6.137 1.00 0.00 H new ATOM 0 HA SER D 28 -1.684 2.000 6.313 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.676 0.168 8.540 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.290 1.237 8.642 1.00 0.00 H new ATOM 0 HG SER D 28 -3.200 2.186 9.561 1.00 0.00 H new ATOM 435 N LEU D 29 0.079 0.144 6.249 1.00 0.00 N ATOM 436 CA LEU D 29 1.031 -0.906 5.940 1.00 0.00 C ATOM 437 C LEU D 29 2.261 -0.745 6.814 1.00 0.00 C ATOM 438 O LEU D 29 2.772 0.363 6.968 1.00 0.00 O ATOM 439 CB LEU D 29 1.455 -0.848 4.478 1.00 0.00 C ATOM 440 CG LEU D 29 0.311 -0.748 3.472 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.834 -0.328 2.109 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.409 -2.074 3.348 1.00 0.00 C ATOM 0 H LEU D 29 0.498 1.057 6.428 1.00 0.00 H new ATOM 0 HA LEU D 29 0.552 -1.867 6.129 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.114 0.010 4.341 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.040 -1.739 4.251 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.389 0.005 3.835 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.004 -0.262 1.405 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.320 0.645 2.189 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.554 -1.065 1.753 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.221 -1.981 2.626 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.291 -2.838 3.010 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.817 -2.359 4.318 1.00 0.00 H new ATOM 454 N SER D 30 2.771 -1.845 7.328 1.00 0.00 N ATOM 455 CA SER D 30 3.988 -1.822 8.122 1.00 0.00 C ATOM 456 C SER D 30 4.752 -3.120 7.921 1.00 0.00 C ATOM 457 O SER D 30 4.314 -3.992 7.170 1.00 0.00 O ATOM 458 CB SER D 30 3.660 -1.612 9.605 1.00 0.00 C ATOM 459 OG SER D 30 2.986 -0.377 9.808 1.00 0.00 O ATOM 0 H SER D 30 2.361 -2.772 7.211 1.00 0.00 H new ATOM 0 HA SER D 30 4.611 -0.990 7.794 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.039 -2.433 9.963 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.579 -1.629 10.190 1.00 0.00 H new ATOM 0 HG SER D 30 2.786 -0.266 10.761 1.00 0.00 H new ATOM 465 N MET D 31 5.877 -3.256 8.597 1.00 0.00 N ATOM 466 CA MET D 31 6.679 -4.463 8.499 1.00 0.00 C ATOM 467 C MET D 31 7.179 -4.896 9.861 1.00 0.00 C ATOM 468 O MET D 31 7.855 -4.150 10.568 1.00 0.00 O ATOM 469 CB MET D 31 7.844 -4.274 7.522 1.00 0.00 C ATOM 470 CG MET D 31 8.743 -3.092 7.845 1.00 0.00 C ATOM 471 SD MET D 31 10.083 -2.900 6.652 1.00 0.00 S ATOM 472 CE MET D 31 9.158 -2.678 5.133 1.00 0.00 C ATOM 0 H MET D 31 6.258 -2.545 9.221 1.00 0.00 H new ATOM 0 HA MET D 31 6.041 -5.255 8.109 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.446 -5.182 7.513 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.443 -4.147 6.516 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.146 -2.180 7.866 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.164 -3.221 8.842 1.00 0.00 H new ATOM 0 HE1 MET D 31 9.677 -1.966 4.492 1.00 0.00 H new ATOM 0 HE2 MET D 31 9.071 -3.634 4.617 1.00 0.00 H new ATOM 0 HE3 MET D 31 8.163 -2.299 5.365 1.00 0.00 H new ATOM 482 N ASN D 32 6.904 -6.143 10.178 1.00 0.00 N ATOM 483 CA ASN D 32 7.386 -6.745 11.404 1.00 0.00 C ATOM 484 C ASN D 32 8.726 -7.393 11.104 1.00 0.00 C ATOM 485 O ASN D 32 8.781 -8.472 10.517 1.00 0.00 O ATOM 486 CB ASN D 32 6.373 -7.784 11.905 1.00 0.00 C ATOM 487 CG ASN D 32 6.755 -8.366 13.253 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.797 -9.004 13.401 1.00 0.00 O ATOM 489 ND2 ASN D 32 5.913 -8.141 14.249 1.00 0.00 N ATOM 0 H ASN D 32 6.343 -6.766 9.597 1.00 0.00 H new ATOM 0 HA ASN D 32 7.506 -5.995 12.186 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.389 -7.321 11.979 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.292 -8.589 11.175 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.118 -8.501 15.181 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.060 -7.607 14.085 1.00 0.00 H new ATOM 496 N GLY D 33 9.779 -6.602 11.242 1.00 0.00 N ATOM 497 CA GLY D 33 11.059 -7.000 10.690 1.00 0.00 C ATOM 498 C GLY D 33 11.103 -6.700 9.205 1.00 0.00 C ATOM 499 O GLY D 33 11.168 -5.538 8.807 1.00 0.00 O ATOM 0 H GLY D 33 9.773 -5.701 11.721 1.00 0.00 H new ATOM 0 HA2 GLY D 33 11.864 -6.470 11.200 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.221 -8.065 10.859 1.00 0.00 H new ATOM 503 N ASN D 34 10.903 -7.724 8.387 1.00 0.00 N ATOM 504 CA ASN D 34 10.747 -7.539 6.943 1.00 0.00 C ATOM 505 C ASN D 34 9.389 -8.062 6.495 1.00 0.00 C ATOM 506 O ASN D 34 9.161 -8.298 5.311 1.00 0.00 O ATOM 507 CB ASN D 34 11.851 -8.263 6.161 1.00 0.00 C ATOM 508 CG ASN D 34 13.236 -7.670 6.355 1.00 0.00 C ATOM 509 OD1 ASN D 34 14.213 -8.182 5.813 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.336 -6.583 7.105 1.00 0.00 N ATOM 0 H ASN D 34 10.844 -8.695 8.695 1.00 0.00 H new ATOM 0 HA ASN D 34 10.822 -6.471 6.736 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.870 -9.310 6.464 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.604 -8.242 5.100 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.245 -6.144 7.248 1.00 0.00 H new ATOM 0 HD22 ASN D 34 12.504 -6.185 7.540 1.00 0.00 H new ATOM 517 N GLN D 35 8.528 -8.328 7.468 1.00 0.00 N ATOM 518 CA GLN D 35 7.226 -8.932 7.212 1.00 0.00 C ATOM 519 C GLN D 35 6.173 -7.881 6.932 1.00 0.00 C ATOM 520 O GLN D 35 5.993 -6.961 7.709 1.00 0.00 O ATOM 521 CB GLN D 35 6.809 -9.739 8.421 1.00 0.00 C ATOM 522 CG GLN D 35 7.791 -10.856 8.750 1.00 0.00 C ATOM 523 CD GLN D 35 7.403 -11.666 9.973 1.00 0.00 C ATOM 524 OE1 GLN D 35 8.096 -12.611 10.346 1.00 0.00 O ATOM 525 NE2 GLN D 35 6.302 -11.299 10.608 1.00 0.00 N ATOM 0 H GLN D 35 8.710 -8.133 8.452 1.00 0.00 H new ATOM 0 HA GLN D 35 7.313 -9.571 6.333 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.718 -9.076 9.281 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.823 -10.168 8.244 1.00 0.00 H new ATOM 0 HG2 GLN D 35 7.869 -11.524 7.892 1.00 0.00 H new ATOM 0 HG3 GLN D 35 8.779 -10.424 8.909 1.00 0.00 H new ATOM 0 HE21 GLN D 35 5.755 -10.509 10.266 1.00 0.00 H new ATOM 0 HE22 GLN D 35 6.000 -11.806 11.440 1.00 0.00 H new ATOM 534 N LEU D 36 5.497 -8.016 5.815 1.00 0.00 N ATOM 535 CA LEU D 36 4.486 -7.046 5.415 1.00 0.00 C ATOM 536 C LEU D 36 3.193 -7.250 6.174 1.00 0.00 C ATOM 537 O LEU D 36 2.671 -8.364 6.259 1.00 0.00 O ATOM 538 CB LEU D 36 4.301 -7.151 3.909 1.00 0.00 C ATOM 539 CG LEU D 36 3.265 -6.234 3.222 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.835 -6.627 3.559 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.506 -4.775 3.577 1.00 0.00 C ATOM 0 H LEU D 36 5.624 -8.788 5.161 1.00 0.00 H new ATOM 0 HA LEU D 36 4.814 -6.037 5.663 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.269 -6.963 3.444 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.032 -8.182 3.680 1.00 0.00 H new ATOM 0 HG LEU D 36 3.398 -6.362 2.148 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.144 -5.953 3.053 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.652 -7.650 3.230 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.683 -6.560 4.636 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.763 -4.152 3.080 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.425 -4.645 4.656 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.503 -4.481 3.250 1.00 0.00 H new ATOM 553 N LYS D 37 2.758 -6.179 6.825 1.00 0.00 N ATOM 554 CA LYS D 37 1.612 -6.226 7.712 1.00 0.00 C ATOM 555 C LYS D 37 0.694 -5.030 7.475 1.00 0.00 C ATOM 556 O LYS D 37 1.002 -3.906 7.871 1.00 0.00 O ATOM 557 CB LYS D 37 2.116 -6.227 9.156 1.00 0.00 C ATOM 558 CG LYS D 37 3.138 -7.323 9.426 1.00 0.00 C ATOM 559 CD LYS D 37 2.515 -8.702 9.310 1.00 0.00 C ATOM 560 CE LYS D 37 3.517 -9.799 9.597 1.00 0.00 C ATOM 561 NZ LYS D 37 2.940 -11.150 9.370 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.191 -5.258 6.751 1.00 0.00 H new ATOM 0 HA LYS D 37 1.037 -7.131 7.515 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.562 -5.258 9.381 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.269 -6.352 9.831 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.964 -7.235 8.720 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.557 -7.194 10.424 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.679 -8.783 10.005 1.00 0.00 H new ATOM 0 HD3 LYS D 37 2.109 -8.834 8.307 1.00 0.00 H new ATOM 0 HE2 LYS D 37 4.392 -9.667 8.961 1.00 0.00 H new ATOM 0 HE3 LYS D 37 3.858 -9.719 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 3.658 -11.873 9.578 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 2.120 -11.287 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.638 -11.236 8.379 1.00 0.00 H new ATOM 575 N ALA D 38 -0.410 -5.275 6.794 1.00 0.00 N ATOM 576 CA ALA D 38 -1.364 -4.231 6.454 1.00 0.00 C ATOM 577 C ALA D 38 -2.504 -4.172 7.450 1.00 0.00 C ATOM 578 O ALA D 38 -2.900 -5.183 8.030 1.00 0.00 O ATOM 579 CB ALA D 38 -1.919 -4.467 5.060 1.00 0.00 C ATOM 0 H ALA D 38 -0.672 -6.202 6.460 1.00 0.00 H new ATOM 0 HA ALA D 38 -0.836 -3.278 6.484 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.632 -3.680 4.814 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.103 -4.456 4.337 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.420 -5.434 5.027 1.00 0.00 H new ATOM 585 N THR D 39 -3.073 -2.988 7.578 1.00 0.00 N ATOM 586 CA THR D 39 -4.227 -2.769 8.421 1.00 0.00 C ATOM 587 C THR D 39 -5.209 -1.801 7.768 1.00 0.00 C ATOM 588 O THR D 39 -4.896 -0.646 7.521 1.00 0.00 O ATOM 589 CB THR D 39 -3.795 -2.260 9.797 1.00 0.00 C ATOM 590 OG1 THR D 39 -2.781 -1.279 9.687 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.301 -3.346 10.727 1.00 0.00 C ATOM 0 H THR D 39 -2.745 -2.150 7.098 1.00 0.00 H new ATOM 0 HA THR D 39 -4.738 -3.723 8.551 1.00 0.00 H new ATOM 0 HB THR D 39 -4.701 -1.834 10.229 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.945 -0.565 10.338 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.014 -2.905 11.681 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.095 -4.075 10.889 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.438 -3.841 10.282 1.00 0.00 H new ATOM 599 N SER D 40 -6.434 -2.247 7.635 1.00 0.00 N ATOM 600 CA SER D 40 -7.527 -1.407 7.176 1.00 0.00 C ATOM 601 C SER D 40 -8.416 -1.127 8.349 1.00 0.00 C ATOM 602 O SER D 40 -8.849 -2.045 9.050 1.00 0.00 O ATOM 603 CB SER D 40 -8.312 -2.108 6.084 1.00 0.00 C ATOM 604 OG SER D 40 -8.671 -3.430 6.465 1.00 0.00 O ATOM 0 H SER D 40 -6.708 -3.207 7.842 1.00 0.00 H new ATOM 0 HA SER D 40 -7.136 -0.477 6.763 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.212 -1.537 5.858 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.717 -2.140 5.171 1.00 0.00 H new ATOM 0 HG SER D 40 -8.900 -3.445 7.418 1.00 0.00 H new ATOM 610 N SER D 41 -8.707 0.122 8.564 1.00 0.00 N ATOM 611 CA SER D 41 -9.578 0.468 9.659 1.00 0.00 C ATOM 612 C SER D 41 -10.984 0.620 9.120 1.00 0.00 C ATOM 613 O SER D 41 -11.168 0.547 7.903 1.00 0.00 O ATOM 614 CB SER D 41 -9.097 1.730 10.383 1.00 0.00 C ATOM 615 OG SER D 41 -9.973 2.094 11.440 1.00 0.00 O ATOM 0 H SER D 41 -8.365 0.908 8.011 1.00 0.00 H new ATOM 0 HA SER D 41 -9.565 -0.326 10.406 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.096 1.562 10.781 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.024 2.552 9.671 1.00 0.00 H new ATOM 0 HG SER D 41 -9.636 2.901 11.881 1.00 0.00 H new ATOM 621 N ASN D 42 -11.955 0.710 10.040 1.00 0.00 N ATOM 622 CA ASN D 42 -13.402 0.745 9.746 1.00 0.00 C ATOM 623 C ASN D 42 -13.885 -0.519 9.027 1.00 0.00 C ATOM 624 O ASN D 42 -15.083 -0.675 8.779 1.00 0.00 O ATOM 625 CB ASN D 42 -13.828 2.030 9.010 1.00 0.00 C ATOM 626 CG ASN D 42 -13.239 2.202 7.645 1.00 0.00 C ATOM 627 OD1 ASN D 42 -13.481 1.419 6.726 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.429 3.240 7.522 1.00 0.00 N ATOM 0 H ASN D 42 -11.754 0.762 11.039 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.904 0.764 10.713 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.915 2.038 8.924 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -13.550 2.889 9.620 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -11.968 3.424 6.631 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.265 3.856 8.318 1.00 0.00 H new ATOM 635 N ALA D 43 -12.977 -1.492 8.926 1.00 0.00 N ATOM 636 CA ALA D 43 -13.286 -2.863 8.504 1.00 0.00 C ATOM 637 C ALA D 43 -14.273 -2.975 7.334 1.00 0.00 C ATOM 638 O ALA D 43 -15.233 -3.743 7.420 1.00 0.00 O ATOM 639 CB ALA D 43 -13.808 -3.657 9.694 1.00 0.00 C ATOM 0 H ALA D 43 -11.990 -1.349 9.138 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.347 -3.275 8.133 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.037 -4.675 9.380 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.049 -3.681 10.476 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.711 -3.184 10.079 1.00 0.00 H new ATOM 645 N GLY D 44 -13.931 -2.411 6.179 1.00 0.00 N ATOM 646 CA GLY D 44 -14.708 -2.716 4.994 1.00 0.00 C ATOM 647 C GLY D 44 -15.346 -1.521 4.326 1.00 0.00 C ATOM 648 O GLY D 44 -16.376 -1.661 3.668 1.00 0.00 O ATOM 0 H GLY D 44 -13.152 -1.766 6.044 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -14.062 -3.215 4.272 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.491 -3.424 5.263 1.00 0.00 H new ATOM 652 N TYR D 45 -14.662 -0.393 4.334 1.00 0.00 N ATOM 653 CA TYR D 45 -15.096 0.747 3.546 1.00 0.00 C ATOM 654 C TYR D 45 -13.964 1.144 2.606 1.00 0.00 C ATOM 655 O TYR D 45 -12.796 0.888 2.899 1.00 0.00 O ATOM 656 CB TYR D 45 -15.485 1.943 4.426 1.00 0.00 C ATOM 657 CG TYR D 45 -16.680 1.729 5.358 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.713 2.668 5.449 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.771 0.598 6.160 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.781 2.475 6.303 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.838 0.403 7.012 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.840 1.343 7.079 1.00 0.00 C ATOM 663 OH TYR D 45 -19.904 1.149 7.929 1.00 0.00 O ATOM 0 H TYR D 45 -13.809 -0.241 4.873 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.984 0.460 2.983 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.622 2.219 5.032 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.703 2.791 3.777 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.675 3.560 4.841 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -15.989 -0.145 6.115 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.568 3.212 6.361 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.887 -0.485 7.625 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.792 0.299 8.404 1.00 0.00 H new ATOM 673 N GLY D 46 -14.301 1.770 1.490 1.00 0.00 N ATOM 674 CA GLY D 46 -13.284 2.199 0.542 1.00 0.00 C ATOM 675 C GLY D 46 -12.974 3.665 0.694 1.00 0.00 C ATOM 676 O GLY D 46 -13.371 4.270 1.671 1.00 0.00 O ATOM 0 H GLY D 46 -15.259 1.991 1.220 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.375 1.616 0.692 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.625 2.001 -0.474 1.00 0.00 H new ATOM 680 N ILE D 47 -12.329 4.256 -0.300 1.00 0.00 N ATOM 681 CA ILE D 47 -12.055 5.696 -0.277 1.00 0.00 C ATOM 682 C ILE D 47 -13.342 6.454 -0.085 1.00 0.00 C ATOM 683 O ILE D 47 -13.477 7.302 0.800 1.00 0.00 O ATOM 684 CB ILE D 47 -11.521 6.178 -1.617 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.347 5.355 -2.055 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.144 7.651 -1.564 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.169 5.360 -1.108 1.00 0.00 C ATOM 0 H ILE D 47 -11.985 3.771 -1.129 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.336 5.865 0.524 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.319 6.058 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.677 4.325 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.013 5.716 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -10.766 7.965 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.023 8.243 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.373 7.802 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.373 4.736 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -8.805 6.380 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.479 4.967 -0.140 1.00 0.00 H new ATOM 699 N SER D 48 -14.216 6.213 -1.049 1.00 0.00 N ATOM 700 CA SER D 48 -15.465 6.926 -1.189 1.00 0.00 C ATOM 701 C SER D 48 -16.147 6.472 -2.469 1.00 0.00 C ATOM 702 O SER D 48 -15.702 5.511 -3.101 1.00 0.00 O ATOM 703 CB SER D 48 -15.187 8.422 -1.248 1.00 0.00 C ATOM 704 OG SER D 48 -14.367 8.741 -2.365 1.00 0.00 O ATOM 0 H SER D 48 -14.070 5.503 -1.766 1.00 0.00 H new ATOM 0 HA SER D 48 -16.114 6.720 -0.338 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.128 8.969 -1.314 1.00 0.00 H new ATOM 0 HB3 SER D 48 -14.697 8.742 -0.328 1.00 0.00 H new ATOM 0 HG SER D 48 -14.202 9.707 -2.385 1.00 0.00 H new ATOM 710 N TYR D 49 -17.134 7.231 -2.920 1.00 0.00 N ATOM 711 CA TYR D 49 -17.761 6.965 -4.206 1.00 0.00 C ATOM 712 C TYR D 49 -16.906 7.467 -5.362 1.00 0.00 C ATOM 713 O TYR D 49 -17.195 8.483 -5.991 1.00 0.00 O ATOM 714 CB TYR D 49 -19.173 7.542 -4.253 1.00 0.00 C ATOM 715 CG TYR D 49 -19.330 8.890 -3.550 1.00 0.00 C ATOM 716 CD1 TYR D 49 -18.523 9.980 -3.875 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.275 9.067 -2.535 1.00 0.00 C ATOM 718 CE1 TYR D 49 -18.658 11.189 -3.222 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.410 10.272 -1.886 1.00 0.00 C ATOM 720 CZ TYR D 49 -19.602 11.328 -2.230 1.00 0.00 C ATOM 721 OH TYR D 49 -19.739 12.529 -1.572 1.00 0.00 O ATOM 0 H TYR D 49 -17.517 8.032 -2.418 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.842 5.884 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.472 7.653 -5.295 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.859 6.827 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.779 9.877 -4.651 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -20.912 8.241 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -18.025 12.023 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.150 10.388 -1.108 1.00 0.00 H new ATOM 0 HH TYR D 49 -20.451 12.456 -0.903 1.00 0.00 H new ATOM 731 N GLU D 50 -15.885 6.688 -5.662 1.00 0.00 N ATOM 732 CA GLU D 50 -14.982 6.950 -6.769 1.00 0.00 C ATOM 733 C GLU D 50 -14.525 5.643 -7.384 1.00 0.00 C ATOM 734 O GLU D 50 -14.931 4.575 -6.936 1.00 0.00 O ATOM 735 CB GLU D 50 -13.759 7.739 -6.292 1.00 0.00 C ATOM 736 CG GLU D 50 -13.996 9.226 -6.171 1.00 0.00 C ATOM 737 CD GLU D 50 -14.324 9.884 -7.494 1.00 0.00 C ATOM 738 OE1 GLU D 50 -14.609 11.095 -7.499 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.257 9.201 -8.536 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.655 5.844 -5.138 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.516 7.539 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.445 7.352 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.936 7.568 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.814 9.402 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.108 9.696 -5.748 1.00 0.00 H new ATOM 746 N ASP D 51 -13.517 5.709 -8.232 1.00 0.00 N ATOM 747 CA ASP D 51 -12.861 4.489 -8.669 1.00 0.00 C ATOM 748 C ASP D 51 -11.353 4.668 -8.661 1.00 0.00 C ATOM 749 O ASP D 51 -10.850 5.764 -8.898 1.00 0.00 O ATOM 750 CB ASP D 51 -13.381 4.022 -10.021 1.00 0.00 C ATOM 751 CG ASP D 51 -12.982 4.925 -11.166 1.00 0.00 C ATOM 752 OD1 ASP D 51 -13.331 6.122 -11.132 1.00 0.00 O ATOM 753 OD2 ASP D 51 -12.332 4.434 -12.106 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.140 6.571 -8.625 1.00 0.00 H new ATOM 0 HA ASP D 51 -13.104 3.697 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.010 3.016 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.468 3.959 -9.981 1.00 0.00 H new ATOM 758 N LYS D 52 -10.671 3.660 -8.131 1.00 0.00 N ATOM 759 CA LYS D 52 -9.264 3.779 -7.792 1.00 0.00 C ATOM 760 C LYS D 52 -8.528 2.509 -8.157 1.00 0.00 C ATOM 761 O LYS D 52 -8.880 1.439 -7.676 1.00 0.00 O ATOM 762 CB LYS D 52 -9.074 4.019 -6.285 1.00 0.00 C ATOM 763 CG LYS D 52 -9.583 5.352 -5.720 1.00 0.00 C ATOM 764 CD LYS D 52 -11.106 5.505 -5.718 1.00 0.00 C ATOM 765 CE LYS D 52 -11.797 4.433 -4.885 1.00 0.00 C ATOM 766 NZ LYS D 52 -13.268 4.641 -4.764 1.00 0.00 N1+ ATOM 0 H LYS D 52 -11.076 2.746 -7.927 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.867 4.626 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -9.572 3.212 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -8.010 3.941 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -9.219 5.461 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -9.150 6.166 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -11.369 6.489 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -11.474 5.458 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.610 3.457 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.356 4.416 -3.888 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -13.627 4.113 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -13.466 5.654 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -13.739 4.302 -5.627 1.00 0.00 H new ATOM 780 N ASN D 53 -7.444 2.638 -8.898 1.00 0.00 N ATOM 781 CA ASN D 53 -6.585 1.497 -9.184 1.00 0.00 C ATOM 782 C ASN D 53 -5.213 1.717 -8.588 1.00 0.00 C ATOM 783 O ASN D 53 -4.724 2.848 -8.542 1.00 0.00 O ATOM 784 CB ASN D 53 -6.479 1.219 -10.684 1.00 0.00 C ATOM 785 CG ASN D 53 -7.755 0.641 -11.273 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.793 0.294 -12.453 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.816 0.554 -10.476 1.00 0.00 N ATOM 0 H ASN D 53 -7.135 3.517 -9.313 1.00 0.00 H new ATOM 0 HA ASN D 53 -7.040 0.619 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -6.233 2.145 -11.203 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.657 0.526 -10.862 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.697 0.190 -10.838 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.748 0.851 -9.503 1.00 0.00 H new ATOM 794 N TRP D 54 -4.657 0.666 -8.012 1.00 0.00 N ATOM 795 CA TRP D 54 -3.413 0.784 -7.276 1.00 0.00 C ATOM 796 C TRP D 54 -2.353 -0.180 -7.764 1.00 0.00 C ATOM 797 O TRP D 54 -2.665 -1.223 -8.335 1.00 0.00 O ATOM 798 CB TRP D 54 -3.648 0.520 -5.805 1.00 0.00 C ATOM 799 CG TRP D 54 -3.385 1.706 -4.967 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.092 2.869 -4.890 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.271 1.849 -4.122 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.472 3.724 -4.009 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.344 3.112 -3.529 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.217 1.007 -3.807 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.382 3.551 -2.635 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.276 1.441 -2.924 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.359 2.704 -2.347 1.00 0.00 C ATOM 0 H TRP D 54 -5.047 -0.276 -8.040 1.00 0.00 H new ATOM 0 HA TRP D 54 -3.057 1.801 -7.438 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.678 0.197 -5.658 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.007 -0.300 -5.480 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -4.998 3.085 -5.436 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.797 4.657 -3.756 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.143 0.026 -4.253 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.442 4.530 -2.183 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.549 0.793 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.407 3.019 -1.654 1.00 0.00 H new ATOM 818 N GLY D 55 -1.098 0.128 -7.440 1.00 0.00 N ATOM 819 CA GLY D 55 -0.024 -0.775 -7.773 1.00 0.00 C ATOM 820 C GLY D 55 1.034 -0.894 -6.696 1.00 0.00 C ATOM 821 O GLY D 55 1.264 0.013 -5.896 1.00 0.00 O ATOM 0 H GLY D 55 -0.814 0.981 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.441 -1.763 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.448 -0.438 -8.696 1.00 0.00 H new ATOM 825 N ILE D 56 1.705 -2.020 -6.754 1.00 0.00 N ATOM 826 CA ILE D 56 2.825 -2.381 -5.887 1.00 0.00 C ATOM 827 C ILE D 56 3.844 -3.085 -6.770 1.00 0.00 C ATOM 828 O ILE D 56 3.523 -4.114 -7.359 1.00 0.00 O ATOM 829 CB ILE D 56 2.372 -3.365 -4.781 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.203 -2.794 -3.974 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.532 -3.689 -3.858 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.656 -3.762 -2.946 1.00 0.00 C ATOM 0 H ILE D 56 1.483 -2.748 -7.433 1.00 0.00 H new ATOM 0 HA ILE D 56 3.232 -1.491 -5.407 1.00 0.00 H new ATOM 0 HB ILE D 56 2.034 -4.281 -5.266 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.529 -1.884 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.403 -2.510 -4.658 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.199 -4.382 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.338 -4.146 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.893 -2.772 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.170 -3.295 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.300 -4.662 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.443 -4.027 -2.240 1.00 0.00 H new ATOM 844 N PHE D 57 4.963 -2.443 -7.048 1.00 0.00 N ATOM 845 CA PHE D 57 5.847 -2.962 -8.085 1.00 0.00 C ATOM 846 C PHE D 57 7.109 -3.555 -7.497 1.00 0.00 C ATOM 847 O PHE D 57 8.073 -2.835 -7.262 1.00 0.00 O ATOM 848 CB PHE D 57 6.238 -1.883 -9.110 1.00 0.00 C ATOM 849 CG PHE D 57 5.078 -1.103 -9.674 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.671 -1.287 -10.985 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.410 -0.168 -8.901 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.614 -0.559 -11.504 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.362 0.556 -9.411 1.00 0.00 C ATOM 854 CZ PHE D 57 2.960 0.363 -10.709 1.00 0.00 C ATOM 0 H PHE D 57 5.278 -1.588 -6.590 1.00 0.00 H new ATOM 0 HA PHE D 57 5.282 -3.743 -8.594 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.932 -1.187 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.773 -2.358 -9.932 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.183 -2.005 -11.608 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.719 -0.006 -7.879 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.302 -0.711 -12.527 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.853 1.279 -8.790 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.133 0.931 -11.109 1.00 0.00 H new ATOM 864 N VAL D 58 7.158 -4.879 -7.442 1.00 0.00 N ATOM 865 CA VAL D 58 8.382 -5.584 -7.093 1.00 0.00 C ATOM 866 C VAL D 58 9.162 -5.921 -8.357 1.00 0.00 C ATOM 867 O VAL D 58 8.716 -6.727 -9.179 1.00 0.00 O ATOM 868 CB VAL D 58 8.107 -6.869 -6.278 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.379 -7.676 -6.083 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.525 -6.512 -4.925 1.00 0.00 C ATOM 0 H VAL D 58 6.362 -5.487 -7.635 1.00 0.00 H new ATOM 0 HA VAL D 58 8.973 -4.922 -6.460 1.00 0.00 H new ATOM 0 HB VAL D 58 7.393 -7.474 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.156 -8.574 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.782 -7.960 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.113 -7.074 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.335 -7.424 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.231 -5.886 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.590 -5.969 -5.063 1.00 0.00 H new ATOM 880 N ASN D 59 10.295 -5.245 -8.530 1.00 0.00 N ATOM 881 CA ASN D 59 11.133 -5.395 -9.720 1.00 0.00 C ATOM 882 C ASN D 59 10.403 -4.938 -10.976 1.00 0.00 C ATOM 883 O ASN D 59 10.555 -5.534 -12.042 1.00 0.00 O ATOM 884 CB ASN D 59 11.625 -6.838 -9.884 1.00 0.00 C ATOM 885 CG ASN D 59 12.567 -7.259 -8.773 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.214 -7.229 -7.598 1.00 0.00 O ATOM 887 ND2 ASN D 59 13.773 -7.663 -9.141 1.00 0.00 N ATOM 0 H ASN D 59 10.659 -4.578 -7.850 1.00 0.00 H new ATOM 0 HA ASN D 59 12.003 -4.754 -9.579 1.00 0.00 H new ATOM 0 HB2 ASN D 59 10.768 -7.511 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.132 -6.939 -10.844 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.447 -7.964 -8.437 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.028 -7.673 -10.129 1.00 0.00 H new ATOM 894 N GLY D 60 9.735 -3.793 -10.877 1.00 0.00 N ATOM 895 CA GLY D 60 9.146 -3.173 -12.049 1.00 0.00 C ATOM 896 C GLY D 60 7.710 -3.561 -12.308 1.00 0.00 C ATOM 897 O GLY D 60 6.944 -2.780 -12.873 1.00 0.00 O ATOM 0 H GLY D 60 9.591 -3.283 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.202 -2.090 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY D 60 9.743 -3.436 -12.922 1.00 0.00 H new ATOM 901 N GLU D 61 7.366 -4.788 -11.987 1.00 0.00 N ATOM 902 CA GLU D 61 6.035 -5.296 -12.288 1.00 0.00 C ATOM 903 C GLU D 61 5.105 -5.134 -11.095 1.00 0.00 C ATOM 904 O GLU D 61 5.543 -5.196 -9.946 1.00 0.00 O ATOM 905 CB GLU D 61 6.097 -6.772 -12.699 1.00 0.00 C ATOM 906 CG GLU D 61 6.520 -7.719 -11.584 1.00 0.00 C ATOM 907 CD GLU D 61 6.625 -9.146 -12.063 1.00 0.00 C ATOM 908 OE1 GLU D 61 7.441 -9.405 -12.967 1.00 0.00 O ATOM 909 OE2 GLU D 61 5.882 -10.003 -11.548 1.00 0.00 O1- ATOM 0 H GLU D 61 7.981 -5.454 -11.520 1.00 0.00 H new ATOM 0 HA GLU D 61 5.640 -4.712 -13.120 1.00 0.00 H new ATOM 0 HB2 GLU D 61 5.116 -7.076 -13.065 1.00 0.00 H new ATOM 0 HB3 GLU D 61 6.794 -6.876 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU D 61 7.482 -7.400 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU D 61 5.800 -7.663 -10.768 1.00 0.00 H new ATOM 916 N LYS D 62 3.809 -5.045 -11.367 1.00 0.00 N ATOM 917 CA LYS D 62 2.825 -5.020 -10.298 1.00 0.00 C ATOM 918 C LYS D 62 2.685 -6.403 -9.702 1.00 0.00 C ATOM 919 O LYS D 62 2.083 -7.294 -10.304 1.00 0.00 O ATOM 920 CB LYS D 62 1.462 -4.536 -10.793 1.00 0.00 C ATOM 921 CG LYS D 62 1.472 -3.107 -11.300 1.00 0.00 C ATOM 922 CD LYS D 62 0.084 -2.655 -11.730 1.00 0.00 C ATOM 923 CE LYS D 62 -0.457 -3.500 -12.874 1.00 0.00 C ATOM 924 NZ LYS D 62 0.431 -3.450 -14.068 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.420 -4.990 -12.308 1.00 0.00 H new ATOM 0 HA LYS D 62 3.175 -4.319 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS D 62 1.121 -5.194 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS D 62 0.739 -4.619 -9.981 1.00 0.00 H new ATOM 0 HG2 LYS D 62 1.845 -2.446 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS D 62 2.159 -3.024 -12.142 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.597 -2.714 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.121 -1.610 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -0.564 -4.533 -12.544 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.452 -3.148 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.056 -3.879 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.663 -2.460 -14.287 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 1.307 -3.976 -13.872 1.00 0.00 H new ATOM 938 N VAL D 63 3.214 -6.568 -8.506 1.00 0.00 N ATOM 939 CA VAL D 63 3.116 -7.831 -7.807 1.00 0.00 C ATOM 940 C VAL D 63 1.713 -7.987 -7.231 1.00 0.00 C ATOM 941 O VAL D 63 1.173 -9.095 -7.160 1.00 0.00 O ATOM 942 CB VAL D 63 4.185 -7.948 -6.708 1.00 0.00 C ATOM 943 CG1 VAL D 63 4.035 -6.856 -5.661 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.162 -9.323 -6.064 1.00 0.00 C ATOM 0 H VAL D 63 3.717 -5.841 -7.998 1.00 0.00 H new ATOM 0 HA VAL D 63 3.299 -8.639 -8.516 1.00 0.00 H new ATOM 0 HB VAL D 63 5.156 -7.815 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.808 -6.972 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.136 -5.880 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL D 63 3.053 -6.932 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.929 -9.376 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.184 -9.499 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.357 -10.083 -6.821 1.00 0.00 H new ATOM 954 N TYR D 64 1.084 -6.849 -6.942 1.00 0.00 N ATOM 955 CA TYR D 64 -0.300 -6.831 -6.509 1.00 0.00 C ATOM 956 C TYR D 64 -0.993 -5.555 -6.982 1.00 0.00 C ATOM 957 O TYR D 64 -0.471 -4.452 -6.804 1.00 0.00 O ATOM 958 CB TYR D 64 -0.399 -6.934 -4.984 1.00 0.00 C ATOM 959 CG TYR D 64 -1.830 -7.054 -4.500 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.286 -6.334 -3.403 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.734 -7.874 -5.166 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.601 -6.428 -2.990 1.00 0.00 C ATOM 963 CE2 TYR D 64 -4.046 -7.974 -4.755 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.475 -7.248 -3.669 1.00 0.00 C ATOM 965 OH TYR D 64 -5.787 -7.332 -3.268 1.00 0.00 O ATOM 0 H TYR D 64 1.518 -5.928 -7.002 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.798 -7.694 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.169 -7.800 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.061 -6.054 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.603 -5.692 -2.866 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.402 -8.443 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.943 -5.860 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.733 -8.619 -5.283 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.269 -7.953 -3.853 1.00 0.00 H new ATOM 975 N THR D 65 -2.206 -5.714 -7.497 1.00 0.00 N ATOM 976 CA THR D 65 -3.035 -4.588 -7.891 1.00 0.00 C ATOM 977 C THR D 65 -4.333 -4.606 -7.090 1.00 0.00 C ATOM 978 O THR D 65 -5.086 -5.581 -7.138 1.00 0.00 O ATOM 979 CB THR D 65 -3.333 -4.649 -9.373 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.135 -4.688 -10.133 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.165 -3.488 -9.885 1.00 0.00 C ATOM 0 H THR D 65 -2.639 -6.624 -7.652 1.00 0.00 H new ATOM 0 HA THR D 65 -2.500 -3.661 -7.686 1.00 0.00 H new ATOM 0 HB THR D 65 -3.912 -5.564 -9.498 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.354 -4.729 -11.087 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.335 -3.606 -10.955 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.123 -3.470 -9.366 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.636 -2.553 -9.702 1.00 0.00 H new ATOM 989 N PHE D 66 -4.618 -3.525 -6.379 1.00 0.00 N ATOM 990 CA PHE D 66 -5.858 -3.443 -5.617 1.00 0.00 C ATOM 991 C PHE D 66 -6.583 -2.156 -5.917 1.00 0.00 C ATOM 992 O PHE D 66 -5.976 -1.130 -6.192 1.00 0.00 O ATOM 993 CB PHE D 66 -5.624 -3.636 -4.116 1.00 0.00 C ATOM 994 CG PHE D 66 -4.731 -2.629 -3.423 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.157 -1.328 -3.195 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.473 -3.000 -2.967 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.351 -0.425 -2.529 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.662 -2.097 -2.306 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.102 -0.809 -2.085 1.00 0.00 C ATOM 0 H PHE D 66 -4.018 -2.703 -6.313 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.498 -4.266 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.594 -3.627 -3.618 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.197 -4.627 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.131 -1.017 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.123 -4.009 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.699 0.583 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.684 -2.400 -1.963 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.471 -0.103 -1.566 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.884 -2.247 -5.959 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.710 -1.123 -6.324 1.00 0.00 C ATOM 1011 C ASN D 67 -9.468 -0.645 -5.107 1.00 0.00 C ATOM 1012 O ASN D 67 -10.033 -1.454 -4.397 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.667 -1.527 -7.456 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.520 -2.738 -7.114 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.003 -3.806 -6.780 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -11.831 -2.593 -7.225 1.00 0.00 N ATOM 0 H ASN D 67 -8.403 -3.098 -5.742 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.088 -0.304 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.319 -0.685 -7.690 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.088 -1.740 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -12.449 -3.381 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -12.223 -1.694 -7.504 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.433 0.655 -4.828 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.089 1.187 -3.631 1.00 0.00 C ATOM 1025 C GLU D 68 -11.605 1.061 -3.742 1.00 0.00 C ATOM 1026 O GLU D 68 -12.317 1.139 -2.741 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.709 2.634 -3.385 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.216 2.904 -3.380 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.463 2.095 -2.345 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.225 2.213 -2.292 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.114 1.364 -1.574 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.965 1.354 -5.404 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.745 0.594 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.174 3.253 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.125 2.947 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.811 2.684 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.047 3.965 -3.195 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.064 0.673 -4.934 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.456 0.288 -5.128 1.00 0.00 C ATOM 1040 C LYS D 69 -13.708 -0.919 -4.259 1.00 0.00 C ATOM 1041 O LYS D 69 -14.611 -0.924 -3.419 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.704 -0.087 -6.579 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.280 0.999 -7.543 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.512 0.612 -8.998 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.993 0.442 -9.311 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.231 0.143 -10.750 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.490 0.618 -5.775 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.116 1.115 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.163 -1.004 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.764 -0.298 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.832 1.913 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.223 1.220 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.089 1.377 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.986 -0.318 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.402 -0.364 -8.701 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.528 1.351 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.252 0.035 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.865 0.923 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -14.743 -0.739 -11.007 1.00 0.00 H new ATOM 1060 N SER D 70 -12.701 -1.786 -4.268 1.00 0.00 N ATOM 1061 CA SER D 70 -12.602 -2.812 -3.273 1.00 0.00 C ATOM 1062 C SER D 70 -12.298 -2.133 -1.952 1.00 0.00 C ATOM 1063 O SER D 70 -11.339 -1.379 -1.851 1.00 0.00 O ATOM 1064 CB SER D 70 -11.500 -3.820 -3.614 1.00 0.00 C ATOM 1065 OG SER D 70 -11.471 -4.885 -2.676 1.00 0.00 O ATOM 0 H SER D 70 -11.950 -1.787 -4.958 1.00 0.00 H new ATOM 0 HA SER D 70 -13.538 -3.369 -3.223 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.665 -4.218 -4.615 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.534 -3.316 -3.626 1.00 0.00 H new ATOM 0 HG SER D 70 -10.760 -5.515 -2.918 1.00 0.00 H new ATOM 1071 N THR D 71 -13.116 -2.377 -0.957 1.00 0.00 N ATOM 1072 CA THR D 71 -12.920 -1.773 0.348 1.00 0.00 C ATOM 1073 C THR D 71 -11.519 -2.085 0.859 1.00 0.00 C ATOM 1074 O THR D 71 -11.090 -3.238 0.800 1.00 0.00 O ATOM 1075 CB THR D 71 -13.965 -2.325 1.297 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.863 -3.734 1.406 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.381 -2.001 0.871 1.00 0.00 C ATOM 0 H THR D 71 -13.928 -2.991 -1.022 1.00 0.00 H new ATOM 0 HA THR D 71 -13.024 -0.690 0.280 1.00 0.00 H new ATOM 0 HB THR D 71 -13.764 -1.845 2.255 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.221 -4.022 2.272 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.083 -2.423 1.590 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.510 -0.919 0.830 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.571 -2.427 -0.114 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.787 -1.065 1.326 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.436 -1.262 1.803 1.00 0.00 C ATOM 1087 C VAL D 72 -9.398 -2.287 2.923 1.00 0.00 C ATOM 1088 O VAL D 72 -8.381 -2.946 3.138 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.734 0.044 2.233 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.526 0.247 1.340 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.654 1.255 2.100 1.00 0.00 C ATOM 0 H VAL D 72 -11.118 -0.102 1.379 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.872 -1.643 0.952 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.448 -0.045 3.281 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.013 1.165 1.625 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.846 -0.598 1.450 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.849 0.320 0.302 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.121 2.153 2.413 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.967 1.362 1.061 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.532 1.116 2.731 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.578 -2.569 3.463 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.752 -3.682 4.348 1.00 0.00 C ATOM 1103 C GLY D 73 -10.500 -4.999 3.661 1.00 0.00 C ATOM 1104 O GLY D 73 -9.537 -5.692 3.977 1.00 0.00 O ATOM 0 H GLY D 73 -11.426 -2.029 3.293 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.074 -3.580 5.195 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.766 -3.671 4.748 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.353 -5.329 2.692 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.207 -6.571 1.925 1.00 0.00 C ATOM 1110 C ASN D 74 -9.906 -6.591 1.145 1.00 0.00 C ATOM 1111 O ASN D 74 -9.378 -7.656 0.841 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.384 -6.777 0.963 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.691 -7.063 1.678 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.107 -6.311 2.560 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.361 -8.142 1.288 1.00 0.00 N ATOM 0 H ASN D 74 -12.152 -4.757 2.418 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.196 -7.387 2.647 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.501 -5.887 0.345 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.156 -7.604 0.290 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.254 -8.373 1.723 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -13.982 -8.740 0.554 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.342 -5.421 0.920 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.035 -5.331 0.279 1.00 0.00 C ATOM 1124 C ILE D 75 -6.945 -5.765 1.248 1.00 0.00 C ATOM 1125 O ILE D 75 -6.026 -6.475 0.872 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.730 -3.910 -0.205 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.737 -3.423 -1.264 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.313 -3.818 -0.735 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.453 -2.012 -1.724 1.00 0.00 C ATOM 0 H ILE D 75 -9.760 -4.524 1.167 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.057 -5.992 -0.587 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.828 -3.251 0.658 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.710 -4.094 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.745 -3.472 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.117 -2.801 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.611 -4.079 0.057 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.191 -4.508 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.191 -1.717 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.507 -1.334 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.456 -1.966 -2.162 1.00 0.00 H new ATOM 1141 N SER D 76 -7.065 -5.363 2.508 1.00 0.00 N ATOM 1142 CA SER D 76 -6.087 -5.758 3.520 1.00 0.00 C ATOM 1143 C SER D 76 -6.298 -7.204 3.940 1.00 0.00 C ATOM 1144 O SER D 76 -5.330 -7.901 4.241 1.00 0.00 O ATOM 1145 CB SER D 76 -6.134 -4.821 4.726 1.00 0.00 C ATOM 1146 OG SER D 76 -5.256 -5.248 5.761 1.00 0.00 O ATOM 0 H SER D 76 -7.820 -4.770 2.853 1.00 0.00 H new ATOM 0 HA SER D 76 -5.094 -5.678 3.078 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.864 -3.812 4.413 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.153 -4.774 5.110 1.00 0.00 H new ATOM 0 HG SER D 76 -4.595 -5.871 5.393 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.507 -7.717 3.709 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.729 -9.155 3.802 1.00 0.00 C ATOM 1154 C ASN D 77 -6.864 -9.857 2.772 1.00 0.00 C ATOM 1155 O ASN D 77 -6.487 -10.999 2.955 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.200 -9.536 3.581 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.103 -9.148 4.736 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.236 -7.977 5.078 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.737 -10.140 5.342 1.00 0.00 N ATOM 0 H ASN D 77 -8.331 -7.169 3.461 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.461 -9.468 4.811 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.559 -9.055 2.671 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.269 -10.612 3.421 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.363 -9.944 6.123 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.600 -11.101 5.028 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.504 -9.120 1.724 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.602 -9.608 0.682 1.00 0.00 C ATOM 1168 C ASP D 78 -4.138 -9.250 0.937 1.00 0.00 C ATOM 1169 O ASP D 78 -3.251 -9.995 0.540 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.016 -9.087 -0.698 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.227 -9.803 -1.248 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.302 -9.734 -0.626 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.095 -10.453 -2.303 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.830 -8.165 1.572 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.686 -10.694 0.707 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.228 -8.020 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.183 -9.203 -1.391 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.868 -8.032 1.391 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.484 -7.553 1.426 1.00 0.00 C ATOM 1180 C ILE D 79 -1.638 -8.350 2.412 1.00 0.00 C ATOM 1181 O ILE D 79 -0.465 -8.633 2.149 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.381 -6.039 1.757 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.243 -5.223 0.802 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.938 -5.569 1.628 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.251 -3.744 1.111 1.00 0.00 C ATOM 0 H ILE D 79 -4.565 -7.370 1.732 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.095 -7.703 0.419 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.730 -5.895 2.780 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.883 -5.371 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.266 -5.599 0.837 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.879 -4.506 1.863 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.310 -6.129 2.321 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.591 -5.735 0.608 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.885 -3.225 0.391 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.639 -3.585 2.117 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.235 -3.354 1.048 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.251 -8.774 3.503 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.587 -9.610 4.483 1.00 0.00 C ATOM 1199 C ASN D 80 -1.269 -10.985 3.907 1.00 0.00 C ATOM 1200 O ASN D 80 -0.502 -11.750 4.491 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.462 -9.741 5.725 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.605 -8.431 6.473 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.084 -7.438 5.928 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.183 -8.418 7.730 1.00 0.00 N ATOM 0 H ASN D 80 -3.219 -8.549 3.733 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.643 -9.139 4.758 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.449 -10.100 5.434 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.034 -10.491 6.390 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -2.250 -7.563 8.282 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -1.792 -9.263 8.145 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.880 -11.299 2.767 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.679 -12.588 2.117 1.00 0.00 C ATOM 1213 C LYS D 81 -0.507 -12.472 1.165 1.00 0.00 C ATOM 1214 O LYS D 81 0.466 -13.214 1.245 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.899 -12.998 1.293 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.203 -12.493 1.855 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.402 -12.863 3.318 1.00 0.00 C ATOM 1218 CE LYS D 81 -4.823 -14.316 3.524 1.00 0.00 C ATOM 1219 NZ LYS D 81 -3.785 -15.290 3.096 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.520 -10.675 2.275 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.504 -13.333 2.893 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.782 -12.624 0.276 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -2.936 -14.086 1.231 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -4.241 -11.409 1.752 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -5.027 -12.899 1.268 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -3.474 -12.681 3.861 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.158 -12.208 3.751 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.051 -14.476 4.578 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -5.741 -14.504 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -3.812 -16.122 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -3.969 -15.585 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -2.847 -14.845 3.154 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.653 -11.521 0.243 1.00 0.00 N ATOM 1234 CA LEU D 82 0.327 -11.240 -0.794 1.00 0.00 C ATOM 1235 C LEU D 82 1.720 -10.988 -0.223 1.00 0.00 C ATOM 1236 O LEU D 82 2.721 -11.268 -0.884 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.155 -10.053 -1.606 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.236 -10.376 -2.645 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.643 -11.150 -3.808 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.400 -11.164 -2.065 1.00 0.00 C ATOM 0 H LEU D 82 -1.473 -10.916 0.199 1.00 0.00 H new ATOM 0 HA LEU D 82 0.419 -12.117 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.543 -9.298 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.700 -9.611 -2.118 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.623 -9.417 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.425 -11.370 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.136 -10.553 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.214 -12.083 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.132 -11.362 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.035 -12.109 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.869 -10.587 -1.268 1.00 0.00 H new ATOM 1252 N ASN D 83 1.765 -10.574 1.048 1.00 0.00 N ATOM 1253 CA ASN D 83 3.023 -10.409 1.783 1.00 0.00 C ATOM 1254 C ASN D 83 4.013 -9.565 0.976 1.00 0.00 C ATOM 1255 O ASN D 83 4.986 -10.084 0.429 1.00 0.00 O ATOM 1256 CB ASN D 83 3.616 -11.793 2.094 1.00 0.00 C ATOM 1257 CG ASN D 83 4.838 -11.764 3.000 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.431 -12.806 3.274 1.00 0.00 O ATOM 1259 ND2 ASN D 83 5.212 -10.590 3.491 1.00 0.00 N ATOM 0 H ASN D 83 0.934 -10.345 1.594 1.00 0.00 H new ATOM 0 HA ASN D 83 2.825 -9.886 2.719 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.847 -12.408 2.561 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.886 -12.278 1.156 1.00 0.00 H new ATOM 0 HD21 ASN D 83 6.015 -10.532 4.117 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.697 -9.746 3.242 1.00 0.00 H new ATOM 1266 N ILE D 84 3.719 -8.279 0.839 1.00 0.00 N ATOM 1267 CA ILE D 84 4.547 -7.403 0.025 1.00 0.00 C ATOM 1268 C ILE D 84 5.858 -7.067 0.734 1.00 0.00 C ATOM 1269 O ILE D 84 5.935 -6.130 1.529 1.00 0.00 O ATOM 1270 CB ILE D 84 3.826 -6.090 -0.387 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.595 -6.360 -1.266 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.780 -5.170 -1.125 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.450 -7.051 -0.561 1.00 0.00 C ATOM 0 H ILE D 84 2.919 -7.823 1.278 1.00 0.00 H new ATOM 0 HA ILE D 84 4.758 -7.960 -0.888 1.00 0.00 H new ATOM 0 HB ILE D 84 3.488 -5.610 0.532 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.237 -5.411 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.900 -6.970 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.259 -4.255 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.622 -4.924 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.146 -5.669 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.628 -7.199 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.785 -8.018 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE D 84 1.111 -6.435 0.272 1.00 0.00 H new ATOM 1285 N LYS D 85 6.908 -7.775 0.358 1.00 0.00 N ATOM 1286 CA LYS D 85 8.241 -7.493 0.860 1.00 0.00 C ATOM 1287 C LYS D 85 9.255 -7.434 -0.275 1.00 0.00 C ATOM 1288 O LYS D 85 8.869 -7.524 -1.442 1.00 0.00 O ATOM 1289 CB LYS D 85 8.649 -8.479 1.976 1.00 0.00 C ATOM 1290 CG LYS D 85 8.220 -9.950 1.823 1.00 0.00 C ATOM 1291 CD LYS D 85 8.915 -10.722 0.697 1.00 0.00 C ATOM 1292 CE LYS D 85 8.333 -10.433 -0.678 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.986 -11.247 -1.739 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.862 -8.555 -0.298 1.00 0.00 H new ATOM 0 HA LYS D 85 8.226 -6.504 1.318 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.735 -8.454 2.065 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.243 -8.107 2.917 1.00 0.00 H new ATOM 0 HG2 LYS D 85 8.408 -10.466 2.765 1.00 0.00 H new ATOM 0 HG3 LYS D 85 7.144 -9.981 1.652 1.00 0.00 H new ATOM 0 HD2 LYS D 85 9.976 -10.471 0.695 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.840 -11.791 0.898 1.00 0.00 H new ATOM 0 HE2 LYS D 85 7.263 -10.639 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS D 85 8.452 -9.374 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 8.334 -11.359 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.852 -10.769 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 9.229 -12.184 -1.358 1.00 0.00 H new ATOM 1307 N GLY D 86 10.515 -7.161 0.069 1.00 0.00 N ATOM 1308 CA GLY D 86 11.564 -6.953 -0.929 1.00 0.00 C ATOM 1309 C GLY D 86 11.608 -8.016 -2.003 1.00 0.00 C ATOM 1310 O GLY D 86 11.027 -9.092 -1.855 1.00 0.00 O ATOM 0 H GLY D 86 10.834 -7.079 1.034 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.416 -5.981 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY D 86 12.530 -6.920 -0.425 1.00 0.00 H new ATOM 1314 N PRO D 87 12.316 -7.752 -3.103 1.00 0.00 N ATOM 1315 CA PRO D 87 13.031 -6.497 -3.331 1.00 0.00 C ATOM 1316 C PRO D 87 12.239 -5.438 -4.116 1.00 0.00 C ATOM 1317 O PRO D 87 11.085 -5.665 -4.462 1.00 0.00 O ATOM 1318 CB PRO D 87 14.225 -6.995 -4.123 1.00 0.00 C ATOM 1319 CG PRO D 87 13.701 -8.126 -4.950 1.00 0.00 C ATOM 1320 CD PRO D 87 12.470 -8.661 -4.242 1.00 0.00 C ATOM 0 HA PRO D 87 13.260 -5.971 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.638 -6.206 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO D 87 15.025 -7.328 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.450 -7.785 -5.955 1.00 0.00 H new ATOM 0 HG3 PRO D 87 14.454 -8.907 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.594 -8.646 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.608 -9.692 -3.918 1.00 0.00 H new ATOM 1328 N TYR D 88 12.913 -4.296 -4.386 1.00 0.00 N ATOM 1329 CA TYR D 88 12.376 -3.136 -5.140 1.00 0.00 C ATOM 1330 C TYR D 88 10.854 -3.057 -5.134 1.00 0.00 C ATOM 1331 O TYR D 88 10.206 -3.627 -6.002 1.00 0.00 O ATOM 1332 CB TYR D 88 12.834 -3.153 -6.607 1.00 0.00 C ATOM 1333 CG TYR D 88 14.332 -3.175 -6.821 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.061 -4.342 -6.648 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.013 -2.026 -7.196 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.427 -4.366 -6.848 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.378 -2.041 -7.397 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.080 -3.213 -7.222 1.00 0.00 C ATOM 1339 OH TYR D 88 18.440 -3.231 -7.428 1.00 0.00 O ATOM 0 H TYR D 88 13.874 -4.151 -4.077 1.00 0.00 H new ATOM 0 HA TYR D 88 12.774 -2.265 -4.620 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.402 -4.027 -7.094 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.426 -2.275 -7.107 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.552 -5.247 -6.352 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.466 -1.105 -7.333 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.980 -5.284 -6.712 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.893 -1.138 -7.690 1.00 0.00 H new ATOM 0 HH TYR D 88 18.743 -2.336 -7.688 1.00 0.00 H new ATOM 1349 N ILE D 89 10.294 -2.320 -4.188 1.00 0.00 N ATOM 1350 CA ILE D 89 8.848 -2.147 -4.112 1.00 0.00 C ATOM 1351 C ILE D 89 8.427 -0.719 -4.417 1.00 0.00 C ATOM 1352 O ILE D 89 8.982 0.235 -3.865 1.00 0.00 O ATOM 1353 CB ILE D 89 8.335 -2.549 -2.719 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.707 -4.006 -2.442 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.827 -2.383 -2.633 1.00 0.00 C ATOM 1356 CD1 ILE D 89 8.325 -4.458 -1.060 1.00 0.00 C ATOM 0 H ILE D 89 10.817 -1.831 -3.461 1.00 0.00 H new ATOM 0 HA ILE D 89 8.407 -2.796 -4.869 1.00 0.00 H new ATOM 0 HB ILE D 89 8.798 -1.901 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.217 -4.646 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.781 -4.132 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.485 -2.673 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.565 -1.341 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.348 -3.016 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.615 -5.500 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.835 -3.840 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE D 89 7.247 -4.362 -0.931 1.00 0.00 H new ATOM 1368 N GLU D 90 7.338 -0.590 -5.165 1.00 0.00 N ATOM 1369 CA GLU D 90 6.718 0.712 -5.384 1.00 0.00 C ATOM 1370 C GLU D 90 5.231 0.648 -5.040 1.00 0.00 C ATOM 1371 O GLU D 90 4.402 0.255 -5.859 1.00 0.00 O ATOM 1372 CB GLU D 90 6.911 1.191 -6.826 1.00 0.00 C ATOM 1373 CG GLU D 90 6.368 2.589 -7.079 1.00 0.00 C ATOM 1374 CD GLU D 90 6.568 3.042 -8.507 1.00 0.00 C ATOM 1375 OE1 GLU D 90 6.123 4.155 -8.846 1.00 0.00 O ATOM 1376 OE2 GLU D 90 7.178 2.288 -9.291 1.00 0.00 O1- ATOM 0 H GLU D 90 6.867 -1.367 -5.629 1.00 0.00 H new ATOM 0 HA GLU D 90 7.207 1.432 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU D 90 7.974 1.174 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.419 0.491 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU D 90 5.305 2.610 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU D 90 6.859 3.292 -6.407 1.00 0.00 H new ATOM 1383 N ILE D 91 4.920 1.026 -3.815 1.00 0.00 N ATOM 1384 CA ILE D 91 3.559 1.027 -3.301 1.00 0.00 C ATOM 1385 C ILE D 91 2.941 2.423 -3.449 1.00 0.00 C ATOM 1386 O ILE D 91 3.191 3.314 -2.630 1.00 0.00 O ATOM 1387 CB ILE D 91 3.568 0.576 -1.811 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.980 -0.889 -1.699 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.242 0.792 -1.111 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.860 -1.439 -0.295 1.00 0.00 C ATOM 0 H ILE D 91 5.613 1.346 -3.138 1.00 0.00 H new ATOM 0 HA ILE D 91 2.951 0.327 -3.874 1.00 0.00 H new ATOM 0 HB ILE D 91 4.299 1.208 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.361 -1.485 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.011 -0.996 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.318 0.457 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.988 1.852 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.464 0.223 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.168 -2.484 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.500 -0.866 0.376 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.825 -1.363 0.038 1.00 0.00 H new ATOM 1402 N LYS D 92 2.121 2.612 -4.492 1.00 0.00 N ATOM 1403 CA LYS D 92 1.462 3.901 -4.727 1.00 0.00 C ATOM 1404 C LYS D 92 0.280 3.706 -5.678 1.00 0.00 C ATOM 1405 O LYS D 92 0.200 2.681 -6.360 1.00 0.00 O ATOM 1406 CB LYS D 92 2.459 4.927 -5.318 1.00 0.00 C ATOM 1407 CG LYS D 92 2.543 4.956 -6.847 1.00 0.00 C ATOM 1408 CD LYS D 92 2.869 3.610 -7.475 1.00 0.00 C ATOM 1409 CE LYS D 92 2.689 3.660 -8.986 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.533 4.708 -9.620 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.900 1.893 -5.181 1.00 0.00 H new ATOM 0 HA LYS D 92 1.100 4.289 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.182 5.921 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.451 4.714 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.593 5.311 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.303 5.678 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.895 3.331 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.223 2.841 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.939 2.688 -9.412 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.641 3.850 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.536 4.575 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.149 5.647 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.506 4.636 -9.259 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.565 4.722 -5.834 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.615 4.632 -6.838 1.00 0.00 C ATOM 1426 C GLN D 93 -1.054 4.932 -8.213 1.00 0.00 C ATOM 1427 O GLN D 93 0.055 5.443 -8.353 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.795 5.543 -6.552 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.435 7.008 -6.552 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.629 7.915 -6.325 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -3.494 9.138 -6.293 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.805 7.324 -6.168 1.00 0.00 N ATOM 0 H GLN D 93 -0.545 5.589 -5.297 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.989 3.609 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.570 5.367 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.220 5.281 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.693 7.193 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.970 7.262 -7.505 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -4.873 6.307 -6.201 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -5.642 7.886 -6.014 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.750 4.449 -9.209 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.257 4.468 -10.568 1.00 0.00 C ATOM 1443 C ILE D 94 -2.138 5.304 -11.488 1.00 0.00 C ATOM 1444 O ILE D 94 -1.625 5.780 -12.517 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.176 3.034 -11.079 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.523 2.355 -10.863 1.00 0.00 C ATOM 1447 CG2 ILE D 94 -0.067 2.269 -10.378 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.541 0.894 -11.204 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.332 5.482 -11.174 1.00 0.00 O ATOM 0 H ILE D 94 -2.674 4.031 -9.105 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.270 4.930 -10.569 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.941 3.044 -12.143 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.814 2.476 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.275 2.866 -11.465 1.00 0.00 H new ATOM 0 HG21 ILE D 94 -0.030 1.249 -10.761 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.888 2.761 -10.564 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.261 2.247 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.537 0.490 -11.021 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.283 0.762 -12.255 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.816 0.367 -10.584 1.00 0.00 H new