USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 35 GLN : amide:sc= -1.22 K(o=-2.4,f=-12!) USER MOD Set 1.2: D 83 ASN :FLIP amide:sc= -1.2 F(o=-7.2!,f=-2.4) USER MOD Set 2.1: D 71 THR OG1 : rot 37:sc= 0.743 USER MOD Set 2.2: D 74 ASN : amide:sc= -0.0514 K(o=0.69,f=-0.99) USER MOD Set 3.1: D 53 ASN :FLIP amide:sc= -0.0615 F(o=-3.8!,f=-1.3) USER MOD Set 3.2: D 67 ASN : amide:sc= -1.07 K(o=-1.3,f=-2.4!) USER MOD Set 3.3: D 70 SER OG : rot 180:sc= -0.209 USER MOD Set 4.1: D 31 MET CE :methyl -118:sc= -1.16 (180deg=-1.23) USER MOD Set 4.2: D 85 LYS NZ :NH3+ -152:sc= -0.148 (180deg=0) USER MOD Set 5.1: D 17 ASN : amide:sc= -4.37! C(o=-3.7!,f=-7.3!) USER MOD Set 5.2: D 28 SER OG : rot 19:sc= 0.676 USER MOD Single : D 14 ASN :FLIP amide:sc=-0.00744 F(o=-2.1!,f=-0.0074) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0377) USER MOD Single : D 21 ASN : amide:sc= -4.84! C(o=-4.8!,f=-7.3!) USER MOD Single : D 22 LYS NZ :NH3+ -141:sc= -0.0155 (180deg=-1.31) USER MOD Single : D 24 LYS NZ :NH3+ -157:sc= -0.163 (180deg=-0.876) USER MOD Single : D 26 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.198) USER MOD Single : D 30 SER OG : rot -105:sc= 0.167 USER MOD Single : D 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 34 ASN :FLIP amide:sc= 0 F(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 130:sc= -2.59! USER MOD Single : D 40 SER OG : rot -70:sc= -3.13! USER MOD Single : D 41 SER OG : rot 180:sc= -0.0141 USER MOD Single : D 42 ASN :FLIP amide:sc= -0.448 F(o=-1.7,f=-0.45) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.443 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00799) USER MOD Single : D 59 ASN : amide:sc= -0.582 K(o=-0.58,f=-4.8!) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 60:sc= -1.33 USER MOD Single : D 65 THR OG1 : rot 140:sc= -0.985 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 SER OG : rot -110:sc= 0 USER MOD Single : D 77 ASN :FLIP amide:sc= -0.129 F(o=-1.9!,f=-0.13) USER MOD Single : D 80 ASN : amide:sc= -0.178 X(o=-0.18,f=0.15) USER MOD Single : D 81 LYS NZ :NH3+ -172:sc=-0.00313 (180deg=-0.0904) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -172:sc= 0.774 (180deg=0.641) USER MOD Single : D 93 GLN : amide:sc= 0.143 K(o=0.14,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.641 3.756 3.984 1.00 0.00 N ATOM 185 CA ILE D 13 5.701 2.687 4.124 1.00 0.00 C ATOM 186 C ILE D 13 4.653 2.968 5.214 1.00 0.00 C ATOM 187 O ILE D 13 3.563 2.397 5.213 1.00 0.00 O ATOM 188 CB ILE D 13 6.512 1.437 4.433 1.00 0.00 C ATOM 189 CG1 ILE D 13 5.625 0.246 4.607 1.00 0.00 C ATOM 190 CG2 ILE D 13 7.358 1.628 5.680 1.00 0.00 C ATOM 191 CD1 ILE D 13 4.908 -0.187 3.346 1.00 0.00 C ATOM 0 HA ILE D 13 5.127 2.564 3.206 1.00 0.00 H new ATOM 0 HB ILE D 13 7.171 1.263 3.583 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.224 -0.587 4.975 1.00 0.00 H new ATOM 0 HG13 ILE D 13 4.883 0.469 5.374 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.927 0.719 5.877 1.00 0.00 H new ATOM 0 HG22 ILE D 13 8.045 2.461 5.529 1.00 0.00 H new ATOM 0 HG23 ILE D 13 6.710 1.842 6.530 1.00 0.00 H new ATOM 0 HD11 ILE D 13 4.287 -1.056 3.561 1.00 0.00 H new ATOM 0 HD12 ILE D 13 4.280 0.628 2.987 1.00 0.00 H new ATOM 0 HD13 ILE D 13 5.641 -0.445 2.581 1.00 0.00 H new ATOM 203 N ASN D 14 4.942 3.932 6.065 1.00 0.00 N ATOM 204 CA ASN D 14 3.979 4.394 7.063 1.00 0.00 C ATOM 205 C ASN D 14 3.226 5.621 6.553 1.00 0.00 C ATOM 206 O ASN D 14 2.029 5.769 6.789 1.00 0.00 O ATOM 207 CB ASN D 14 4.669 4.719 8.393 1.00 0.00 C ATOM 208 CG ASN D 14 5.264 3.498 9.074 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.069 2.327 8.484 1.00 0.00 O flip ATOM 210 ND2 ASN D 14 5.880 3.606 10.135 1.00 0.00 N flip ATOM 0 H ASN D 14 5.839 4.417 6.091 1.00 0.00 H new ATOM 0 HA ASN D 14 3.268 3.586 7.235 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.459 5.449 8.216 1.00 0.00 H new ATOM 0 HB3 ASN D 14 3.948 5.186 9.064 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.009 4.525 10.558 1.00 0.00 H new ATOM 0 HD22 ASN D 14 6.261 2.777 10.590 1.00 0.00 H new ATOM 217 N SER D 15 3.915 6.488 5.818 1.00 0.00 N ATOM 218 CA SER D 15 3.274 7.665 5.255 1.00 0.00 C ATOM 219 C SER D 15 2.424 7.277 4.052 1.00 0.00 C ATOM 220 O SER D 15 1.444 7.945 3.730 1.00 0.00 O ATOM 221 CB SER D 15 4.292 8.727 4.853 1.00 0.00 C ATOM 222 OG SER D 15 5.196 8.233 3.876 1.00 0.00 O ATOM 0 H SER D 15 4.908 6.397 5.601 1.00 0.00 H new ATOM 0 HA SER D 15 2.635 8.092 6.028 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.773 9.602 4.461 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.847 9.053 5.733 1.00 0.00 H new ATOM 0 HG SER D 15 5.835 8.936 3.637 1.00 0.00 H new ATOM 228 N VAL D 16 2.762 6.147 3.430 1.00 0.00 N ATOM 229 CA VAL D 16 1.981 5.623 2.316 1.00 0.00 C ATOM 230 C VAL D 16 0.571 5.324 2.802 1.00 0.00 C ATOM 231 O VAL D 16 -0.397 5.334 2.047 1.00 0.00 O ATOM 232 CB VAL D 16 2.611 4.339 1.722 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.374 3.134 2.611 1.00 0.00 C ATOM 234 CG2 VAL D 16 2.093 4.070 0.332 1.00 0.00 C ATOM 0 H VAL D 16 3.572 5.579 3.681 1.00 0.00 H new ATOM 0 HA VAL D 16 1.963 6.374 1.527 1.00 0.00 H new ATOM 0 HB VAL D 16 3.686 4.510 1.665 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.831 2.253 2.160 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.818 3.312 3.591 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.302 2.969 2.723 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.553 3.162 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL D 16 1.011 3.943 0.365 1.00 0.00 H new ATOM 0 HG23 VAL D 16 2.340 4.910 -0.317 1.00 0.00 H new ATOM 244 N ASN D 17 0.490 5.142 4.104 1.00 0.00 N ATOM 245 CA ASN D 17 -0.766 4.918 4.800 1.00 0.00 C ATOM 246 C ASN D 17 -1.529 6.214 4.878 1.00 0.00 C ATOM 247 O ASN D 17 -2.732 6.242 4.728 1.00 0.00 O ATOM 248 CB ASN D 17 -0.501 4.415 6.218 1.00 0.00 C ATOM 249 CG ASN D 17 0.270 3.115 6.258 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.658 2.655 7.328 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.477 2.500 5.103 1.00 0.00 N ATOM 0 H ASN D 17 1.304 5.145 4.719 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.344 4.172 4.255 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.054 5.175 6.768 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.453 4.281 6.732 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.975 1.610 5.081 1.00 0.00 H new ATOM 0 HD22 ASN D 17 0.138 2.916 4.236 1.00 0.00 H new ATOM 258 N ASP D 18 -0.800 7.286 5.122 1.00 0.00 N ATOM 259 CA ASP D 18 -1.363 8.623 5.237 1.00 0.00 C ATOM 260 C ASP D 18 -2.140 9.055 3.989 1.00 0.00 C ATOM 261 O ASP D 18 -2.990 9.941 4.071 1.00 0.00 O ATOM 262 CB ASP D 18 -0.222 9.603 5.497 1.00 0.00 C ATOM 263 CG ASP D 18 0.405 9.436 6.863 1.00 0.00 C ATOM 264 OD1 ASP D 18 1.383 10.147 7.159 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.088 8.606 7.650 1.00 0.00 O1- ATOM 0 H ASP D 18 0.212 7.256 5.248 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.077 8.617 6.060 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.544 9.470 4.733 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.597 10.622 5.398 1.00 0.00 H new ATOM 270 N LYS D 19 -1.933 8.376 2.862 1.00 0.00 N ATOM 271 CA LYS D 19 -2.734 8.671 1.664 1.00 0.00 C ATOM 272 C LYS D 19 -3.952 7.788 1.668 1.00 0.00 C ATOM 273 O LYS D 19 -5.048 8.191 1.289 1.00 0.00 O ATOM 274 CB LYS D 19 -1.999 8.432 0.345 1.00 0.00 C ATOM 275 CG LYS D 19 -0.658 9.118 0.251 1.00 0.00 C ATOM 276 CD LYS D 19 0.367 8.291 0.966 1.00 0.00 C ATOM 277 CE LYS D 19 1.735 8.927 0.983 1.00 0.00 C ATOM 278 NZ LYS D 19 2.301 9.115 -0.381 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.239 7.637 2.748 1.00 0.00 H new ATOM 0 HA LYS D 19 -2.977 9.732 1.715 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -1.856 7.360 0.211 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.628 8.775 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.374 9.248 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.713 10.113 0.692 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.038 8.123 1.992 1.00 0.00 H new ATOM 0 HD3 LYS D 19 0.433 7.313 0.489 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.675 9.894 1.483 1.00 0.00 H new ATOM 0 HE3 LYS D 19 2.412 8.306 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 3.267 9.492 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 2.323 8.201 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.708 9.783 -0.914 1.00 0.00 H new ATOM 292 N LEU D 20 -3.701 6.555 2.057 1.00 0.00 N ATOM 293 CA LEU D 20 -4.699 5.511 2.094 1.00 0.00 C ATOM 294 C LEU D 20 -5.731 5.797 3.177 1.00 0.00 C ATOM 295 O LEU D 20 -6.912 5.485 3.045 1.00 0.00 O ATOM 296 CB LEU D 20 -3.990 4.201 2.404 1.00 0.00 C ATOM 297 CG LEU D 20 -2.903 3.801 1.400 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.167 2.560 1.864 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.510 3.570 0.027 1.00 0.00 C ATOM 0 H LEU D 20 -2.778 6.246 2.362 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.215 5.458 1.136 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.540 4.274 3.394 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.733 3.405 2.449 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.185 4.619 1.334 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.401 2.297 1.134 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.698 2.754 2.828 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.872 1.735 1.963 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.725 3.287 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.250 2.772 0.086 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -3.991 4.486 -0.317 1.00 0.00 H new ATOM 311 N ASN D 21 -5.247 6.384 4.259 1.00 0.00 N ATOM 312 CA ASN D 21 -6.065 6.725 5.403 1.00 0.00 C ATOM 313 C ASN D 21 -6.851 7.995 5.126 1.00 0.00 C ATOM 314 O ASN D 21 -6.265 9.075 5.059 1.00 0.00 O ATOM 315 CB ASN D 21 -5.181 6.905 6.647 1.00 0.00 C ATOM 316 CG ASN D 21 -4.707 5.586 7.228 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.511 4.719 7.561 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.404 5.428 7.382 1.00 0.00 N ATOM 0 H ASN D 21 -4.265 6.638 4.365 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.769 5.914 5.588 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.315 7.514 6.387 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.739 7.452 7.407 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.039 4.566 7.788 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.763 6.168 7.095 1.00 0.00 H new ATOM 325 N LYS D 22 -8.132 7.861 4.776 1.00 0.00 N ATOM 326 CA LYS D 22 -8.864 9.033 4.297 1.00 0.00 C ATOM 327 C LYS D 22 -10.107 9.348 5.126 1.00 0.00 C ATOM 328 O LYS D 22 -10.404 10.515 5.380 1.00 0.00 O ATOM 329 CB LYS D 22 -9.252 8.847 2.831 1.00 0.00 C ATOM 330 CG LYS D 22 -8.094 8.372 1.969 1.00 0.00 C ATOM 331 CD LYS D 22 -8.406 8.453 0.486 1.00 0.00 C ATOM 332 CE LYS D 22 -8.553 9.895 0.025 1.00 0.00 C ATOM 333 NZ LYS D 22 -8.751 9.999 -1.445 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.665 6.992 4.812 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.191 9.884 4.403 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.067 8.127 2.765 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.628 9.791 2.437 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.212 8.975 2.186 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.848 7.343 2.230 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.611 7.968 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.326 7.907 0.276 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.399 10.353 0.537 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.664 10.458 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -8.225 10.819 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -8.404 9.133 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -9.763 10.118 -1.651 1.00 0.00 H new ATOM 347 N GLY D 23 -10.870 8.328 5.493 1.00 0.00 N ATOM 348 CA GLY D 23 -12.092 8.563 6.217 1.00 0.00 C ATOM 349 C GLY D 23 -13.070 7.418 6.098 1.00 0.00 C ATOM 350 O GLY D 23 -13.207 6.632 7.033 1.00 0.00 O ATOM 0 H GLY D 23 -10.662 7.348 5.301 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.860 8.729 7.269 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.560 9.475 5.846 1.00 0.00 H new ATOM 354 N LYS D 24 -13.707 7.294 4.928 1.00 0.00 N ATOM 355 CA LYS D 24 -14.638 6.192 4.658 1.00 0.00 C ATOM 356 C LYS D 24 -13.942 4.880 4.954 1.00 0.00 C ATOM 357 O LYS D 24 -14.382 4.089 5.784 1.00 0.00 O ATOM 358 CB LYS D 24 -15.053 6.202 3.183 1.00 0.00 C ATOM 359 CG LYS D 24 -16.200 5.274 2.828 1.00 0.00 C ATOM 360 CD LYS D 24 -17.509 5.786 3.384 1.00 0.00 C ATOM 361 CE LYS D 24 -18.683 5.022 2.807 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.696 5.065 1.320 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.594 7.945 4.151 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.522 6.309 5.285 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.331 7.219 2.907 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.188 5.933 2.577 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.274 5.181 1.745 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.000 4.277 3.221 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.508 5.692 4.470 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.614 6.847 3.156 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.640 3.985 3.140 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.613 5.442 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.662 4.893 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.375 6.000 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.060 4.332 0.946 1.00 0.00 H new ATOM 376 N GLY D 25 -12.804 4.715 4.312 1.00 0.00 N ATOM 377 CA GLY D 25 -11.964 3.579 4.526 1.00 0.00 C ATOM 378 C GLY D 25 -10.534 3.927 4.290 1.00 0.00 C ATOM 379 O GLY D 25 -10.229 4.992 3.753 1.00 0.00 O ATOM 0 H GLY D 25 -12.443 5.376 3.624 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.091 3.214 5.545 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.261 2.770 3.858 1.00 0.00 H new ATOM 383 N LYS D 26 -9.678 3.179 4.930 1.00 0.00 N ATOM 384 CA LYS D 26 -8.302 3.554 5.036 1.00 0.00 C ATOM 385 C LYS D 26 -7.416 2.334 5.117 1.00 0.00 C ATOM 386 O LYS D 26 -7.893 1.236 5.400 1.00 0.00 O ATOM 387 CB LYS D 26 -8.199 4.407 6.264 1.00 0.00 C ATOM 388 CG LYS D 26 -8.947 3.793 7.409 1.00 0.00 C ATOM 389 CD LYS D 26 -9.203 4.798 8.512 1.00 0.00 C ATOM 390 CE LYS D 26 -10.293 5.774 8.090 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.464 6.883 9.067 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.916 2.299 5.388 1.00 0.00 H new ATOM 0 HA LYS D 26 -7.965 4.105 4.158 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.151 4.534 6.536 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.597 5.400 6.056 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -9.897 3.395 7.052 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.378 2.953 7.807 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.501 4.280 9.424 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.286 5.341 8.739 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.048 6.188 7.112 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -11.236 5.238 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -11.364 7.372 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.470 6.497 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.678 7.557 8.968 1.00 0.00 H new ATOM 405 N LEU D 27 -6.151 2.510 4.804 1.00 0.00 N ATOM 406 CA LEU D 27 -5.226 1.399 4.772 1.00 0.00 C ATOM 407 C LEU D 27 -3.888 1.753 5.417 1.00 0.00 C ATOM 408 O LEU D 27 -3.366 2.854 5.249 1.00 0.00 O ATOM 409 CB LEU D 27 -5.051 0.940 3.337 1.00 0.00 C ATOM 410 CG LEU D 27 -3.946 -0.084 3.115 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.198 -1.347 3.926 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.819 -0.428 1.641 1.00 0.00 C ATOM 0 H LEU D 27 -5.739 3.413 4.568 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.639 0.580 5.361 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -5.993 0.515 2.991 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.847 1.812 2.716 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.010 0.361 3.453 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.393 -2.060 3.748 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.234 -1.097 4.986 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.148 -1.789 3.625 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.024 -1.161 1.506 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.761 -0.844 1.282 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.581 0.473 1.076 1.00 0.00 H new ATOM 424 N SER D 28 -3.369 0.811 6.185 1.00 0.00 N ATOM 425 CA SER D 28 -2.125 0.976 6.912 1.00 0.00 C ATOM 426 C SER D 28 -1.215 -0.195 6.607 1.00 0.00 C ATOM 427 O SER D 28 -1.691 -1.288 6.313 1.00 0.00 O ATOM 428 CB SER D 28 -2.399 1.012 8.414 1.00 0.00 C ATOM 429 OG SER D 28 -1.243 1.380 9.149 1.00 0.00 O ATOM 0 H SER D 28 -3.806 -0.100 6.322 1.00 0.00 H new ATOM 0 HA SER D 28 -1.653 1.910 6.608 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.202 1.719 8.621 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.744 0.032 8.745 1.00 0.00 H new ATOM 0 HG SER D 28 -0.603 1.822 8.553 1.00 0.00 H new ATOM 435 N LEU D 29 0.085 0.013 6.721 1.00 0.00 N ATOM 436 CA LEU D 29 1.034 -1.058 6.504 1.00 0.00 C ATOM 437 C LEU D 29 2.135 -1.005 7.549 1.00 0.00 C ATOM 438 O LEU D 29 2.473 0.064 8.061 1.00 0.00 O ATOM 439 CB LEU D 29 1.654 -0.968 5.117 1.00 0.00 C ATOM 440 CG LEU D 29 0.653 -0.846 3.968 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.355 -0.454 2.680 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.086 -2.154 3.762 1.00 0.00 C ATOM 0 H LEU D 29 0.504 0.911 6.962 1.00 0.00 H new ATOM 0 HA LEU D 29 0.495 -2.002 6.587 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.322 -0.107 5.089 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.268 -1.854 4.952 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.063 -0.068 4.232 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.623 -0.373 1.877 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.853 0.506 2.815 1.00 0.00 H new ATOM 0 HD13 LEU D 29 2.094 -1.213 2.423 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.794 -2.047 2.940 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.629 -2.942 3.525 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.625 -2.415 4.673 1.00 0.00 H new ATOM 454 N SER D 30 2.710 -2.152 7.836 1.00 0.00 N ATOM 455 CA SER D 30 3.792 -2.249 8.794 1.00 0.00 C ATOM 456 C SER D 30 4.770 -3.329 8.346 1.00 0.00 C ATOM 457 O SER D 30 4.667 -3.850 7.231 1.00 0.00 O ATOM 458 CB SER D 30 3.228 -2.549 10.191 1.00 0.00 C ATOM 459 OG SER D 30 4.249 -2.602 11.177 1.00 0.00 O ATOM 0 H SER D 30 2.443 -3.041 7.414 1.00 0.00 H new ATOM 0 HA SER D 30 4.327 -1.301 8.846 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.502 -1.782 10.461 1.00 0.00 H new ATOM 0 HB3 SER D 30 2.694 -3.499 10.170 1.00 0.00 H new ATOM 0 HG SER D 30 4.417 -3.535 11.425 1.00 0.00 H new ATOM 465 N MET D 31 5.715 -3.660 9.205 1.00 0.00 N ATOM 466 CA MET D 31 6.708 -4.670 8.899 1.00 0.00 C ATOM 467 C MET D 31 7.081 -5.434 10.154 1.00 0.00 C ATOM 468 O MET D 31 6.840 -4.973 11.267 1.00 0.00 O ATOM 469 CB MET D 31 7.954 -4.020 8.299 1.00 0.00 C ATOM 470 CG MET D 31 8.615 -3.010 9.228 1.00 0.00 C ATOM 471 SD MET D 31 10.003 -2.155 8.463 1.00 0.00 S ATOM 472 CE MET D 31 9.171 -1.272 7.147 1.00 0.00 C ATOM 0 H MET D 31 5.815 -3.239 10.129 1.00 0.00 H new ATOM 0 HA MET D 31 6.285 -5.365 8.173 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.675 -4.798 8.047 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.683 -3.523 7.368 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.874 -2.277 9.545 1.00 0.00 H new ATOM 0 HG3 MET D 31 8.961 -3.522 10.126 1.00 0.00 H new ATOM 0 HE1 MET D 31 9.552 -1.611 6.184 1.00 0.00 H new ATOM 0 HE2 MET D 31 8.099 -1.464 7.201 1.00 0.00 H new ATOM 0 HE3 MET D 31 9.354 -0.203 7.254 1.00 0.00 H new ATOM 482 N ASN D 32 7.759 -6.547 9.967 1.00 0.00 N ATOM 483 CA ASN D 32 8.280 -7.323 11.078 1.00 0.00 C ATOM 484 C ASN D 32 9.536 -8.038 10.622 1.00 0.00 C ATOM 485 O ASN D 32 9.460 -9.115 10.038 1.00 0.00 O ATOM 486 CB ASN D 32 7.238 -8.341 11.561 1.00 0.00 C ATOM 487 CG ASN D 32 7.723 -9.130 12.761 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.011 -8.560 13.813 1.00 0.00 O ATOM 489 ND2 ASN D 32 7.827 -10.443 12.611 1.00 0.00 N ATOM 0 H ASN D 32 7.965 -6.939 9.048 1.00 0.00 H new ATOM 0 HA ASN D 32 8.511 -6.658 11.910 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.316 -7.820 11.819 1.00 0.00 H new ATOM 0 HB3 ASN D 32 7.000 -9.028 10.749 1.00 0.00 H new ATOM 0 HD21 ASN D 32 8.156 -11.020 13.385 1.00 0.00 H new ATOM 0 HD22 ASN D 32 7.578 -10.876 11.722 1.00 0.00 H new ATOM 496 N GLY D 33 10.671 -7.365 10.735 1.00 0.00 N ATOM 497 CA GLY D 33 11.892 -7.896 10.152 1.00 0.00 C ATOM 498 C GLY D 33 11.861 -7.803 8.640 1.00 0.00 C ATOM 499 O GLY D 33 12.038 -6.724 8.078 1.00 0.00 O ATOM 0 H GLY D 33 10.772 -6.470 11.214 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.751 -7.345 10.536 1.00 0.00 H new ATOM 0 HA3 GLY D 33 12.020 -8.936 10.453 1.00 0.00 H new ATOM 503 N ASN D 34 11.521 -8.907 7.986 1.00 0.00 N ATOM 504 CA ASN D 34 11.331 -8.920 6.534 1.00 0.00 C ATOM 505 C ASN D 34 9.869 -9.164 6.200 1.00 0.00 C ATOM 506 O ASN D 34 9.535 -9.569 5.087 1.00 0.00 O ATOM 507 CB ASN D 34 12.185 -10.008 5.873 1.00 0.00 C ATOM 508 CG ASN D 34 13.681 -9.783 6.004 1.00 0.00 C ATOM 509 OD1 ASN D 34 14.082 -8.664 6.593 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 14.477 -10.611 5.561 1.00 0.00 N flip ATOM 0 H ASN D 34 11.370 -9.810 8.437 1.00 0.00 H new ATOM 0 HA ASN D 34 11.642 -7.948 6.150 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.933 -10.972 6.315 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.928 -10.065 4.815 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.133 -11.461 5.114 1.00 0.00 H new ATOM 0 HD22 ASN D 34 15.481 -10.447 5.641 1.00 0.00 H new ATOM 517 N GLN D 35 9.016 -9.020 7.204 1.00 0.00 N ATOM 518 CA GLN D 35 7.604 -9.331 7.053 1.00 0.00 C ATOM 519 C GLN D 35 6.835 -8.109 6.572 1.00 0.00 C ATOM 520 O GLN D 35 7.281 -6.972 6.737 1.00 0.00 O ATOM 521 CB GLN D 35 7.030 -9.814 8.386 1.00 0.00 C ATOM 522 CG GLN D 35 5.659 -10.464 8.286 1.00 0.00 C ATOM 523 CD GLN D 35 5.671 -11.706 7.422 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.957 -11.639 6.228 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.371 -12.847 8.021 1.00 0.00 N ATOM 0 H GLN D 35 9.279 -8.689 8.132 1.00 0.00 H new ATOM 0 HA GLN D 35 7.502 -10.122 6.310 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.725 -10.528 8.828 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.967 -8.966 9.068 1.00 0.00 H new ATOM 0 HG2 GLN D 35 5.309 -10.723 9.285 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.949 -9.746 7.876 1.00 0.00 H new ATOM 0 HE21 GLN D 35 5.140 -12.856 9.014 1.00 0.00 H new ATOM 0 HE22 GLN D 35 5.371 -13.718 7.489 1.00 0.00 H new ATOM 534 N LEU D 36 5.672 -8.358 5.998 1.00 0.00 N ATOM 535 CA LEU D 36 4.807 -7.304 5.496 1.00 0.00 C ATOM 536 C LEU D 36 3.454 -7.363 6.180 1.00 0.00 C ATOM 537 O LEU D 36 2.945 -8.442 6.483 1.00 0.00 O ATOM 538 CB LEU D 36 4.744 -7.434 3.970 1.00 0.00 C ATOM 539 CG LEU D 36 3.662 -6.667 3.170 1.00 0.00 C ATOM 540 CD1 LEU D 36 2.264 -7.215 3.417 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.699 -5.177 3.476 1.00 0.00 C ATOM 0 H LEU D 36 5.299 -9.298 5.866 1.00 0.00 H new ATOM 0 HA LEU D 36 5.200 -6.314 5.728 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.714 -7.128 3.579 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.627 -8.493 3.740 1.00 0.00 H new ATOM 0 HG LEU D 36 3.897 -6.815 2.116 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.541 -6.644 2.834 1.00 0.00 H new ATOM 0 HD12 LEU D 36 2.226 -8.262 3.118 1.00 0.00 H new ATOM 0 HD13 LEU D 36 2.022 -7.131 4.477 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.927 -4.668 2.899 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.520 -5.019 4.540 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.676 -4.775 3.209 1.00 0.00 H new ATOM 553 N LYS D 37 2.974 -6.193 6.569 1.00 0.00 N ATOM 554 CA LYS D 37 1.785 -6.085 7.395 1.00 0.00 C ATOM 555 C LYS D 37 0.844 -5.021 6.839 1.00 0.00 C ATOM 556 O LYS D 37 1.291 -3.956 6.433 1.00 0.00 O ATOM 557 CB LYS D 37 2.211 -5.690 8.807 1.00 0.00 C ATOM 558 CG LYS D 37 3.243 -6.626 9.415 1.00 0.00 C ATOM 559 CD LYS D 37 2.645 -7.986 9.738 1.00 0.00 C ATOM 560 CE LYS D 37 3.643 -8.875 10.450 1.00 0.00 C ATOM 561 NZ LYS D 37 3.074 -10.210 10.776 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.395 -5.297 6.322 1.00 0.00 H new ATOM 0 HA LYS D 37 1.263 -7.042 7.404 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.618 -4.679 8.785 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.331 -5.666 9.450 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.076 -6.749 8.722 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.648 -6.181 10.324 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.761 -7.857 10.362 1.00 0.00 H new ATOM 0 HD3 LYS D 37 2.318 -8.469 8.817 1.00 0.00 H new ATOM 0 HE2 LYS D 37 4.526 -9.001 9.824 1.00 0.00 H new ATOM 0 HE3 LYS D 37 3.971 -8.388 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 3.792 -10.784 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 2.247 -10.093 11.395 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.785 -10.688 9.899 1.00 0.00 H new ATOM 575 N ALA D 38 -0.448 -5.293 6.864 1.00 0.00 N ATOM 576 CA ALA D 38 -1.451 -4.342 6.421 1.00 0.00 C ATOM 577 C ALA D 38 -2.650 -4.339 7.353 1.00 0.00 C ATOM 578 O ALA D 38 -3.050 -5.383 7.872 1.00 0.00 O ATOM 579 CB ALA D 38 -1.901 -4.683 5.023 1.00 0.00 C ATOM 0 H ALA D 38 -0.832 -6.179 7.192 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.003 -3.349 6.430 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.654 -3.965 4.698 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.047 -4.645 4.347 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.328 -5.686 5.013 1.00 0.00 H new ATOM 585 N THR D 39 -3.262 -3.175 7.487 1.00 0.00 N ATOM 586 CA THR D 39 -4.478 -3.013 8.267 1.00 0.00 C ATOM 587 C THR D 39 -5.363 -1.936 7.652 1.00 0.00 C ATOM 588 O THR D 39 -4.916 -0.823 7.414 1.00 0.00 O ATOM 589 CB THR D 39 -4.141 -2.664 9.720 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.170 -1.633 9.780 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.631 -3.837 10.530 1.00 0.00 C ATOM 0 H THR D 39 -2.929 -2.312 7.057 1.00 0.00 H new ATOM 0 HA THR D 39 -5.023 -3.957 8.257 1.00 0.00 H new ATOM 0 HB THR D 39 -5.085 -2.340 10.157 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.477 -0.929 10.389 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.415 -3.510 11.547 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.389 -4.620 10.554 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.722 -4.227 10.073 1.00 0.00 H new ATOM 599 N SER D 40 -6.636 -2.231 7.487 1.00 0.00 N ATOM 600 CA SER D 40 -7.586 -1.249 7.002 1.00 0.00 C ATOM 601 C SER D 40 -8.488 -0.858 8.144 1.00 0.00 C ATOM 602 O SER D 40 -8.481 -1.504 9.194 1.00 0.00 O ATOM 603 CB SER D 40 -8.408 -1.824 5.859 1.00 0.00 C ATOM 604 OG SER D 40 -9.135 -2.970 6.274 1.00 0.00 O ATOM 0 H SER D 40 -7.039 -3.147 7.683 1.00 0.00 H new ATOM 0 HA SER D 40 -7.054 -0.374 6.627 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.099 -1.067 5.488 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.750 -2.088 5.031 1.00 0.00 H new ATOM 0 HG SER D 40 -8.514 -3.711 6.433 1.00 0.00 H new ATOM 610 N SER D 41 -9.290 0.156 7.949 1.00 0.00 N ATOM 611 CA SER D 41 -10.216 0.543 8.997 1.00 0.00 C ATOM 612 C SER D 41 -11.606 0.800 8.440 1.00 0.00 C ATOM 613 O SER D 41 -11.764 1.053 7.236 1.00 0.00 O ATOM 614 CB SER D 41 -9.689 1.754 9.766 1.00 0.00 C ATOM 615 OG SER D 41 -10.619 2.202 10.738 1.00 0.00 O ATOM 0 H SER D 41 -9.327 0.720 7.100 1.00 0.00 H new ATOM 0 HA SER D 41 -10.297 -0.288 9.698 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.749 1.495 10.254 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.474 2.563 9.068 1.00 0.00 H new ATOM 0 HG SER D 41 -10.249 2.976 11.212 1.00 0.00 H new ATOM 621 N ASN D 42 -12.601 0.613 9.322 1.00 0.00 N ATOM 622 CA ASN D 42 -14.028 0.682 8.988 1.00 0.00 C ATOM 623 C ASN D 42 -14.484 -0.613 8.332 1.00 0.00 C ATOM 624 O ASN D 42 -15.648 -0.755 7.961 1.00 0.00 O ATOM 625 CB ASN D 42 -14.364 1.892 8.118 1.00 0.00 C ATOM 626 CG ASN D 42 -14.101 3.192 8.849 1.00 0.00 C ATOM 627 OD1 ASN D 42 -13.201 3.999 8.315 1.00 0.00 O flip ATOM 628 ND2 ASN D 42 -14.696 3.464 9.890 1.00 0.00 N flip ATOM 0 H ASN D 42 -12.430 0.406 10.306 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.575 0.810 9.922 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.770 1.861 7.204 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.411 1.847 7.819 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -15.384 2.813 10.269 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -14.502 4.340 10.374 1.00 0.00 H new ATOM 635 N ALA D 43 -13.588 -1.602 8.368 1.00 0.00 N ATOM 636 CA ALA D 43 -13.883 -2.979 7.965 1.00 0.00 C ATOM 637 C ALA D 43 -14.711 -3.080 6.682 1.00 0.00 C ATOM 638 O ALA D 43 -15.745 -3.749 6.661 1.00 0.00 O ATOM 639 CB ALA D 43 -14.586 -3.702 9.102 1.00 0.00 C ATOM 0 H ALA D 43 -12.627 -1.468 8.681 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.927 -3.454 7.745 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.805 -4.727 8.801 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.941 -3.712 9.981 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -15.517 -3.187 9.340 1.00 0.00 H new ATOM 645 N GLY D 44 -14.192 -2.546 5.582 1.00 0.00 N ATOM 646 CA GLY D 44 -14.849 -2.751 4.311 1.00 0.00 C ATOM 647 C GLY D 44 -15.436 -1.497 3.712 1.00 0.00 C ATOM 648 O GLY D 44 -16.409 -1.567 2.965 1.00 0.00 O ATOM 0 H GLY D 44 -13.341 -1.984 5.549 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -14.132 -3.176 3.608 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.644 -3.486 4.439 1.00 0.00 H new ATOM 652 N TYR D 45 -14.761 -0.375 3.897 1.00 0.00 N ATOM 653 CA TYR D 45 -15.132 0.845 3.204 1.00 0.00 C ATOM 654 C TYR D 45 -13.942 1.319 2.383 1.00 0.00 C ATOM 655 O TYR D 45 -12.797 1.063 2.749 1.00 0.00 O ATOM 656 CB TYR D 45 -15.582 1.951 4.171 1.00 0.00 C ATOM 657 CG TYR D 45 -16.883 1.668 4.922 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.876 2.642 5.054 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.122 0.430 5.501 1.00 0.00 C ATOM 660 CE1 TYR D 45 -19.050 2.380 5.733 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.292 0.165 6.179 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.252 1.141 6.292 1.00 0.00 C ATOM 663 OH TYR D 45 -20.419 0.875 6.968 1.00 0.00 O ATOM 0 H TYR D 45 -13.957 -0.284 4.518 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.982 0.627 2.557 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.789 2.119 4.900 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.700 2.877 3.609 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.723 3.618 4.617 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.373 -0.344 5.418 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.806 3.146 5.824 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.454 -0.807 6.620 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.402 -0.047 7.300 1.00 0.00 H new ATOM 673 N GLY D 46 -14.216 1.978 1.270 1.00 0.00 N ATOM 674 CA GLY D 46 -13.157 2.458 0.397 1.00 0.00 C ATOM 675 C GLY D 46 -12.889 3.927 0.610 1.00 0.00 C ATOM 676 O GLY D 46 -13.201 4.452 1.667 1.00 0.00 O ATOM 0 H GLY D 46 -15.160 2.193 0.950 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.245 1.890 0.583 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.434 2.285 -0.643 1.00 0.00 H new ATOM 680 N ILE D 47 -12.390 4.605 -0.417 1.00 0.00 N ATOM 681 CA ILE D 47 -12.185 6.058 -0.350 1.00 0.00 C ATOM 682 C ILE D 47 -13.464 6.731 0.091 1.00 0.00 C ATOM 683 O ILE D 47 -13.489 7.522 1.038 1.00 0.00 O ATOM 684 CB ILE D 47 -11.880 6.672 -1.725 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.694 6.021 -2.402 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.641 8.165 -1.605 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.440 6.010 -1.556 1.00 0.00 C ATOM 0 H ILE D 47 -12.119 4.180 -1.304 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.352 6.210 0.336 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.757 6.490 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.954 4.995 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.487 6.545 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.427 8.580 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.530 8.644 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.794 8.346 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.633 5.528 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.154 7.034 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.628 5.460 -0.634 1.00 0.00 H new ATOM 699 N SER D 48 -14.489 6.470 -0.707 1.00 0.00 N ATOM 700 CA SER D 48 -15.787 7.087 -0.560 1.00 0.00 C ATOM 701 C SER D 48 -16.717 6.568 -1.655 1.00 0.00 C ATOM 702 O SER D 48 -17.458 5.603 -1.456 1.00 0.00 O ATOM 703 CB SER D 48 -15.638 8.613 -0.626 1.00 0.00 C ATOM 704 OG SER D 48 -15.066 9.042 -1.856 1.00 0.00 O ATOM 0 H SER D 48 -14.435 5.813 -1.485 1.00 0.00 H new ATOM 0 HA SER D 48 -16.221 6.832 0.407 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.616 9.078 -0.500 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.014 8.952 0.201 1.00 0.00 H new ATOM 0 HG SER D 48 -14.990 10.019 -1.858 1.00 0.00 H new ATOM 710 N TYR D 49 -16.535 7.113 -2.846 1.00 0.00 N ATOM 711 CA TYR D 49 -17.190 6.639 -4.054 1.00 0.00 C ATOM 712 C TYR D 49 -16.395 7.067 -5.271 1.00 0.00 C ATOM 713 O TYR D 49 -16.763 7.999 -5.994 1.00 0.00 O ATOM 714 CB TYR D 49 -18.632 7.147 -4.135 1.00 0.00 C ATOM 715 CG TYR D 49 -18.842 8.564 -3.596 1.00 0.00 C ATOM 716 CD1 TYR D 49 -18.013 9.618 -3.976 1.00 0.00 C ATOM 717 CD2 TYR D 49 -19.867 8.846 -2.687 1.00 0.00 C ATOM 718 CE1 TYR D 49 -18.194 10.890 -3.477 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.049 10.118 -2.190 1.00 0.00 C ATOM 720 CZ TYR D 49 -19.211 11.135 -2.586 1.00 0.00 C ATOM 721 OH TYR D 49 -19.389 12.402 -2.084 1.00 0.00 O ATOM 0 H TYR D 49 -15.918 7.910 -3.003 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.229 5.550 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -18.955 7.117 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.275 6.463 -3.581 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.212 9.434 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -20.527 8.053 -2.369 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -17.539 11.691 -3.785 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -20.848 10.317 -1.491 1.00 0.00 H new ATOM 0 HH TYR D 49 -20.151 12.406 -1.468 1.00 0.00 H new ATOM 731 N GLU D 50 -15.284 6.389 -5.474 1.00 0.00 N ATOM 732 CA GLU D 50 -14.383 6.690 -6.566 1.00 0.00 C ATOM 733 C GLU D 50 -13.714 5.426 -7.069 1.00 0.00 C ATOM 734 O GLU D 50 -13.425 4.522 -6.286 1.00 0.00 O ATOM 735 CB GLU D 50 -13.316 7.690 -6.110 1.00 0.00 C ATOM 736 CG GLU D 50 -13.840 9.101 -5.921 1.00 0.00 C ATOM 737 CD GLU D 50 -12.764 10.069 -5.495 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.191 9.884 -4.407 1.00 0.00 O ATOM 739 OE2 GLU D 50 -12.478 11.006 -6.261 1.00 0.00 O1- ATOM 0 H GLU D 50 -14.981 5.613 -4.886 1.00 0.00 H new ATOM 0 HA GLU D 50 -14.964 7.128 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -12.885 7.344 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.510 7.707 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.286 9.447 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -14.633 9.093 -5.173 1.00 0.00 H new ATOM 746 N ASP D 51 -13.406 5.381 -8.358 1.00 0.00 N ATOM 747 CA ASP D 51 -12.705 4.226 -8.894 1.00 0.00 C ATOM 748 C ASP D 51 -11.205 4.434 -8.802 1.00 0.00 C ATOM 749 O ASP D 51 -10.691 5.489 -9.173 1.00 0.00 O ATOM 750 CB ASP D 51 -13.162 3.869 -10.304 1.00 0.00 C ATOM 751 CG ASP D 51 -12.719 4.859 -11.356 1.00 0.00 C ATOM 752 OD1 ASP D 51 -13.117 6.038 -11.272 1.00 0.00 O ATOM 753 OD2 ASP D 51 -11.978 4.453 -12.269 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.624 6.111 -9.036 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.961 3.362 -8.280 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.778 2.882 -10.562 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.250 3.801 -10.317 1.00 0.00 H new ATOM 758 N LYS D 52 -10.558 3.535 -8.057 1.00 0.00 N ATOM 759 CA LYS D 52 -9.188 3.757 -7.627 1.00 0.00 C ATOM 760 C LYS D 52 -8.333 2.572 -7.972 1.00 0.00 C ATOM 761 O LYS D 52 -8.319 1.583 -7.252 1.00 0.00 O ATOM 762 CB LYS D 52 -9.111 3.968 -6.120 1.00 0.00 C ATOM 763 CG LYS D 52 -10.183 4.882 -5.558 1.00 0.00 C ATOM 764 CD LYS D 52 -10.289 6.200 -6.294 1.00 0.00 C ATOM 765 CE LYS D 52 -8.953 6.924 -6.409 1.00 0.00 C ATOM 766 NZ LYS D 52 -8.357 7.222 -5.078 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.963 2.653 -7.744 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.830 4.649 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -9.182 2.999 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -8.133 4.381 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -11.145 4.371 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -9.971 5.076 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.687 6.022 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -11.002 6.843 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -8.259 6.313 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.092 7.855 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -7.475 7.759 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.027 7.784 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.151 6.331 -4.582 1.00 0.00 H new ATOM 780 N ASN D 53 -7.585 2.703 -9.030 1.00 0.00 N ATOM 781 CA ASN D 53 -6.663 1.655 -9.427 1.00 0.00 C ATOM 782 C ASN D 53 -5.324 1.861 -8.757 1.00 0.00 C ATOM 783 O ASN D 53 -4.791 2.972 -8.737 1.00 0.00 O ATOM 784 CB ASN D 53 -6.506 1.594 -10.945 1.00 0.00 C ATOM 785 CG ASN D 53 -7.778 1.163 -11.646 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.870 1.010 -10.899 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.789 0.987 -12.865 1.00 0.00 N flip ATOM 0 H ASN D 53 -7.589 3.521 -9.639 1.00 0.00 H new ATOM 0 HA ASN D 53 -7.076 0.699 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -6.206 2.574 -11.315 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.704 0.900 -11.196 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.934 1.113 -13.406 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.653 0.715 -13.333 1.00 0.00 H new ATOM 794 N TRP D 54 -4.850 0.823 -8.093 1.00 0.00 N ATOM 795 CA TRP D 54 -3.650 0.932 -7.292 1.00 0.00 C ATOM 796 C TRP D 54 -2.605 -0.097 -7.687 1.00 0.00 C ATOM 797 O TRP D 54 -2.919 -1.090 -8.342 1.00 0.00 O ATOM 798 CB TRP D 54 -3.986 0.755 -5.819 1.00 0.00 C ATOM 799 CG TRP D 54 -3.681 1.969 -5.025 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.382 3.138 -4.932 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.508 2.137 -4.272 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.700 4.016 -4.117 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.536 3.414 -3.707 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.435 1.303 -4.017 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.505 3.872 -2.899 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.431 1.756 -3.222 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.467 3.030 -2.672 1.00 0.00 C ATOM 0 H TRP D 54 -5.278 -0.103 -8.094 1.00 0.00 H new ATOM 0 HA TRP D 54 -3.236 1.925 -7.469 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -5.044 0.512 -5.716 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.424 -0.089 -5.419 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.323 3.342 -5.421 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.008 4.954 -3.862 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.396 0.311 -4.442 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.529 4.862 -2.467 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.411 1.113 -3.014 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.351 3.358 -2.048 1.00 0.00 H new ATOM 818 N GLY D 55 -1.365 0.108 -7.237 1.00 0.00 N ATOM 819 CA GLY D 55 -0.332 -0.863 -7.525 1.00 0.00 C ATOM 820 C GLY D 55 0.815 -0.885 -6.527 1.00 0.00 C ATOM 821 O GLY D 55 1.002 0.025 -5.720 1.00 0.00 O ATOM 0 H GLY D 55 -1.067 0.915 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.784 -1.854 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.071 -0.661 -8.517 1.00 0.00 H new ATOM 825 N ILE D 56 1.561 -1.971 -6.615 1.00 0.00 N ATOM 826 CA ILE D 56 2.722 -2.279 -5.775 1.00 0.00 C ATOM 827 C ILE D 56 3.777 -2.904 -6.683 1.00 0.00 C ATOM 828 O ILE D 56 3.528 -3.954 -7.279 1.00 0.00 O ATOM 829 CB ILE D 56 2.322 -3.306 -4.687 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.191 -2.769 -3.811 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.509 -3.690 -3.827 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.709 -3.774 -2.790 1.00 0.00 C ATOM 0 H ILE D 56 1.372 -2.700 -7.303 1.00 0.00 H new ATOM 0 HA ILE D 56 3.097 -1.378 -5.289 1.00 0.00 H new ATOM 0 HB ILE D 56 1.968 -4.199 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.532 -1.871 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.355 -2.474 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.194 -4.412 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.284 -4.133 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.904 -2.801 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.094 -3.335 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.339 -4.663 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.534 -4.050 -2.133 1.00 0.00 H new ATOM 844 N PHE D 57 4.831 -2.159 -6.979 1.00 0.00 N ATOM 845 CA PHE D 57 5.744 -2.568 -8.040 1.00 0.00 C ATOM 846 C PHE D 57 7.118 -2.904 -7.487 1.00 0.00 C ATOM 847 O PHE D 57 7.908 -2.008 -7.203 1.00 0.00 O ATOM 848 CB PHE D 57 5.896 -1.461 -9.101 1.00 0.00 C ATOM 849 CG PHE D 57 4.598 -0.833 -9.546 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.071 -1.111 -10.796 1.00 0.00 C ATOM 851 CD2 PHE D 57 3.916 0.059 -8.728 1.00 0.00 C ATOM 852 CE1 PHE D 57 2.893 -0.521 -11.209 1.00 0.00 C ATOM 853 CE2 PHE D 57 2.746 0.639 -9.133 1.00 0.00 C ATOM 854 CZ PHE D 57 2.230 0.353 -10.370 1.00 0.00 C ATOM 0 H PHE D 57 5.074 -1.285 -6.512 1.00 0.00 H new ATOM 0 HA PHE D 57 5.313 -3.457 -8.501 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.544 -0.680 -8.702 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.400 -1.879 -9.973 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.586 -1.795 -11.454 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.317 0.299 -7.754 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.491 -0.743 -12.186 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.228 1.323 -8.477 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.305 0.811 -10.689 1.00 0.00 H new ATOM 864 N VAL D 58 7.466 -4.182 -7.492 1.00 0.00 N ATOM 865 CA VAL D 58 8.822 -4.575 -7.154 1.00 0.00 C ATOM 866 C VAL D 58 9.642 -4.889 -8.401 1.00 0.00 C ATOM 867 O VAL D 58 9.323 -5.807 -9.162 1.00 0.00 O ATOM 868 CB VAL D 58 8.891 -5.736 -6.123 1.00 0.00 C ATOM 869 CG1 VAL D 58 7.755 -6.705 -6.276 1.00 0.00 C ATOM 870 CG2 VAL D 58 10.199 -6.490 -6.256 1.00 0.00 C ATOM 0 H VAL D 58 6.838 -4.952 -7.723 1.00 0.00 H new ATOM 0 HA VAL D 58 9.268 -3.710 -6.663 1.00 0.00 H new ATOM 0 HB VAL D 58 8.820 -5.278 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL D 58 7.849 -7.497 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL D 58 6.809 -6.183 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL D 58 7.780 -7.140 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL D 58 10.229 -7.299 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL D 58 10.279 -6.905 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL D 58 11.031 -5.809 -6.077 1.00 0.00 H new ATOM 880 N ASN D 59 10.714 -4.110 -8.580 1.00 0.00 N ATOM 881 CA ASN D 59 11.639 -4.263 -9.704 1.00 0.00 C ATOM 882 C ASN D 59 10.906 -4.316 -11.038 1.00 0.00 C ATOM 883 O ASN D 59 11.115 -5.231 -11.837 1.00 0.00 O ATOM 884 CB ASN D 59 12.513 -5.508 -9.526 1.00 0.00 C ATOM 885 CG ASN D 59 13.443 -5.398 -8.333 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.002 -5.238 -7.197 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.738 -5.482 -8.585 1.00 0.00 N ATOM 0 H ASN D 59 10.964 -3.352 -7.945 1.00 0.00 H new ATOM 0 HA ASN D 59 12.282 -3.383 -9.714 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.874 -6.383 -9.405 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.103 -5.666 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.412 -5.414 -7.822 1.00 0.00 H new ATOM 0 HD22 ASN D 59 15.064 -5.615 -9.542 1.00 0.00 H new ATOM 894 N GLY D 60 10.083 -3.304 -11.288 1.00 0.00 N ATOM 895 CA GLY D 60 9.362 -3.212 -12.540 1.00 0.00 C ATOM 896 C GLY D 60 8.380 -4.340 -12.731 1.00 0.00 C ATOM 897 O GLY D 60 8.327 -4.961 -13.794 1.00 0.00 O ATOM 0 H GLY D 60 9.902 -2.539 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.829 -2.262 -12.579 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.074 -3.212 -13.365 1.00 0.00 H new ATOM 901 N GLU D 61 7.595 -4.592 -11.700 1.00 0.00 N ATOM 902 CA GLU D 61 6.589 -5.640 -11.736 1.00 0.00 C ATOM 903 C GLU D 61 5.502 -5.352 -10.712 1.00 0.00 C ATOM 904 O GLU D 61 5.749 -5.387 -9.503 1.00 0.00 O ATOM 905 CB GLU D 61 7.232 -7.004 -11.451 1.00 0.00 C ATOM 906 CG GLU D 61 6.267 -8.174 -11.542 1.00 0.00 C ATOM 907 CD GLU D 61 6.933 -9.496 -11.249 1.00 0.00 C ATOM 908 OE1 GLU D 61 7.442 -9.671 -10.125 1.00 0.00 O ATOM 909 OE2 GLU D 61 6.959 -10.359 -12.145 1.00 0.00 O1- ATOM 0 H GLU D 61 7.635 -4.080 -10.819 1.00 0.00 H new ATOM 0 HA GLU D 61 6.143 -5.664 -12.730 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.048 -7.164 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.671 -6.986 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU D 61 5.447 -8.020 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU D 61 5.830 -8.204 -12.540 1.00 0.00 H new ATOM 916 N LYS D 62 4.292 -5.096 -11.188 1.00 0.00 N ATOM 917 CA LYS D 62 3.176 -4.848 -10.293 1.00 0.00 C ATOM 918 C LYS D 62 2.629 -6.177 -9.795 1.00 0.00 C ATOM 919 O LYS D 62 1.961 -6.903 -10.530 1.00 0.00 O ATOM 920 CB LYS D 62 2.087 -4.026 -10.991 1.00 0.00 C ATOM 921 CG LYS D 62 0.910 -3.681 -10.088 1.00 0.00 C ATOM 922 CD LYS D 62 -0.038 -2.684 -10.743 1.00 0.00 C ATOM 923 CE LYS D 62 -0.637 -3.210 -12.041 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.541 -2.210 -12.671 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.061 -5.055 -12.181 1.00 0.00 H new ATOM 0 HA LYS D 62 3.522 -4.265 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.527 -3.103 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.721 -4.582 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.364 -4.591 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.281 -3.267 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.842 -2.443 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.498 -1.757 -10.944 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.164 -3.466 -12.735 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.191 -4.127 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.931 -2.601 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -2.319 -1.985 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.006 -1.344 -12.884 1.00 0.00 H new ATOM 938 N VAL D 63 3.028 -6.542 -8.587 1.00 0.00 N ATOM 939 CA VAL D 63 2.697 -7.843 -8.031 1.00 0.00 C ATOM 940 C VAL D 63 1.305 -7.874 -7.409 1.00 0.00 C ATOM 941 O VAL D 63 0.718 -8.944 -7.252 1.00 0.00 O ATOM 942 CB VAL D 63 3.743 -8.289 -7.006 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.090 -8.486 -7.679 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.864 -7.290 -5.866 1.00 0.00 C ATOM 0 H VAL D 63 3.585 -5.951 -7.970 1.00 0.00 H new ATOM 0 HA VAL D 63 2.699 -8.544 -8.866 1.00 0.00 H new ATOM 0 HB VAL D 63 3.414 -9.239 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL D 63 5.824 -8.803 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.002 -9.249 -8.452 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.412 -7.547 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.615 -7.637 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.161 -6.319 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.903 -7.197 -5.361 1.00 0.00 H new ATOM 954 N TYR D 64 0.748 -6.707 -7.112 1.00 0.00 N ATOM 955 CA TYR D 64 -0.602 -6.651 -6.579 1.00 0.00 C ATOM 956 C TYR D 64 -1.316 -5.380 -7.030 1.00 0.00 C ATOM 957 O TYR D 64 -0.815 -4.272 -6.829 1.00 0.00 O ATOM 958 CB TYR D 64 -0.581 -6.725 -5.052 1.00 0.00 C ATOM 959 CG TYR D 64 -1.960 -6.855 -4.438 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.834 -7.847 -4.867 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.390 -5.994 -3.437 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.092 -7.976 -4.317 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.647 -6.118 -2.883 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.494 -7.110 -3.326 1.00 0.00 C ATOM 965 OH TYR D 64 -5.746 -7.239 -2.776 1.00 0.00 O ATOM 0 H TYR D 64 1.203 -5.802 -7.229 1.00 0.00 H new ATOM 0 HA TYR D 64 -1.149 -7.510 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.027 -7.576 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.099 -5.830 -4.659 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.522 -8.529 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.729 -5.215 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.758 -8.753 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.966 -5.440 -2.105 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.835 -8.126 -2.370 1.00 0.00 H new ATOM 975 N THR D 65 -2.527 -5.549 -7.546 1.00 0.00 N ATOM 976 CA THR D 65 -3.374 -4.423 -7.910 1.00 0.00 C ATOM 977 C THR D 65 -4.614 -4.423 -7.036 1.00 0.00 C ATOM 978 O THR D 65 -5.350 -5.410 -7.005 1.00 0.00 O ATOM 979 CB THR D 65 -3.780 -4.504 -9.363 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.644 -4.586 -10.203 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.624 -3.332 -9.841 1.00 0.00 C ATOM 0 H THR D 65 -2.946 -6.462 -7.722 1.00 0.00 H new ATOM 0 HA THR D 65 -2.812 -3.501 -7.759 1.00 0.00 H new ATOM 0 HB THR D 65 -4.388 -5.406 -9.427 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.818 -5.224 -10.927 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.872 -3.468 -10.894 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.542 -3.282 -9.255 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.063 -2.405 -9.717 1.00 0.00 H new ATOM 989 N PHE D 66 -4.883 -3.318 -6.368 1.00 0.00 N ATOM 990 CA PHE D 66 -6.085 -3.227 -5.562 1.00 0.00 C ATOM 991 C PHE D 66 -6.819 -1.942 -5.842 1.00 0.00 C ATOM 992 O PHE D 66 -6.291 -1.036 -6.481 1.00 0.00 O ATOM 993 CB PHE D 66 -5.782 -3.395 -4.070 1.00 0.00 C ATOM 994 CG PHE D 66 -4.883 -2.358 -3.437 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.571 -2.667 -3.107 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.366 -1.100 -3.112 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.759 -1.741 -2.477 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.558 -0.169 -2.487 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.251 -0.489 -2.168 1.00 0.00 C ATOM 0 H PHE D 66 -4.297 -2.483 -6.366 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.739 -4.052 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.728 -3.400 -3.529 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.327 -4.374 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.178 -3.644 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.388 -0.844 -3.350 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.740 -1.998 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.948 0.809 -2.248 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.618 0.237 -1.679 1.00 0.00 H new ATOM 1009 N ASN D 67 -8.064 -1.907 -5.438 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.916 -0.775 -5.708 1.00 0.00 C ATOM 1011 C ASN D 67 -9.579 -0.332 -4.425 1.00 0.00 C ATOM 1012 O ASN D 67 -9.983 -1.165 -3.632 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.980 -1.151 -6.743 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.387 -1.569 -8.073 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.700 -0.795 -8.733 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.654 -2.799 -8.477 1.00 0.00 N ATOM 0 H ASN D 67 -8.514 -2.658 -4.915 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.314 0.042 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.589 -1.965 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.645 -0.301 -6.898 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.285 -3.135 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.229 -3.412 -7.899 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.750 0.967 -4.243 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.440 1.466 -3.068 1.00 0.00 C ATOM 1025 C GLU D 68 -11.934 1.233 -3.232 1.00 0.00 C ATOM 1026 O GLU D 68 -12.666 1.064 -2.255 1.00 0.00 O ATOM 1027 CB GLU D 68 -10.131 2.929 -2.869 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.639 3.221 -2.907 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.869 2.532 -1.800 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.852 1.288 -1.767 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -7.287 3.249 -0.962 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.424 1.688 -4.887 1.00 0.00 H new ATOM 0 HA GLU D 68 -10.099 0.932 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.631 3.511 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.537 3.256 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -8.238 2.906 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.484 4.297 -2.834 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.314 1.003 -4.486 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.639 0.521 -4.831 1.00 0.00 C ATOM 1040 C LYS D 69 -13.821 -0.809 -4.147 1.00 0.00 C ATOM 1041 O LYS D 69 -14.747 -1.031 -3.367 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.680 0.271 -6.323 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.181 1.434 -7.126 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.347 1.154 -8.609 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.578 -0.082 -9.055 1.00 0.00 C ATOM 1046 NZ LYS D 69 -12.708 -0.323 -10.516 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.705 1.148 -5.292 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.405 1.238 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.079 -0.608 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.704 0.044 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.730 2.336 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.131 1.619 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.405 1.022 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.005 2.017 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -11.525 0.035 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -12.944 -0.952 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -12.169 -1.174 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -13.710 -0.460 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -12.335 0.496 -11.037 1.00 0.00 H new ATOM 1060 N SER D 70 -12.788 -1.612 -4.348 1.00 0.00 N ATOM 1061 CA SER D 70 -12.611 -2.870 -3.676 1.00 0.00 C ATOM 1062 C SER D 70 -12.098 -2.618 -2.270 1.00 0.00 C ATOM 1063 O SER D 70 -11.015 -3.039 -1.937 1.00 0.00 O ATOM 1064 CB SER D 70 -11.616 -3.721 -4.457 1.00 0.00 C ATOM 1065 OG SER D 70 -12.012 -3.851 -5.815 1.00 0.00 O ATOM 0 H SER D 70 -12.036 -1.393 -5.001 1.00 0.00 H new ATOM 0 HA SER D 70 -13.562 -3.400 -3.617 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.626 -3.268 -4.405 1.00 0.00 H new ATOM 0 HB3 SER D 70 -11.540 -4.708 -4.001 1.00 0.00 H new ATOM 0 HG SER D 70 -11.357 -4.399 -6.296 1.00 0.00 H new ATOM 1071 N THR D 71 -12.907 -1.909 -1.491 1.00 0.00 N ATOM 1072 CA THR D 71 -12.640 -1.520 -0.105 1.00 0.00 C ATOM 1073 C THR D 71 -11.312 -2.029 0.466 1.00 0.00 C ATOM 1074 O THR D 71 -11.138 -3.240 0.641 1.00 0.00 O ATOM 1075 CB THR D 71 -13.779 -2.069 0.719 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.859 -3.478 0.582 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.119 -1.495 0.312 1.00 0.00 C ATOM 0 H THR D 71 -13.811 -1.572 -1.822 1.00 0.00 H new ATOM 0 HA THR D 71 -12.560 -0.433 -0.073 1.00 0.00 H new ATOM 0 HB THR D 71 -13.567 -1.785 1.750 1.00 0.00 H new ATOM 0 HG1 THR D 71 -12.955 -3.853 0.524 1.00 0.00 H new ATOM 0 HG21 THR D 71 -15.903 -1.923 0.936 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.105 -0.413 0.439 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.315 -1.735 -0.733 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.463 -1.087 0.911 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.249 -1.388 1.647 1.00 0.00 C ATOM 1087 C VAL D 72 -9.466 -2.438 2.732 1.00 0.00 C ATOM 1088 O VAL D 72 -8.539 -3.147 3.114 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.654 -0.104 2.271 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.692 0.554 1.312 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.754 0.894 2.564 1.00 0.00 C ATOM 0 H VAL D 72 -10.613 -0.089 0.762 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.544 -1.802 0.926 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.140 -0.391 3.188 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.283 1.456 1.768 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.880 -0.136 1.081 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -8.217 0.818 0.394 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.322 1.793 3.003 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.267 1.153 1.638 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.466 0.456 3.263 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.717 -2.591 3.146 1.00 0.00 N ATOM 1102 CA GLY D 73 -11.086 -3.612 4.091 1.00 0.00 C ATOM 1103 C GLY D 73 -10.805 -5.014 3.610 1.00 0.00 C ATOM 1104 O GLY D 73 -10.015 -5.737 4.209 1.00 0.00 O ATOM 0 H GLY D 73 -11.494 -2.009 2.832 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.548 -3.443 5.024 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -12.149 -3.520 4.315 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.511 -5.426 2.569 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.389 -6.797 2.068 1.00 0.00 C ATOM 1110 C ASN D 74 -10.058 -7.002 1.383 1.00 0.00 C ATOM 1111 O ASN D 74 -9.590 -8.127 1.236 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.527 -7.132 1.093 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.900 -7.087 1.738 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.297 -6.072 2.311 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.651 -8.175 1.621 1.00 0.00 N ATOM 0 H ASN D 74 -12.170 -4.842 2.055 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.454 -7.466 2.926 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.501 -6.430 0.260 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.360 -8.126 0.678 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.593 -8.189 2.013 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.287 -8.997 1.139 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.448 -5.910 0.984 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.156 -5.969 0.322 1.00 0.00 C ATOM 1124 C ILE D 75 -7.027 -6.156 1.307 1.00 0.00 C ATOM 1125 O ILE D 75 -6.091 -6.897 1.046 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.928 -4.713 -0.498 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.891 -4.719 -1.686 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.479 -4.590 -0.946 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.641 -5.844 -2.666 1.00 0.00 C ATOM 0 H ILE D 75 -9.822 -4.968 1.104 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.166 -6.836 -0.339 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.129 -3.838 0.120 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.913 -4.794 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.812 -3.767 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.355 -3.678 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.830 -4.551 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.213 -5.452 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.362 -5.783 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.631 -5.759 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.749 -6.801 -2.156 1.00 0.00 H new ATOM 1141 N SER D 76 -7.106 -5.485 2.435 1.00 0.00 N ATOM 1142 CA SER D 76 -6.056 -5.608 3.430 1.00 0.00 C ATOM 1143 C SER D 76 -6.139 -6.933 4.152 1.00 0.00 C ATOM 1144 O SER D 76 -5.111 -7.479 4.533 1.00 0.00 O ATOM 1145 CB SER D 76 -6.077 -4.439 4.407 1.00 0.00 C ATOM 1146 OG SER D 76 -5.153 -4.622 5.463 1.00 0.00 O ATOM 0 H SER D 76 -7.871 -4.858 2.687 1.00 0.00 H new ATOM 0 HA SER D 76 -5.100 -5.578 2.907 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.844 -3.516 3.875 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.080 -4.326 4.817 1.00 0.00 H new ATOM 0 HG SER D 76 -5.639 -4.786 6.298 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.302 -7.568 4.103 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.372 -8.957 4.515 1.00 0.00 C ATOM 1154 C ASN D 77 -6.544 -9.788 3.555 1.00 0.00 C ATOM 1155 O ASN D 77 -5.905 -10.754 3.957 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.806 -9.483 4.555 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.643 -8.827 5.629 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.805 -8.324 5.250 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -9.263 -8.806 6.801 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.182 -7.157 3.792 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.980 -9.031 5.530 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.275 -9.319 3.585 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.788 -10.560 4.722 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -8.358 -9.206 7.051 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -9.853 -8.389 7.521 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.508 -9.351 2.292 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.695 -10.008 1.272 1.00 0.00 C ATOM 1168 C ASP D 78 -4.220 -9.625 1.348 1.00 0.00 C ATOM 1169 O ASP D 78 -3.369 -10.347 0.840 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.219 -9.719 -0.140 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.550 -10.377 -0.425 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.054 -10.229 -1.557 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.091 -11.050 0.469 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.034 -8.545 1.955 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.777 -11.075 1.479 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.318 -8.641 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.487 -10.063 -0.870 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.905 -8.466 1.892 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.520 -8.014 1.895 1.00 0.00 C ATOM 1180 C ILE D 79 -1.680 -8.823 2.877 1.00 0.00 C ATOM 1181 O ILE D 79 -0.463 -8.940 2.719 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.412 -6.498 2.198 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.321 -5.740 1.238 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.976 -6.018 2.021 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.343 -4.244 1.448 1.00 0.00 C ATOM 0 H ILE D 79 -4.570 -7.829 2.330 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.125 -8.178 0.892 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.714 -6.316 3.229 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -3.002 -5.946 0.216 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.336 -6.124 1.339 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.920 -4.951 2.238 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.324 -6.562 2.704 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.657 -6.197 0.994 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -4.015 -3.785 0.723 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.692 -4.023 2.457 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.338 -3.843 1.316 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.341 -9.459 3.833 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.660 -10.329 4.766 1.00 0.00 C ATOM 1199 C ASN D 80 -1.195 -11.612 4.092 1.00 0.00 C ATOM 1200 O ASN D 80 -0.070 -12.056 4.313 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.555 -10.647 5.957 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.831 -9.430 6.817 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.472 -8.481 6.384 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.313 -9.437 8.035 1.00 0.00 N ATOM 0 H ASN D 80 -3.348 -9.386 3.979 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.777 -9.801 5.125 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.499 -11.056 5.599 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.084 -11.419 6.566 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -2.442 -8.633 8.649 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -1.785 -10.247 8.360 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.025 -12.173 3.212 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.622 -13.359 2.464 1.00 0.00 C ATOM 1213 C LYS D 81 -0.608 -13.020 1.375 1.00 0.00 C ATOM 1214 O LYS D 81 0.483 -13.586 1.359 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.812 -14.129 1.875 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.883 -13.274 1.234 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.916 -12.834 2.253 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.602 -14.014 2.926 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.327 -14.871 1.950 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.963 -11.831 3.004 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.143 -14.019 3.187 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.437 -14.831 1.130 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.269 -14.721 2.668 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.426 -12.398 0.774 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.371 -13.835 0.437 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.435 -12.216 3.011 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.665 -12.212 1.763 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -4.859 -14.613 3.452 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.303 -13.646 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.889 -15.581 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.959 -14.281 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.641 -15.351 1.333 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.943 -12.066 0.500 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.033 -11.622 -0.550 1.00 0.00 C ATOM 1235 C LEU D 82 1.371 -11.348 -0.025 1.00 0.00 C ATOM 1236 O LEU D 82 2.353 -11.660 -0.700 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.597 -10.389 -1.220 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.646 -10.670 -2.292 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.998 -11.294 -3.517 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.762 -11.571 -1.794 1.00 0.00 C ATOM 0 H LEU D 82 -1.844 -11.587 0.502 1.00 0.00 H new ATOM 0 HA LEU D 82 0.055 -12.430 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -1.039 -9.748 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.223 -9.830 -1.671 1.00 0.00 H new ATOM 0 HG LEU D 82 -2.090 -9.710 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.760 -11.488 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.252 -10.611 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.517 -12.231 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.480 -11.738 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.344 -12.526 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.264 -11.096 -0.951 1.00 0.00 H new ATOM 1252 N ASN D 83 1.442 -10.870 1.225 1.00 0.00 N ATOM 1253 CA ASN D 83 2.710 -10.654 1.932 1.00 0.00 C ATOM 1254 C ASN D 83 3.751 -10.032 1.004 1.00 0.00 C ATOM 1255 O ASN D 83 4.703 -10.692 0.593 1.00 0.00 O ATOM 1256 CB ASN D 83 3.216 -11.991 2.495 1.00 0.00 C ATOM 1257 CG ASN D 83 4.458 -11.880 3.369 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.931 -10.666 3.617 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 4.977 -12.892 3.837 1.00 0.00 N flip ATOM 0 H ASN D 83 0.619 -10.622 1.775 1.00 0.00 H new ATOM 0 HA ASN D 83 2.542 -9.959 2.755 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.418 -12.451 3.077 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.431 -12.662 1.664 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.586 -13.810 3.625 1.00 0.00 H new ATOM 0 HD22 ASN D 83 5.798 -12.813 4.437 1.00 0.00 H new ATOM 1266 N ILE D 84 3.514 -8.794 0.593 1.00 0.00 N ATOM 1267 CA ILE D 84 4.389 -8.156 -0.374 1.00 0.00 C ATOM 1268 C ILE D 84 5.448 -7.312 0.317 1.00 0.00 C ATOM 1269 O ILE D 84 5.184 -6.185 0.733 1.00 0.00 O ATOM 1270 CB ILE D 84 3.592 -7.286 -1.367 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.490 -8.106 -2.045 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.520 -6.703 -2.421 1.00 0.00 C ATOM 1273 CD1 ILE D 84 3.015 -9.266 -2.864 1.00 0.00 C ATOM 0 H ILE D 84 2.733 -8.220 0.910 1.00 0.00 H new ATOM 0 HA ILE D 84 4.884 -8.951 -0.932 1.00 0.00 H new ATOM 0 HB ILE D 84 3.129 -6.473 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.812 -8.488 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.906 -7.450 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.944 -6.091 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.278 -6.087 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.004 -7.512 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE D 84 2.179 -9.801 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.670 -8.890 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.574 -9.943 -2.219 1.00 0.00 H new ATOM 1285 N LYS D 85 6.646 -7.868 0.459 1.00 0.00 N ATOM 1286 CA LYS D 85 7.721 -7.167 1.128 1.00 0.00 C ATOM 1287 C LYS D 85 9.048 -7.396 0.409 1.00 0.00 C ATOM 1288 O LYS D 85 9.766 -8.357 0.687 1.00 0.00 O ATOM 1289 CB LYS D 85 7.808 -7.640 2.577 1.00 0.00 C ATOM 1290 CG LYS D 85 8.712 -6.795 3.443 1.00 0.00 C ATOM 1291 CD LYS D 85 8.322 -5.332 3.369 1.00 0.00 C ATOM 1292 CE LYS D 85 9.285 -4.466 4.164 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.942 -3.022 4.088 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.891 -8.798 0.119 1.00 0.00 H new ATOM 0 HA LYS D 85 7.513 -6.097 1.110 1.00 0.00 H new ATOM 0 HB2 LYS D 85 6.807 -7.644 3.009 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.165 -8.670 2.592 1.00 0.00 H new ATOM 0 HG2 LYS D 85 8.657 -7.138 4.476 1.00 0.00 H new ATOM 0 HG3 LYS D 85 9.747 -6.916 3.122 1.00 0.00 H new ATOM 0 HD2 LYS D 85 8.312 -5.008 2.328 1.00 0.00 H new ATOM 0 HD3 LYS D 85 7.310 -5.203 3.753 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.279 -4.784 5.207 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.298 -4.616 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 9.805 -2.454 4.206 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 8.515 -2.815 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.266 -2.786 4.842 1.00 0.00 H new ATOM 1307 N GLY D 86 9.379 -6.467 -0.474 1.00 0.00 N ATOM 1308 CA GLY D 86 10.635 -6.506 -1.204 1.00 0.00 C ATOM 1309 C GLY D 86 10.728 -7.609 -2.217 1.00 0.00 C ATOM 1310 O GLY D 86 9.963 -8.576 -2.196 1.00 0.00 O ATOM 0 H GLY D 86 8.787 -5.669 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.777 -5.551 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.453 -6.614 -0.491 1.00 0.00 H new ATOM 1314 N PRO D 87 11.672 -7.462 -3.146 1.00 0.00 N ATOM 1315 CA PRO D 87 12.582 -6.299 -3.166 1.00 0.00 C ATOM 1316 C PRO D 87 11.940 -5.004 -3.712 1.00 0.00 C ATOM 1317 O PRO D 87 10.725 -4.940 -3.844 1.00 0.00 O ATOM 1318 CB PRO D 87 13.717 -6.794 -4.049 1.00 0.00 C ATOM 1319 CG PRO D 87 13.116 -7.806 -4.964 1.00 0.00 C ATOM 1320 CD PRO D 87 11.948 -8.421 -4.230 1.00 0.00 C ATOM 0 HA PRO D 87 12.892 -6.000 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.159 -5.973 -4.613 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.514 -7.235 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.787 -7.340 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.848 -8.568 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.085 -8.545 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.196 -9.408 -3.838 1.00 0.00 H new ATOM 1328 N TYR D 88 12.777 -3.957 -3.905 1.00 0.00 N ATOM 1329 CA TYR D 88 12.366 -2.586 -4.320 1.00 0.00 C ATOM 1330 C TYR D 88 10.901 -2.460 -4.748 1.00 0.00 C ATOM 1331 O TYR D 88 10.565 -2.691 -5.909 1.00 0.00 O ATOM 1332 CB TYR D 88 13.251 -2.090 -5.474 1.00 0.00 C ATOM 1333 CG TYR D 88 14.722 -1.958 -5.130 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.363 -0.729 -5.227 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.475 -3.056 -4.731 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.706 -0.599 -4.934 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.816 -2.932 -4.434 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.427 -1.703 -4.536 1.00 0.00 C ATOM 1339 OH TYR D 88 18.766 -1.577 -4.248 1.00 0.00 O ATOM 0 H TYR D 88 13.785 -4.041 -3.774 1.00 0.00 H new ATOM 0 HA TYR D 88 12.491 -1.974 -3.427 1.00 0.00 H new ATOM 0 HB2 TYR D 88 13.148 -2.777 -6.314 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.881 -1.120 -5.807 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.801 0.140 -5.537 1.00 0.00 H new ATOM 0 HD2 TYR D 88 15.002 -4.023 -4.652 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.189 0.364 -5.016 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.384 -3.796 -4.123 1.00 0.00 H new ATOM 0 HH TYR D 88 19.127 -2.448 -3.982 1.00 0.00 H new ATOM 1349 N ILE D 89 10.044 -2.079 -3.807 1.00 0.00 N ATOM 1350 CA ILE D 89 8.616 -1.919 -4.072 1.00 0.00 C ATOM 1351 C ILE D 89 8.213 -0.459 -4.236 1.00 0.00 C ATOM 1352 O ILE D 89 8.592 0.397 -3.434 1.00 0.00 O ATOM 1353 CB ILE D 89 7.782 -2.533 -2.932 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.012 -4.046 -2.846 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.310 -2.259 -3.145 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.235 -4.687 -1.725 1.00 0.00 C ATOM 0 H ILE D 89 10.315 -1.873 -2.845 1.00 0.00 H new ATOM 0 HA ILE D 89 8.419 -2.438 -5.010 1.00 0.00 H new ATOM 0 HB ILE D 89 8.101 -2.072 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.727 -4.508 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.075 -4.241 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.736 -2.700 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.140 -1.183 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE D 89 5.992 -2.697 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE D 89 7.435 -5.758 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE D 89 7.538 -4.248 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.169 -4.519 -1.879 1.00 0.00 H new ATOM 1368 N GLU D 90 7.292 -0.228 -5.168 1.00 0.00 N ATOM 1369 CA GLU D 90 6.654 1.067 -5.314 1.00 0.00 C ATOM 1370 C GLU D 90 5.161 0.935 -5.029 1.00 0.00 C ATOM 1371 O GLU D 90 4.385 0.538 -5.895 1.00 0.00 O ATOM 1372 CB GLU D 90 6.853 1.622 -6.721 1.00 0.00 C ATOM 1373 CG GLU D 90 8.305 1.685 -7.151 1.00 0.00 C ATOM 1374 CD GLU D 90 8.459 2.223 -8.547 1.00 0.00 C ATOM 1375 OE1 GLU D 90 7.895 1.623 -9.478 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.142 3.249 -8.715 1.00 0.00 O1- ATOM 0 H GLU D 90 6.973 -0.930 -5.836 1.00 0.00 H new ATOM 0 HA GLU D 90 7.111 1.756 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.300 1.003 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.425 2.623 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.861 2.315 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.742 0.688 -7.097 1.00 0.00 H new ATOM 1383 N ILE D 91 4.776 1.282 -3.822 1.00 0.00 N ATOM 1384 CA ILE D 91 3.391 1.236 -3.396 1.00 0.00 C ATOM 1385 C ILE D 91 2.764 2.617 -3.601 1.00 0.00 C ATOM 1386 O ILE D 91 2.969 3.526 -2.794 1.00 0.00 O ATOM 1387 CB ILE D 91 3.317 0.803 -1.902 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.879 -0.604 -1.726 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.914 0.857 -1.331 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.707 -1.149 -0.324 1.00 0.00 C ATOM 0 H ILE D 91 5.419 1.607 -3.100 1.00 0.00 H new ATOM 0 HA ILE D 91 2.837 0.507 -3.987 1.00 0.00 H new ATOM 0 HB ILE D 91 3.920 1.523 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.388 -1.274 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.939 -0.598 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.934 0.543 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.534 1.876 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.264 0.190 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.129 -2.153 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.222 -0.500 0.384 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.646 -1.187 -0.076 1.00 0.00 H new ATOM 1402 N LYS D 92 2.006 2.780 -4.696 1.00 0.00 N ATOM 1403 CA LYS D 92 1.370 4.061 -4.996 1.00 0.00 C ATOM 1404 C LYS D 92 0.206 3.859 -5.962 1.00 0.00 C ATOM 1405 O LYS D 92 0.111 2.818 -6.618 1.00 0.00 O ATOM 1406 CB LYS D 92 2.382 5.064 -5.588 1.00 0.00 C ATOM 1407 CG LYS D 92 2.398 5.157 -7.115 1.00 0.00 C ATOM 1408 CD LYS D 92 2.824 3.881 -7.833 1.00 0.00 C ATOM 1409 CE LYS D 92 2.645 4.060 -9.341 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.464 3.127 -10.156 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.823 2.045 -5.379 1.00 0.00 H new ATOM 0 HA LYS D 92 0.992 4.475 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.167 6.053 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.381 4.790 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.401 5.433 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.071 5.963 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.865 3.653 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.228 3.038 -7.483 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.594 3.920 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.903 5.085 -9.609 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.397 3.392 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.456 3.178 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.112 2.156 -10.031 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.631 4.881 -6.112 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.713 4.811 -7.074 1.00 0.00 C ATOM 1426 C GLN D 93 -1.209 5.108 -8.467 1.00 0.00 C ATOM 1427 O GLN D 93 -0.074 5.535 -8.662 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.872 5.735 -6.751 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.581 7.211 -6.913 1.00 0.00 C ATOM 1430 CD GLN D 93 -1.668 7.808 -5.852 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -0.485 7.480 -5.759 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -2.223 8.688 -5.034 1.00 0.00 N ATOM 0 H GLN D 93 -0.579 5.753 -5.586 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.091 3.790 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.714 5.474 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.186 5.553 -5.723 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -2.129 7.371 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -3.526 7.755 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.207 8.935 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -1.667 9.119 -4.296 1.00 0.00 H new ATOM 1441 N ILE D 94 -2.005 4.737 -9.435 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.599 4.792 -10.819 1.00 0.00 C ATOM 1443 C ILE D 94 -2.612 5.543 -11.670 1.00 0.00 C ATOM 1444 O ILE D 94 -2.246 5.978 -12.777 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.426 3.366 -11.330 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.679 2.573 -11.003 1.00 0.00 C ATOM 1447 CG2 ILE D 94 -0.208 2.716 -10.706 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.601 1.114 -11.353 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.760 5.701 -11.218 1.00 0.00 O ATOM 0 H ILE D 94 -2.952 4.388 -9.289 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.656 5.334 -10.892 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.275 3.384 -12.409 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.886 2.668 -9.937 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.523 3.016 -11.532 1.00 0.00 H new ATOM 0 HG21 ILE D 94 -0.104 1.699 -11.085 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.682 3.291 -10.961 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.325 2.689 -9.623 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.538 0.625 -11.086 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.428 1.005 -12.424 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.781 0.651 -10.804 1.00 0.00 H new