USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 71 THR OG1 : rot 28:sc= 0.567 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.278 K(o=0.85,f=0.15) USER MOD Set 2.1: D 53 ASN :FLIP amide:sc= -0.0296 F(o=-2.8!,f=-0.29) USER MOD Set 2.2: D 67 ASN : amide:sc= -0.265 K(o=-0.29,f=-3.2!) USER MOD Single : D 14 ASN :FLIP amide:sc= -0.0188 F(o=-1.9,f=-0.019) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 17 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : D 19 LYS NZ :NH3+ 163:sc=-0.00242 (180deg=-0.285) USER MOD Single : D 21 ASN : amide:sc= -0.745 K(o=-0.75,f=-1.3) USER MOD Single : D 22 LYS NZ :NH3+ 127:sc= 1.96 (180deg=0.403) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= -0.0274 USER MOD Single : D 31 MET CE :methyl -159:sc= -0.155 (180deg=-0.682) USER MOD Single : D 32 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.2!) USER MOD Single : D 34 ASN :FLIP amide:sc= -0.0135 F(o=-2.2!,f=-0.014) USER MOD Single : D 35 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.7!) USER MOD Single : D 37 LYS NZ :NH3+ -167:sc= -0.0692 (180deg=-0.292) USER MOD Single : D 39 THR OG1 : rot 148:sc= -3.12! USER MOD Single : D 40 SER OG : rot 35:sc= -3.18! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc=-0.00683 X(o=-0.0068,f=-0.017) 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+ -164:sc= -0.0784 (180deg=-0.382) USER MOD Single : D 59 ASN :FLIP amide:sc= -0.375 F(o=-6.9!,f=-0.38) USER MOD Single : D 62 LYS NZ :NH3+ -140:sc= -2.51! (180deg=-5.14!) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 150:sc= -2.18! USER MOD Single : D 69 LYS NZ :NH3+ 175:sc= 0.667 (180deg=0.653) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 76 SER OG : rot -140:sc= -0.124 USER MOD Single : D 77 ASN :FLIP amide:sc= 0.472 F(o=-0.12,f=0.47) USER MOD Single : D 80 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.015) USER MOD Single : D 81 LYS NZ :NH3+ -175:sc= -0.0043 (180deg=-0.0567) USER MOD Single : D 83 ASN :FLIP amide:sc= -0.0787 F(o=-2.9,f=-0.079) USER MOD Single : D 85 LYS NZ :NH3+ 167:sc= 0.0194 (180deg=0.000683) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -160:sc= -0.0999 (180deg=-0.532) USER MOD Single : D 93 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.0063) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.423 4.791 2.862 1.00 0.00 N ATOM 185 CA ILE D 13 5.633 3.800 3.593 1.00 0.00 C ATOM 186 C ILE D 13 4.769 4.456 4.666 1.00 0.00 C ATOM 187 O ILE D 13 3.840 3.863 5.209 1.00 0.00 O ATOM 188 CB ILE D 13 6.597 2.778 4.207 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.389 2.131 3.089 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.875 1.724 5.037 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.396 1.110 3.570 1.00 0.00 C ATOM 0 HA ILE D 13 4.949 3.300 2.907 1.00 0.00 H new ATOM 0 HB ILE D 13 7.266 3.300 4.892 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.698 1.649 2.398 1.00 0.00 H new ATOM 0 HG13 ILE D 13 7.911 2.907 2.529 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.602 1.025 5.449 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.336 2.208 5.851 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.170 1.184 4.405 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.925 0.689 2.715 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.111 1.591 4.238 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.879 0.313 4.105 1.00 0.00 H new ATOM 203 N ASN D 14 5.000 5.725 4.849 1.00 0.00 N ATOM 204 CA ASN D 14 4.154 6.550 5.712 1.00 0.00 C ATOM 205 C ASN D 14 3.101 7.277 4.874 1.00 0.00 C ATOM 206 O ASN D 14 1.923 7.331 5.236 1.00 0.00 O ATOM 207 CB ASN D 14 4.982 7.580 6.488 1.00 0.00 C ATOM 208 CG ASN D 14 5.983 6.961 7.449 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.987 5.639 7.555 1.00 0.00 O flip ATOM 210 ND2 ASN D 14 6.744 7.674 8.098 1.00 0.00 N flip ATOM 0 H ASN D 14 5.772 6.229 4.414 1.00 0.00 H new ATOM 0 HA ASN D 14 3.666 5.888 6.428 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.516 8.212 5.779 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.307 8.228 7.048 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.711 8.688 7.989 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.409 7.252 8.746 1.00 0.00 H new ATOM 217 N SER D 15 3.544 7.856 3.757 1.00 0.00 N ATOM 218 CA SER D 15 2.669 8.604 2.871 1.00 0.00 C ATOM 219 C SER D 15 1.642 7.685 2.223 1.00 0.00 C ATOM 220 O SER D 15 0.566 8.123 1.838 1.00 0.00 O ATOM 221 CB SER D 15 3.459 9.316 1.781 1.00 0.00 C ATOM 222 OG SER D 15 4.440 10.178 2.332 1.00 0.00 O ATOM 0 H SER D 15 4.515 7.817 3.448 1.00 0.00 H new ATOM 0 HA SER D 15 2.157 9.350 3.480 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.940 8.579 1.138 1.00 0.00 H new ATOM 0 HB3 SER D 15 2.778 9.891 1.153 1.00 0.00 H new ATOM 0 HG SER D 15 4.932 10.619 1.608 1.00 0.00 H new ATOM 228 N VAL D 16 1.981 6.405 2.110 1.00 0.00 N ATOM 229 CA VAL D 16 1.081 5.414 1.527 1.00 0.00 C ATOM 230 C VAL D 16 -0.220 5.353 2.306 1.00 0.00 C ATOM 231 O VAL D 16 -1.293 5.194 1.734 1.00 0.00 O ATOM 232 CB VAL D 16 1.730 4.011 1.533 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.098 3.585 2.934 1.00 0.00 C ATOM 234 CG2 VAL D 16 0.799 2.983 0.926 1.00 0.00 C ATOM 0 H VAL D 16 2.878 6.027 2.416 1.00 0.00 H new ATOM 0 HA VAL D 16 0.880 5.716 0.499 1.00 0.00 H new ATOM 0 HB VAL D 16 2.638 4.072 0.933 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.552 2.595 2.906 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.807 4.297 3.357 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.201 3.555 3.553 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.278 2.004 0.942 1.00 0.00 H new ATOM 0 HG22 VAL D 16 -0.125 2.944 1.502 1.00 0.00 H new ATOM 0 HG23 VAL D 16 0.573 3.260 -0.104 1.00 0.00 H new ATOM 244 N ASN D 17 -0.115 5.568 3.602 1.00 0.00 N ATOM 245 CA ASN D 17 -1.281 5.616 4.459 1.00 0.00 C ATOM 246 C ASN D 17 -2.103 6.819 4.090 1.00 0.00 C ATOM 247 O ASN D 17 -3.301 6.735 3.949 1.00 0.00 O ATOM 248 CB ASN D 17 -0.895 5.700 5.939 1.00 0.00 C ATOM 249 CG ASN D 17 -0.132 4.491 6.437 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.937 4.162 5.931 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.673 3.830 7.449 1.00 0.00 N ATOM 0 H ASN D 17 0.771 5.713 4.086 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.851 4.698 4.315 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.289 6.592 6.098 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.800 5.819 6.535 1.00 0.00 H new ATOM 0 HD21 ASN D 17 -0.199 3.014 7.837 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -1.563 4.137 7.841 1.00 0.00 H new ATOM 258 N ASP D 18 -1.424 7.918 3.840 1.00 0.00 N ATOM 259 CA ASP D 18 -2.056 9.139 3.383 1.00 0.00 C ATOM 260 C ASP D 18 -2.802 8.964 2.054 1.00 0.00 C ATOM 261 O ASP D 18 -3.660 9.777 1.705 1.00 0.00 O ATOM 262 CB ASP D 18 -0.990 10.220 3.251 1.00 0.00 C ATOM 263 CG ASP D 18 -0.474 10.694 4.589 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.073 9.868 5.347 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.629 11.892 4.894 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.412 7.991 3.948 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.807 9.425 4.120 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.158 9.835 2.661 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.403 11.068 2.704 1.00 0.00 H new ATOM 270 N LYS D 19 -2.543 7.858 1.369 1.00 0.00 N ATOM 271 CA LYS D 19 -3.257 7.519 0.147 1.00 0.00 C ATOM 272 C LYS D 19 -4.474 6.688 0.477 1.00 0.00 C ATOM 273 O LYS D 19 -5.522 6.788 -0.159 1.00 0.00 O ATOM 274 CB LYS D 19 -2.356 6.697 -0.785 1.00 0.00 C ATOM 275 CG LYS D 19 -1.770 7.456 -1.959 1.00 0.00 C ATOM 276 CD LYS D 19 -0.636 8.372 -1.556 1.00 0.00 C ATOM 277 CE LYS D 19 0.573 7.596 -1.062 1.00 0.00 C ATOM 278 NZ LYS D 19 1.767 8.471 -0.945 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.837 7.175 1.643 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.552 8.446 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -1.537 6.282 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.932 5.855 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.410 6.745 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -2.555 8.044 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.348 8.989 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.977 9.049 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS D 19 0.350 7.150 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS D 19 0.786 6.776 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.481 8.006 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 2.165 8.644 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.493 9.377 -0.514 1.00 0.00 H new ATOM 292 N LEU D 20 -4.220 5.739 1.345 1.00 0.00 N ATOM 293 CA LEU D 20 -5.146 4.679 1.667 1.00 0.00 C ATOM 294 C LEU D 20 -6.121 5.093 2.750 1.00 0.00 C ATOM 295 O LEU D 20 -7.084 4.387 3.036 1.00 0.00 O ATOM 296 CB LEU D 20 -4.315 3.523 2.173 1.00 0.00 C ATOM 297 CG LEU D 20 -3.216 3.070 1.216 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.422 1.928 1.809 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.798 2.672 -0.129 1.00 0.00 C ATOM 0 H LEU D 20 -3.342 5.681 1.860 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.731 4.420 0.784 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.860 3.807 3.122 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.974 2.679 2.376 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.541 3.911 1.060 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.645 1.623 1.108 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.962 2.251 2.743 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.086 1.086 2.004 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.995 2.353 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.503 1.852 0.008 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.315 3.525 -0.569 1.00 0.00 H new ATOM 311 N ASN D 21 -5.753 6.125 3.473 1.00 0.00 N ATOM 312 CA ASN D 21 -6.460 6.508 4.674 1.00 0.00 C ATOM 313 C ASN D 21 -7.274 7.767 4.388 1.00 0.00 C ATOM 314 O ASN D 21 -6.691 8.835 4.220 1.00 0.00 O ATOM 315 CB ASN D 21 -5.419 6.781 5.764 1.00 0.00 C ATOM 316 CG ASN D 21 -5.852 6.342 7.140 1.00 0.00 C ATOM 317 OD1 ASN D 21 -6.818 6.854 7.703 1.00 0.00 O ATOM 318 ND2 ASN D 21 -5.132 5.357 7.671 1.00 0.00 N ATOM 0 H ASN D 21 -4.957 6.722 3.247 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.138 5.720 5.001 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.492 6.270 5.504 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.200 7.848 5.785 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -5.372 4.989 8.591 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -4.340 4.970 7.158 1.00 0.00 H new ATOM 325 N LYS D 22 -8.576 7.631 4.112 1.00 0.00 N ATOM 326 CA LYS D 22 -9.312 8.795 3.595 1.00 0.00 C ATOM 327 C LYS D 22 -10.472 9.216 4.491 1.00 0.00 C ATOM 328 O LYS D 22 -10.713 10.410 4.668 1.00 0.00 O ATOM 329 CB LYS D 22 -9.863 8.552 2.177 1.00 0.00 C ATOM 330 CG LYS D 22 -8.830 8.136 1.126 1.00 0.00 C ATOM 331 CD LYS D 22 -8.422 6.682 1.274 1.00 0.00 C ATOM 332 CE LYS D 22 -9.611 5.747 1.138 1.00 0.00 C ATOM 333 NZ LYS D 22 -9.237 4.331 1.381 1.00 0.00 N1+ ATOM 0 H LYS D 22 -9.120 6.776 4.229 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.575 9.598 3.573 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.629 7.779 2.232 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.354 9.464 1.837 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -9.241 8.297 0.130 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.948 8.771 1.213 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.677 6.435 0.518 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -7.952 6.533 2.246 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -10.387 6.043 1.844 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -10.035 5.843 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -9.865 3.925 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -9.331 3.791 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.252 4.284 1.713 1.00 0.00 H new ATOM 347 N GLY D 23 -11.234 8.255 4.988 1.00 0.00 N ATOM 348 CA GLY D 23 -12.395 8.585 5.767 1.00 0.00 C ATOM 349 C GLY D 23 -13.339 7.416 5.926 1.00 0.00 C ATOM 350 O GLY D 23 -13.354 6.782 6.979 1.00 0.00 O ATOM 0 H GLY D 23 -11.065 7.257 4.863 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.081 8.930 6.752 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.923 9.412 5.293 1.00 0.00 H new ATOM 354 N LYS D 24 -14.094 7.105 4.862 1.00 0.00 N ATOM 355 CA LYS D 24 -15.016 5.964 4.864 1.00 0.00 C ATOM 356 C LYS D 24 -14.260 4.726 5.300 1.00 0.00 C ATOM 357 O LYS D 24 -14.508 4.162 6.363 1.00 0.00 O ATOM 358 CB LYS D 24 -15.581 5.730 3.457 1.00 0.00 C ATOM 359 CG LYS D 24 -16.750 4.756 3.395 1.00 0.00 C ATOM 360 CD LYS D 24 -17.959 5.304 4.138 1.00 0.00 C ATOM 361 CE LYS D 24 -19.193 4.444 3.915 1.00 0.00 C ATOM 362 NZ LYS D 24 -20.358 4.933 4.697 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.083 7.630 3.988 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.839 6.172 5.548 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.901 6.687 3.045 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.781 5.358 2.816 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -17.014 4.566 2.355 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.455 3.801 3.829 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.739 5.355 5.204 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.160 6.322 3.805 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.444 4.438 2.854 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -18.973 3.414 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -21.179 4.320 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -20.128 4.915 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.584 5.907 4.411 1.00 0.00 H new ATOM 376 N GLY D 25 -13.259 4.394 4.512 1.00 0.00 N ATOM 377 CA GLY D 25 -12.365 3.328 4.844 1.00 0.00 C ATOM 378 C GLY D 25 -10.951 3.703 4.540 1.00 0.00 C ATOM 379 O GLY D 25 -10.688 4.722 3.897 1.00 0.00 O ATOM 0 H GLY D 25 -13.051 4.859 3.629 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.461 3.084 5.902 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.636 2.433 4.284 1.00 0.00 H new ATOM 383 N LYS D 26 -10.061 3.025 5.204 1.00 0.00 N ATOM 384 CA LYS D 26 -8.681 3.413 5.236 1.00 0.00 C ATOM 385 C LYS D 26 -7.791 2.210 5.376 1.00 0.00 C ATOM 386 O LYS D 26 -8.259 1.127 5.717 1.00 0.00 O ATOM 387 CB LYS D 26 -8.508 4.349 6.385 1.00 0.00 C ATOM 388 CG LYS D 26 -9.380 3.936 7.525 1.00 0.00 C ATOM 389 CD LYS D 26 -9.488 5.035 8.555 1.00 0.00 C ATOM 390 CE LYS D 26 -10.040 6.296 7.916 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.270 7.375 8.910 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.273 2.184 5.741 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.399 3.904 4.305 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.465 4.359 6.701 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.757 5.364 6.077 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.373 3.683 7.154 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.975 3.037 7.989 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.137 4.717 9.371 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.508 5.236 8.988 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.345 6.649 7.154 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.977 6.064 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.647 8.216 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.953 7.050 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.371 7.616 9.375 1.00 0.00 H new ATOM 405 N LEU D 27 -6.531 2.381 5.058 1.00 0.00 N ATOM 406 CA LEU D 27 -5.605 1.284 5.097 1.00 0.00 C ATOM 407 C LEU D 27 -4.280 1.694 5.737 1.00 0.00 C ATOM 408 O LEU D 27 -3.782 2.802 5.523 1.00 0.00 O ATOM 409 CB LEU D 27 -5.418 0.754 3.695 1.00 0.00 C ATOM 410 CG LEU D 27 -4.399 -0.363 3.537 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.772 -1.565 4.388 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.288 -0.765 2.077 1.00 0.00 C ATOM 0 H LEU D 27 -6.126 3.272 4.769 1.00 0.00 H new ATOM 0 HA LEU D 27 -6.009 0.489 5.723 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.381 0.395 3.332 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.123 1.582 3.051 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.432 0.006 3.878 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -4.027 -2.349 4.256 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.808 -1.271 5.437 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.749 -1.938 4.082 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.556 -1.566 1.975 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -5.258 -1.113 1.721 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.971 0.094 1.486 1.00 0.00 H new ATOM 424 N SER D 28 -3.779 0.817 6.587 1.00 0.00 N ATOM 425 CA SER D 28 -2.578 1.047 7.367 1.00 0.00 C ATOM 426 C SER D 28 -1.588 -0.073 7.107 1.00 0.00 C ATOM 427 O SER D 28 -2.003 -1.212 6.902 1.00 0.00 O ATOM 428 CB SER D 28 -2.940 1.048 8.847 1.00 0.00 C ATOM 429 OG SER D 28 -3.880 2.068 9.152 1.00 0.00 O ATOM 0 H SER D 28 -4.205 -0.094 6.758 1.00 0.00 H new ATOM 0 HA SER D 28 -2.137 2.004 7.087 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.353 0.077 9.122 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.039 1.192 9.443 1.00 0.00 H new ATOM 0 HG SER D 28 -4.093 2.041 10.108 1.00 0.00 H new ATOM 435 N LEU D 29 -0.298 0.230 7.038 1.00 0.00 N ATOM 436 CA LEU D 29 0.663 -0.807 6.709 1.00 0.00 C ATOM 437 C LEU D 29 1.953 -0.668 7.509 1.00 0.00 C ATOM 438 O LEU D 29 2.407 0.437 7.800 1.00 0.00 O ATOM 439 CB LEU D 29 0.982 -0.797 5.213 1.00 0.00 C ATOM 440 CG LEU D 29 -0.151 -0.300 4.307 1.00 0.00 C ATOM 441 CD1 LEU D 29 -0.128 1.216 4.207 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.072 -0.941 2.931 1.00 0.00 C ATOM 0 H LEU D 29 0.096 1.157 7.200 1.00 0.00 H new ATOM 0 HA LEU D 29 0.203 -1.759 6.974 1.00 0.00 H new ATOM 0 HB2 LEU D 29 1.858 -0.170 5.049 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.252 -1.808 4.909 1.00 0.00 H new ATOM 0 HG LEU D 29 -1.100 -0.597 4.755 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.939 1.550 3.560 1.00 0.00 H new ATOM 0 HD12 LEU D 29 -0.254 1.648 5.200 1.00 0.00 H new ATOM 0 HD13 LEU D 29 0.826 1.539 3.789 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.887 -0.570 2.310 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.881 -0.689 2.467 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.153 -2.024 3.029 1.00 0.00 H new ATOM 454 N SER D 30 2.566 -1.807 7.794 1.00 0.00 N ATOM 455 CA SER D 30 3.848 -1.869 8.486 1.00 0.00 C ATOM 456 C SER D 30 4.556 -3.167 8.104 1.00 0.00 C ATOM 457 O SER D 30 4.079 -3.899 7.236 1.00 0.00 O ATOM 458 CB SER D 30 3.648 -1.800 10.004 1.00 0.00 C ATOM 459 OG SER D 30 2.979 -0.604 10.381 1.00 0.00 O ATOM 0 H SER D 30 2.186 -2.722 7.550 1.00 0.00 H new ATOM 0 HA SER D 30 4.459 -1.016 8.189 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.071 -2.663 10.337 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.615 -1.851 10.504 1.00 0.00 H new ATOM 0 HG SER D 30 2.863 -0.587 11.354 1.00 0.00 H new ATOM 465 N MET D 31 5.685 -3.457 8.736 1.00 0.00 N ATOM 466 CA MET D 31 6.431 -4.674 8.429 1.00 0.00 C ATOM 467 C MET D 31 7.099 -5.235 9.669 1.00 0.00 C ATOM 468 O MET D 31 7.280 -4.539 10.668 1.00 0.00 O ATOM 469 CB MET D 31 7.475 -4.403 7.342 1.00 0.00 C ATOM 470 CG MET D 31 8.483 -3.322 7.712 1.00 0.00 C ATOM 471 SD MET D 31 9.666 -2.991 6.393 1.00 0.00 S ATOM 472 CE MET D 31 10.430 -4.600 6.203 1.00 0.00 C ATOM 0 H MET D 31 6.104 -2.872 9.459 1.00 0.00 H new ATOM 0 HA MET D 31 5.723 -5.416 8.060 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.011 -5.328 7.127 1.00 0.00 H new ATOM 0 HB3 MET D 31 6.963 -4.111 6.425 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.950 -2.403 7.956 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.022 -3.626 8.610 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.400 -4.487 5.720 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.564 -5.057 7.183 1.00 0.00 H new ATOM 0 HE3 MET D 31 9.791 -5.236 5.590 1.00 0.00 H new ATOM 482 N ASN D 32 7.492 -6.493 9.577 1.00 0.00 N ATOM 483 CA ASN D 32 8.177 -7.172 10.665 1.00 0.00 C ATOM 484 C ASN D 32 9.256 -8.075 10.086 1.00 0.00 C ATOM 485 O ASN D 32 8.990 -9.227 9.747 1.00 0.00 O ATOM 486 CB ASN D 32 7.176 -8.003 11.485 1.00 0.00 C ATOM 487 CG ASN D 32 7.794 -8.622 12.729 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.738 -9.412 12.652 1.00 0.00 O ATOM 489 ND2 ASN D 32 7.263 -8.270 13.888 1.00 0.00 N ATOM 0 H ASN D 32 7.347 -7.072 8.750 1.00 0.00 H new ATOM 0 HA ASN D 32 8.634 -6.434 11.324 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.340 -7.368 11.779 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.769 -8.795 10.856 1.00 0.00 H new ATOM 0 HD21 ASN D 32 7.634 -8.655 14.757 1.00 0.00 H new ATOM 0 HD22 ASN D 32 6.483 -7.614 13.913 1.00 0.00 H new ATOM 496 N GLY D 33 10.449 -7.528 9.898 1.00 0.00 N ATOM 497 CA GLY D 33 11.517 -8.294 9.269 1.00 0.00 C ATOM 498 C GLY D 33 11.232 -8.562 7.804 1.00 0.00 C ATOM 499 O GLY D 33 11.423 -7.691 6.957 1.00 0.00 O ATOM 0 H GLY D 33 10.700 -6.576 10.166 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.457 -7.751 9.363 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.642 -9.241 9.794 1.00 0.00 H new ATOM 503 N ASN D 34 10.725 -9.755 7.513 1.00 0.00 N ATOM 504 CA ASN D 34 10.349 -10.126 6.148 1.00 0.00 C ATOM 505 C ASN D 34 8.831 -10.100 5.990 1.00 0.00 C ATOM 506 O ASN D 34 8.297 -10.520 4.963 1.00 0.00 O ATOM 507 CB ASN D 34 10.872 -11.527 5.797 1.00 0.00 C ATOM 508 CG ASN D 34 12.390 -11.628 5.776 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.075 -10.514 5.987 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 12.944 -12.705 5.555 1.00 0.00 N flip ATOM 0 H ASN D 34 10.563 -10.486 8.205 1.00 0.00 H new ATOM 0 HA ASN D 34 10.798 -9.401 5.469 1.00 0.00 H new ATOM 0 HB2 ASN D 34 10.479 -12.243 6.519 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.484 -11.815 4.820 1.00 0.00 H new ATOM 0 HD21 ASN D 34 12.385 -13.543 5.397 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.962 -12.759 5.530 1.00 0.00 H new ATOM 517 N GLN D 35 8.139 -9.703 7.051 1.00 0.00 N ATOM 518 CA GLN D 35 6.682 -9.739 7.065 1.00 0.00 C ATOM 519 C GLN D 35 6.096 -8.420 6.582 1.00 0.00 C ATOM 520 O GLN D 35 6.689 -7.361 6.770 1.00 0.00 O ATOM 521 CB GLN D 35 6.172 -10.015 8.477 1.00 0.00 C ATOM 522 CG GLN D 35 4.693 -10.370 8.549 1.00 0.00 C ATOM 523 CD GLN D 35 4.351 -11.636 7.785 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.548 -11.717 6.571 1.00 0.00 O ATOM 525 NE2 GLN D 35 3.840 -12.633 8.491 1.00 0.00 N ATOM 0 H GLN D 35 8.562 -9.353 7.911 1.00 0.00 H new ATOM 0 HA GLN D 35 6.367 -10.537 6.393 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.751 -10.832 8.907 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.353 -9.136 9.095 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.405 -10.493 9.593 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.106 -9.542 8.151 1.00 0.00 H new ATOM 0 HE21 GLN D 35 3.693 -12.524 9.494 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.593 -13.510 8.031 1.00 0.00 H new ATOM 534 N LEU D 36 4.872 -8.488 6.089 1.00 0.00 N ATOM 535 CA LEU D 36 4.123 -7.302 5.717 1.00 0.00 C ATOM 536 C LEU D 36 2.794 -7.292 6.457 1.00 0.00 C ATOM 537 O LEU D 36 2.225 -8.349 6.738 1.00 0.00 O ATOM 538 CB LEU D 36 3.977 -7.270 4.190 1.00 0.00 C ATOM 539 CG LEU D 36 3.072 -6.193 3.555 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.607 -6.476 3.815 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.423 -4.800 4.055 1.00 0.00 C ATOM 0 H LEU D 36 4.371 -9.363 5.936 1.00 0.00 H new ATOM 0 HA LEU D 36 4.645 -6.391 6.008 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.974 -7.157 3.765 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.604 -8.244 3.873 1.00 0.00 H new ATOM 0 HG LEU D 36 3.249 -6.230 2.480 1.00 0.00 H new ATOM 0 HD11 LEU D 36 0.999 -5.698 3.354 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.342 -7.444 3.389 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.424 -6.490 4.889 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.765 -4.069 3.586 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.298 -4.760 5.137 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.458 -4.572 3.801 1.00 0.00 H new ATOM 553 N LYS D 37 2.423 -6.118 6.951 1.00 0.00 N ATOM 554 CA LYS D 37 1.302 -5.995 7.871 1.00 0.00 C ATOM 555 C LYS D 37 0.353 -4.882 7.424 1.00 0.00 C ATOM 556 O LYS D 37 0.729 -3.716 7.435 1.00 0.00 O ATOM 557 CB LYS D 37 1.861 -5.647 9.256 1.00 0.00 C ATOM 558 CG LYS D 37 3.035 -6.528 9.688 1.00 0.00 C ATOM 559 CD LYS D 37 2.639 -7.976 9.965 1.00 0.00 C ATOM 560 CE LYS D 37 1.704 -8.111 11.162 1.00 0.00 C ATOM 561 NZ LYS D 37 2.309 -7.553 12.404 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.884 -5.236 6.729 1.00 0.00 H new ATOM 0 HA LYS D 37 0.748 -6.933 7.894 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.181 -4.605 9.257 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.062 -5.735 9.992 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.798 -6.511 8.910 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.486 -6.105 10.586 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.154 -8.391 9.082 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.538 -8.567 10.143 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.767 -7.595 10.951 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.461 -9.162 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.751 -7.855 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 3.285 -7.900 12.501 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.314 -6.514 12.351 1.00 0.00 H new ATOM 575 N ALA D 38 -0.880 -5.224 7.071 1.00 0.00 N ATOM 576 CA ALA D 38 -1.857 -4.212 6.677 1.00 0.00 C ATOM 577 C ALA D 38 -3.105 -4.276 7.539 1.00 0.00 C ATOM 578 O ALA D 38 -3.419 -5.311 8.131 1.00 0.00 O ATOM 579 CB ALA D 38 -2.221 -4.365 5.210 1.00 0.00 C ATOM 0 H ALA D 38 -1.226 -6.183 7.049 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.398 -3.235 6.827 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.950 -3.603 4.935 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.326 -4.249 4.599 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.649 -5.353 5.042 1.00 0.00 H new ATOM 585 N THR D 39 -3.786 -3.143 7.623 1.00 0.00 N ATOM 586 CA THR D 39 -4.991 -2.992 8.426 1.00 0.00 C ATOM 587 C THR D 39 -5.920 -1.937 7.823 1.00 0.00 C ATOM 588 O THR D 39 -5.480 -0.860 7.462 1.00 0.00 O ATOM 589 CB THR D 39 -4.603 -2.613 9.862 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.513 -1.708 9.865 1.00 0.00 O ATOM 591 CG2 THR D 39 -4.237 -3.792 10.735 1.00 0.00 C ATOM 0 H THR D 39 -3.515 -2.292 7.130 1.00 0.00 H new ATOM 0 HA THR D 39 -5.529 -3.940 8.438 1.00 0.00 H new ATOM 0 HB THR D 39 -5.499 -2.155 10.282 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.591 -1.104 10.633 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.976 -3.439 11.733 1.00 0.00 H new ATOM 0 HG22 THR D 39 -5.086 -4.473 10.802 1.00 0.00 H new ATOM 0 HG23 THR D 39 -3.385 -4.316 10.301 1.00 0.00 H new ATOM 599 N SER D 40 -7.215 -2.195 7.829 1.00 0.00 N ATOM 600 CA SER D 40 -8.191 -1.201 7.402 1.00 0.00 C ATOM 601 C SER D 40 -8.944 -0.711 8.604 1.00 0.00 C ATOM 602 O SER D 40 -9.430 -1.512 9.406 1.00 0.00 O ATOM 603 CB SER D 40 -9.172 -1.792 6.408 1.00 0.00 C ATOM 604 OG SER D 40 -9.801 -2.950 6.928 1.00 0.00 O ATOM 0 H SER D 40 -7.619 -3.084 8.124 1.00 0.00 H new ATOM 0 HA SER D 40 -7.663 -0.379 6.918 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.928 -1.049 6.155 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.650 -2.043 5.485 1.00 0.00 H new ATOM 0 HG SER D 40 -9.930 -2.846 7.894 1.00 0.00 H new ATOM 610 N SER D 41 -9.106 0.580 8.716 1.00 0.00 N ATOM 611 CA SER D 41 -9.886 1.093 9.819 1.00 0.00 C ATOM 612 C SER D 41 -11.315 1.332 9.353 1.00 0.00 C ATOM 613 O SER D 41 -11.559 1.457 8.144 1.00 0.00 O ATOM 614 CB SER D 41 -9.261 2.354 10.420 1.00 0.00 C ATOM 615 OG SER D 41 -10.001 2.813 11.540 1.00 0.00 O ATOM 0 H SER D 41 -8.723 1.280 8.081 1.00 0.00 H new ATOM 0 HA SER D 41 -9.897 0.353 10.619 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.234 2.146 10.721 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.219 3.138 9.663 1.00 0.00 H new ATOM 0 HG SER D 41 -9.578 3.618 11.904 1.00 0.00 H new ATOM 621 N ASN D 42 -12.252 1.152 10.290 1.00 0.00 N ATOM 622 CA ASN D 42 -13.691 1.087 9.998 1.00 0.00 C ATOM 623 C ASN D 42 -14.056 -0.304 9.483 1.00 0.00 C ATOM 624 O ASN D 42 -15.233 -0.636 9.346 1.00 0.00 O ATOM 625 CB ASN D 42 -14.148 2.176 9.018 1.00 0.00 C ATOM 626 CG ASN D 42 -13.986 3.567 9.599 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.587 3.894 10.622 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.173 4.391 8.957 1.00 0.00 N ATOM 0 H ASN D 42 -12.033 1.046 11.281 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.222 1.275 10.931 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.572 2.099 8.096 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.193 2.012 8.756 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.025 5.338 9.307 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.694 4.079 8.112 1.00 0.00 H new ATOM 635 N ALA D 43 -13.033 -1.158 9.389 1.00 0.00 N ATOM 636 CA ALA D 43 -13.194 -2.588 9.110 1.00 0.00 C ATOM 637 C ALA D 43 -13.983 -2.887 7.830 1.00 0.00 C ATOM 638 O ALA D 43 -14.923 -3.684 7.860 1.00 0.00 O ATOM 639 CB ALA D 43 -13.848 -3.280 10.297 1.00 0.00 C ATOM 0 H ALA D 43 -12.060 -0.874 9.506 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.190 -2.980 8.947 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.964 -4.342 10.081 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.222 -3.156 11.181 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.827 -2.839 10.481 1.00 0.00 H new ATOM 645 N GLY D 44 -13.489 -2.431 6.681 1.00 0.00 N ATOM 646 CA GLY D 44 -14.065 -2.885 5.431 1.00 0.00 C ATOM 647 C GLY D 44 -14.846 -1.833 4.676 1.00 0.00 C ATOM 648 O GLY D 44 -15.791 -2.159 3.964 1.00 0.00 O ATOM 0 H GLY D 44 -12.717 -1.770 6.595 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.264 -3.253 4.790 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.723 -3.730 5.635 1.00 0.00 H new ATOM 652 N TYR D 45 -14.394 -0.594 4.726 1.00 0.00 N ATOM 653 CA TYR D 45 -15.002 0.456 3.923 1.00 0.00 C ATOM 654 C TYR D 45 -14.010 0.928 2.866 1.00 0.00 C ATOM 655 O TYR D 45 -12.799 0.835 3.068 1.00 0.00 O ATOM 656 CB TYR D 45 -15.447 1.634 4.796 1.00 0.00 C ATOM 657 CG TYR D 45 -16.589 1.323 5.761 1.00 0.00 C ATOM 658 CD1 TYR D 45 -16.581 0.169 6.535 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.677 2.186 5.904 1.00 0.00 C ATOM 660 CE1 TYR D 45 -17.609 -0.118 7.408 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.707 1.899 6.779 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.668 0.748 7.527 1.00 0.00 C ATOM 663 OH TYR D 45 -19.692 0.460 8.395 1.00 0.00 O ATOM 0 H TYR D 45 -13.614 -0.289 5.309 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.888 0.050 3.435 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.590 1.985 5.371 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.753 2.454 4.146 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -15.752 -0.518 6.451 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -17.714 3.094 5.320 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -17.581 -1.023 7.997 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -19.541 2.578 6.875 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.361 1.175 8.360 1.00 0.00 H new ATOM 673 N GLY D 46 -14.521 1.431 1.748 1.00 0.00 N ATOM 674 CA GLY D 46 -13.659 1.916 0.677 1.00 0.00 C ATOM 675 C GLY D 46 -13.304 3.370 0.853 1.00 0.00 C ATOM 676 O GLY D 46 -13.279 3.861 1.969 1.00 0.00 O ATOM 0 H GLY D 46 -15.520 1.513 1.560 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.746 1.321 0.649 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.159 1.778 -0.282 1.00 0.00 H new ATOM 680 N ILE D 47 -13.007 4.060 -0.234 1.00 0.00 N ATOM 681 CA ILE D 47 -12.641 5.468 -0.159 1.00 0.00 C ATOM 682 C ILE D 47 -13.768 6.212 0.511 1.00 0.00 C ATOM 683 O ILE D 47 -13.595 6.906 1.515 1.00 0.00 O ATOM 684 CB ILE D 47 -12.511 6.129 -1.539 1.00 0.00 C ATOM 685 CG1 ILE D 47 -11.923 5.222 -2.584 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.720 7.422 -1.457 1.00 0.00 C ATOM 687 CD1 ILE D 47 -12.951 4.308 -3.209 1.00 0.00 C ATOM 0 H ILE D 47 -13.011 3.672 -1.177 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.688 5.512 0.368 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.530 6.353 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.458 5.826 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -11.134 4.620 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.645 7.866 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.226 8.116 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.720 7.213 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -12.470 3.676 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.398 3.681 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -13.728 4.906 -3.686 1.00 0.00 H new ATOM 699 N SER D 48 -14.914 6.048 -0.126 1.00 0.00 N ATOM 700 CA SER D 48 -16.173 6.666 0.258 1.00 0.00 C ATOM 701 C SER D 48 -17.147 6.422 -0.879 1.00 0.00 C ATOM 702 O SER D 48 -18.048 5.588 -0.784 1.00 0.00 O ATOM 703 CB SER D 48 -16.000 8.171 0.487 1.00 0.00 C ATOM 704 OG SER D 48 -17.178 8.745 1.027 1.00 0.00 O ATOM 0 H SER D 48 -14.997 5.460 -0.955 1.00 0.00 H new ATOM 0 HA SER D 48 -16.537 6.238 1.192 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.164 8.345 1.164 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.753 8.659 -0.456 1.00 0.00 H new ATOM 0 HG SER D 48 -17.040 9.705 1.165 1.00 0.00 H new ATOM 710 N TYR D 49 -16.792 6.997 -2.018 1.00 0.00 N ATOM 711 CA TYR D 49 -17.429 6.711 -3.290 1.00 0.00 C ATOM 712 C TYR D 49 -16.567 7.238 -4.423 1.00 0.00 C ATOM 713 O TYR D 49 -16.844 8.286 -5.000 1.00 0.00 O ATOM 714 CB TYR D 49 -18.841 7.301 -3.355 1.00 0.00 C ATOM 715 CG TYR D 49 -19.014 8.662 -2.669 1.00 0.00 C ATOM 716 CD1 TYR D 49 -18.147 9.722 -2.926 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.047 8.884 -1.751 1.00 0.00 C ATOM 718 CE1 TYR D 49 -18.302 10.943 -2.301 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.201 10.103 -1.129 1.00 0.00 C ATOM 720 CZ TYR D 49 -19.328 11.129 -1.405 1.00 0.00 C ATOM 721 OH TYR D 49 -19.483 12.348 -0.786 1.00 0.00 O ATOM 0 H TYR D 49 -16.042 7.685 -2.083 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.528 5.630 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.127 7.401 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.534 6.593 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.338 9.586 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -20.737 8.084 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -17.618 11.751 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.006 10.253 -0.425 1.00 0.00 H new ATOM 0 HH TYR D 49 -20.255 12.313 -0.184 1.00 0.00 H new ATOM 731 N GLU D 50 -15.479 6.535 -4.694 1.00 0.00 N ATOM 732 CA GLU D 50 -14.522 6.976 -5.696 1.00 0.00 C ATOM 733 C GLU D 50 -13.993 5.815 -6.533 1.00 0.00 C ATOM 734 O GLU D 50 -14.548 4.716 -6.517 1.00 0.00 O ATOM 735 CB GLU D 50 -13.336 7.658 -5.028 1.00 0.00 C ATOM 736 CG GLU D 50 -13.658 8.946 -4.305 1.00 0.00 C ATOM 737 CD GLU D 50 -14.192 10.031 -5.212 1.00 0.00 C ATOM 738 OE1 GLU D 50 -13.506 10.372 -6.194 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.273 10.567 -4.922 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.237 5.657 -4.234 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.049 7.671 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -12.891 6.962 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.581 7.865 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.392 8.742 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -12.758 9.309 -3.808 1.00 0.00 H new ATOM 746 N ASP D 51 -12.831 6.048 -7.145 1.00 0.00 N ATOM 747 CA ASP D 51 -12.096 5.015 -7.874 1.00 0.00 C ATOM 748 C ASP D 51 -10.608 5.315 -7.871 1.00 0.00 C ATOM 749 O ASP D 51 -10.170 6.379 -8.309 1.00 0.00 O ATOM 750 CB ASP D 51 -12.648 4.854 -9.300 1.00 0.00 C ATOM 751 CG ASP D 51 -11.770 4.028 -10.226 1.00 0.00 C ATOM 752 OD1 ASP D 51 -10.622 4.436 -10.504 1.00 0.00 O ATOM 753 OD2 ASP D 51 -12.240 2.976 -10.693 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.373 6.959 -7.149 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.238 4.062 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.633 4.390 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.785 5.843 -9.737 1.00 0.00 H new ATOM 758 N LYS D 52 -9.834 4.347 -7.393 1.00 0.00 N ATOM 759 CA LYS D 52 -8.391 4.461 -7.346 1.00 0.00 C ATOM 760 C LYS D 52 -7.768 3.131 -7.696 1.00 0.00 C ATOM 761 O LYS D 52 -7.932 2.157 -6.964 1.00 0.00 O ATOM 762 CB LYS D 52 -7.865 4.900 -5.980 1.00 0.00 C ATOM 763 CG LYS D 52 -8.250 6.309 -5.552 1.00 0.00 C ATOM 764 CD LYS D 52 -9.668 6.401 -5.013 1.00 0.00 C ATOM 765 CE LYS D 52 -10.011 7.847 -4.694 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.015 8.465 -3.775 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.194 3.465 -7.029 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.117 5.231 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.227 4.199 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -6.778 4.826 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.554 6.653 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.147 6.982 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.371 6.005 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -9.765 5.789 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.057 8.422 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.001 7.894 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.411 9.337 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.788 7.798 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.149 8.692 -4.304 1.00 0.00 H new ATOM 780 N ASN D 53 -6.978 3.113 -8.749 1.00 0.00 N ATOM 781 CA ASN D 53 -6.237 1.918 -9.103 1.00 0.00 C ATOM 782 C ASN D 53 -4.865 1.990 -8.480 1.00 0.00 C ATOM 783 O ASN D 53 -4.232 3.046 -8.491 1.00 0.00 O ATOM 784 CB ASN D 53 -6.138 1.745 -10.617 1.00 0.00 C ATOM 785 CG ASN D 53 -7.477 1.441 -11.263 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.549 1.438 -10.476 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.553 1.229 -12.473 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.832 3.907 -9.372 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.769 1.047 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.726 2.654 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.440 0.938 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.710 1.239 -13.046 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.459 1.043 -12.902 1.00 0.00 H new ATOM 794 N TRP D 54 -4.481 0.939 -7.786 1.00 0.00 N ATOM 795 CA TRP D 54 -3.269 0.995 -7.002 1.00 0.00 C ATOM 796 C TRP D 54 -2.198 0.059 -7.492 1.00 0.00 C ATOM 797 O TRP D 54 -2.484 -0.982 -8.088 1.00 0.00 O ATOM 798 CB TRP D 54 -3.540 0.700 -5.545 1.00 0.00 C ATOM 799 CG TRP D 54 -3.294 1.895 -4.714 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.053 3.019 -4.595 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.123 2.113 -3.971 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.408 3.925 -3.784 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.209 3.385 -3.400 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.005 1.335 -3.734 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.194 3.896 -2.607 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.015 1.840 -2.952 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.108 3.115 -2.400 1.00 0.00 C ATOM 0 H TRP D 54 -4.982 0.051 -7.749 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.904 2.016 -7.116 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.572 0.372 -5.422 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.903 -0.119 -5.210 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.013 3.176 -5.064 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.763 4.843 -3.515 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -0.920 0.347 -4.161 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.267 4.881 -2.170 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.861 1.241 -2.755 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.704 3.489 -1.794 1.00 0.00 H new ATOM 818 N GLY D 55 -0.953 0.430 -7.216 1.00 0.00 N ATOM 819 CA GLY D 55 0.148 -0.386 -7.627 1.00 0.00 C ATOM 820 C GLY D 55 1.180 -0.638 -6.549 1.00 0.00 C ATOM 821 O GLY D 55 1.357 0.149 -5.618 1.00 0.00 O ATOM 0 H GLY D 55 -0.698 1.281 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.237 -1.345 -7.975 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.638 0.088 -8.477 1.00 0.00 H new ATOM 825 N ILE D 56 1.888 -1.734 -6.740 1.00 0.00 N ATOM 826 CA ILE D 56 2.984 -2.177 -5.874 1.00 0.00 C ATOM 827 C ILE D 56 4.019 -2.868 -6.755 1.00 0.00 C ATOM 828 O ILE D 56 3.717 -3.878 -7.393 1.00 0.00 O ATOM 829 CB ILE D 56 2.488 -3.182 -4.809 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.343 -2.588 -3.987 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.632 -3.591 -3.893 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.736 -3.572 -3.015 1.00 0.00 C ATOM 0 H ILE D 56 1.718 -2.365 -7.523 1.00 0.00 H new ATOM 0 HA ILE D 56 3.404 -1.314 -5.357 1.00 0.00 H new ATOM 0 HB ILE D 56 2.116 -4.066 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.711 -1.723 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.567 -2.229 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.267 -4.299 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.421 -4.059 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.029 -2.709 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.070 -3.088 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.339 -4.427 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.501 -3.912 -2.316 1.00 0.00 H new ATOM 844 N PHE D 57 5.151 -2.214 -6.953 1.00 0.00 N ATOM 845 CA PHE D 57 6.127 -2.661 -7.951 1.00 0.00 C ATOM 846 C PHE D 57 7.447 -3.033 -7.293 1.00 0.00 C ATOM 847 O PHE D 57 8.242 -2.164 -6.941 1.00 0.00 O ATOM 848 CB PHE D 57 6.369 -1.550 -8.993 1.00 0.00 C ATOM 849 CG PHE D 57 5.142 -1.001 -9.719 1.00 0.00 C ATOM 850 CD1 PHE D 57 3.876 -1.590 -9.637 1.00 0.00 C ATOM 851 CD2 PHE D 57 5.271 0.146 -10.490 1.00 0.00 C ATOM 852 CE1 PHE D 57 2.797 -1.048 -10.295 1.00 0.00 C ATOM 853 CE2 PHE D 57 4.184 0.688 -11.150 1.00 0.00 C ATOM 854 CZ PHE D 57 2.945 0.088 -11.048 1.00 0.00 C ATOM 0 H PHE D 57 5.423 -1.374 -6.442 1.00 0.00 H new ATOM 0 HA PHE D 57 5.721 -3.543 -8.446 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.867 -0.719 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE D 57 7.062 -1.933 -9.742 1.00 0.00 H new ATOM 0 HD1 PHE D 57 3.744 -2.485 -9.047 1.00 0.00 H new ATOM 0 HD2 PHE D 57 6.236 0.623 -10.576 1.00 0.00 H new ATOM 0 HE1 PHE D 57 1.828 -1.519 -10.218 1.00 0.00 H new ATOM 0 HE2 PHE D 57 4.304 1.581 -11.745 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.094 0.513 -11.560 1.00 0.00 H new ATOM 864 N VAL D 58 7.725 -4.329 -7.248 1.00 0.00 N ATOM 865 CA VAL D 58 9.009 -4.821 -6.775 1.00 0.00 C ATOM 866 C VAL D 58 9.939 -5.103 -7.943 1.00 0.00 C ATOM 867 O VAL D 58 9.655 -5.962 -8.779 1.00 0.00 O ATOM 868 CB VAL D 58 8.861 -6.094 -5.910 1.00 0.00 C ATOM 869 CG1 VAL D 58 10.212 -6.726 -5.621 1.00 0.00 C ATOM 870 CG2 VAL D 58 8.163 -5.765 -4.604 1.00 0.00 C ATOM 0 H VAL D 58 7.074 -5.060 -7.535 1.00 0.00 H new ATOM 0 HA VAL D 58 9.438 -4.037 -6.150 1.00 0.00 H new ATOM 0 HB VAL D 58 8.260 -6.808 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL D 58 10.073 -7.619 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.694 -6.999 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.839 -6.014 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL D 58 8.066 -6.671 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.748 -5.028 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL D 58 7.173 -5.360 -4.813 1.00 0.00 H new ATOM 880 N ASN D 59 11.047 -4.368 -7.987 1.00 0.00 N ATOM 881 CA ASN D 59 12.047 -4.513 -9.047 1.00 0.00 C ATOM 882 C ASN D 59 11.459 -4.175 -10.411 1.00 0.00 C ATOM 883 O ASN D 59 11.785 -4.811 -11.414 1.00 0.00 O ATOM 884 CB ASN D 59 12.647 -5.929 -9.066 1.00 0.00 C ATOM 885 CG ASN D 59 13.439 -6.264 -7.814 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.549 -5.313 -6.897 1.00 0.00 O flip ATOM 887 ND2 ASN D 59 13.958 -7.371 -7.676 1.00 0.00 N flip ATOM 0 H ASN D 59 11.279 -3.657 -7.293 1.00 0.00 H new ATOM 0 HA ASN D 59 12.847 -3.806 -8.830 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.843 -6.655 -9.184 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.296 -6.029 -9.936 1.00 0.00 H new ATOM 0 HD21 ASN D 59 13.852 -8.078 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.494 -7.581 -6.834 1.00 0.00 H new ATOM 894 N GLY D 60 10.690 -3.096 -10.462 1.00 0.00 N ATOM 895 CA GLY D 60 10.191 -2.599 -11.731 1.00 0.00 C ATOM 896 C GLY D 60 8.867 -3.193 -12.142 1.00 0.00 C ATOM 897 O GLY D 60 8.078 -2.545 -12.832 1.00 0.00 O ATOM 0 H GLY D 60 10.402 -2.555 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY D 60 10.089 -1.515 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.928 -2.807 -12.507 1.00 0.00 H new ATOM 901 N GLU D 61 8.657 -4.445 -11.796 1.00 0.00 N ATOM 902 CA GLU D 61 7.456 -5.152 -12.220 1.00 0.00 C ATOM 903 C GLU D 61 6.335 -5.007 -11.201 1.00 0.00 C ATOM 904 O GLU D 61 6.574 -4.755 -10.021 1.00 0.00 O ATOM 905 CB GLU D 61 7.750 -6.632 -12.468 1.00 0.00 C ATOM 906 CG GLU D 61 8.261 -7.380 -11.248 1.00 0.00 C ATOM 907 CD GLU D 61 8.475 -8.847 -11.526 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.897 -9.572 -10.606 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.216 -9.276 -12.667 1.00 0.00 O1- ATOM 0 H GLU D 61 9.296 -4.997 -11.224 1.00 0.00 H new ATOM 0 HA GLU D 61 7.128 -4.698 -13.155 1.00 0.00 H new ATOM 0 HB2 GLU D 61 6.840 -7.117 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU D 61 8.488 -6.715 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU D 61 9.199 -6.934 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU D 61 7.549 -7.267 -10.430 1.00 0.00 H new ATOM 916 N LYS D 62 5.109 -5.159 -11.675 1.00 0.00 N ATOM 917 CA LYS D 62 3.937 -5.032 -10.827 1.00 0.00 C ATOM 918 C LYS D 62 3.630 -6.356 -10.136 1.00 0.00 C ATOM 919 O LYS D 62 3.530 -7.393 -10.791 1.00 0.00 O ATOM 920 CB LYS D 62 2.742 -4.577 -11.672 1.00 0.00 C ATOM 921 CG LYS D 62 1.457 -4.381 -10.885 1.00 0.00 C ATOM 922 CD LYS D 62 0.307 -3.879 -11.760 1.00 0.00 C ATOM 923 CE LYS D 62 -0.162 -4.901 -12.798 1.00 0.00 C ATOM 924 NZ LYS D 62 0.846 -5.173 -13.862 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.900 -5.372 -12.650 1.00 0.00 H new ATOM 0 HA LYS D 62 4.134 -4.287 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.998 -3.640 -12.167 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.565 -5.313 -12.456 1.00 0.00 H new ATOM 0 HG2 LYS D 62 1.171 -5.325 -10.421 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.633 -3.669 -10.078 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.534 -3.610 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.621 -2.970 -12.273 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -0.406 -5.835 -12.292 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.080 -4.541 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 0.366 -5.258 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 1.531 -4.391 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 1.345 -6.060 -13.649 1.00 0.00 H new ATOM 938 N VAL D 63 3.538 -6.330 -8.810 1.00 0.00 N ATOM 939 CA VAL D 63 3.305 -7.545 -8.050 1.00 0.00 C ATOM 940 C VAL D 63 1.864 -7.643 -7.542 1.00 0.00 C ATOM 941 O VAL D 63 1.331 -8.745 -7.406 1.00 0.00 O ATOM 942 CB VAL D 63 4.291 -7.676 -6.879 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.725 -7.663 -7.385 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.084 -6.591 -5.836 1.00 0.00 C ATOM 0 H VAL D 63 3.621 -5.484 -8.246 1.00 0.00 H new ATOM 0 HA VAL D 63 3.473 -8.374 -8.738 1.00 0.00 H new ATOM 0 HB VAL D 63 4.096 -8.633 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.409 -7.757 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.877 -8.497 -8.070 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.918 -6.726 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.802 -6.722 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.229 -5.613 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL D 63 3.072 -6.658 -5.437 1.00 0.00 H new ATOM 954 N TYR D 64 1.221 -6.501 -7.285 1.00 0.00 N ATOM 955 CA TYR D 64 -0.167 -6.508 -6.823 1.00 0.00 C ATOM 956 C TYR D 64 -0.891 -5.216 -7.211 1.00 0.00 C ATOM 957 O TYR D 64 -0.303 -4.130 -7.192 1.00 0.00 O ATOM 958 CB TYR D 64 -0.226 -6.708 -5.303 1.00 0.00 C ATOM 959 CG TYR D 64 -1.637 -6.866 -4.761 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.065 -6.164 -3.639 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.546 -7.719 -5.379 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.349 -6.307 -3.155 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.832 -7.866 -4.897 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.228 -7.157 -3.785 1.00 0.00 C ATOM 965 OH TYR D 64 -5.511 -7.293 -3.306 1.00 0.00 O ATOM 0 H TYR D 64 1.633 -5.573 -7.387 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.674 -7.340 -7.311 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.356 -7.591 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.248 -5.856 -4.815 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.380 -5.496 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.240 -8.277 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.663 -5.753 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.523 -8.534 -5.390 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.003 -7.930 -3.865 1.00 0.00 H new ATOM 975 N THR D 65 -2.192 -5.341 -7.473 1.00 0.00 N ATOM 976 CA THR D 65 -3.050 -4.198 -7.759 1.00 0.00 C ATOM 977 C THR D 65 -4.327 -4.285 -6.933 1.00 0.00 C ATOM 978 O THR D 65 -5.063 -5.269 -7.024 1.00 0.00 O ATOM 979 CB THR D 65 -3.392 -4.140 -9.233 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.216 -4.046 -10.018 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.307 -2.987 -9.620 1.00 0.00 C ATOM 0 H THR D 65 -2.678 -6.238 -7.492 1.00 0.00 H new ATOM 0 HA THR D 65 -2.511 -3.288 -7.493 1.00 0.00 H new ATOM 0 HB THR D 65 -3.929 -5.068 -9.428 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.367 -4.474 -10.887 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.501 -3.020 -10.692 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.249 -3.072 -9.078 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.827 -2.041 -9.367 1.00 0.00 H new ATOM 989 N PHE D 66 -4.632 -3.225 -6.203 1.00 0.00 N ATOM 990 CA PHE D 66 -5.880 -3.153 -5.450 1.00 0.00 C ATOM 991 C PHE D 66 -6.570 -1.840 -5.739 1.00 0.00 C ATOM 992 O PHE D 66 -5.936 -0.878 -6.159 1.00 0.00 O ATOM 993 CB PHE D 66 -5.648 -3.346 -3.947 1.00 0.00 C ATOM 994 CG PHE D 66 -4.761 -2.323 -3.272 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.471 -2.657 -2.878 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.229 -1.049 -2.979 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.667 -1.743 -2.220 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.428 -0.131 -2.325 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.144 -0.476 -1.945 1.00 0.00 C ATOM 0 H PHE D 66 -4.036 -2.402 -6.114 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.527 -3.969 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.617 -3.343 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.213 -4.333 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.090 -3.645 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.232 -0.771 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.667 -2.020 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.806 0.858 -2.111 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.517 0.241 -1.436 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.869 -1.814 -5.574 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.626 -0.619 -5.875 1.00 0.00 C ATOM 1011 C ASN D 67 -9.282 -0.117 -4.614 1.00 0.00 C ATOM 1012 O ASN D 67 -9.828 -0.902 -3.866 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.687 -0.910 -6.935 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.087 -1.475 -8.205 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.237 -0.847 -8.832 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.524 -2.664 -8.589 1.00 0.00 N ATOM 0 H ASN D 67 -8.424 -2.600 -5.235 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.951 0.142 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.415 -1.615 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.227 0.008 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.154 -3.094 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.231 -3.150 -8.038 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.267 1.189 -4.404 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.923 1.783 -3.239 1.00 0.00 C ATOM 1025 C GLU D 68 -11.414 1.502 -3.248 1.00 0.00 C ATOM 1026 O GLU D 68 -12.060 1.486 -2.201 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.689 3.282 -3.229 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.246 3.689 -3.001 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.839 3.584 -1.553 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.723 4.013 -1.218 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.643 3.072 -0.753 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.810 1.861 -5.020 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.495 1.336 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.025 3.696 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.307 3.729 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.594 3.058 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.103 4.714 -3.342 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.936 1.228 -4.434 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.333 0.868 -4.594 1.00 0.00 C ATOM 1040 C LYS D 69 -13.558 -0.445 -3.894 1.00 0.00 C ATOM 1041 O LYS D 69 -14.469 -0.582 -3.078 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.651 0.698 -6.059 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.247 1.891 -6.891 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.625 1.692 -8.348 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.940 0.470 -8.945 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.242 0.311 -10.391 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.406 1.249 -5.305 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.970 1.648 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.142 -0.190 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.721 0.526 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.731 2.788 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.172 2.049 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.706 1.581 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.351 2.579 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -11.862 0.556 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -13.260 -0.423 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -12.690 -0.482 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.257 0.119 -10.515 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -12.991 1.185 -10.896 1.00 0.00 H new ATOM 1060 N SER D 70 -12.557 -1.308 -4.040 1.00 0.00 N ATOM 1061 CA SER D 70 -12.473 -2.485 -3.227 1.00 0.00 C ATOM 1062 C SER D 70 -12.267 -2.020 -1.805 1.00 0.00 C ATOM 1063 O SER D 70 -11.333 -1.274 -1.530 1.00 0.00 O ATOM 1064 CB SER D 70 -11.313 -3.392 -3.651 1.00 0.00 C ATOM 1065 OG SER D 70 -11.346 -4.628 -2.948 1.00 0.00 O ATOM 0 H SER D 70 -11.801 -1.202 -4.716 1.00 0.00 H new ATOM 0 HA SER D 70 -13.385 -3.072 -3.334 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.367 -3.579 -4.724 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.365 -2.888 -3.462 1.00 0.00 H new ATOM 0 HG SER D 70 -10.597 -5.189 -3.238 1.00 0.00 H new ATOM 1071 N THR D 71 -13.163 -2.392 -0.923 1.00 0.00 N ATOM 1072 CA THR D 71 -13.076 -1.949 0.453 1.00 0.00 C ATOM 1073 C THR D 71 -11.689 -2.251 1.013 1.00 0.00 C ATOM 1074 O THR D 71 -11.245 -3.400 0.962 1.00 0.00 O ATOM 1075 CB THR D 71 -14.145 -2.638 1.276 1.00 0.00 C ATOM 1076 OG1 THR D 71 -14.050 -4.049 1.177 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.549 -2.239 0.877 1.00 0.00 C ATOM 0 H THR D 71 -13.958 -2.997 -1.129 1.00 0.00 H new ATOM 0 HA THR D 71 -13.237 -0.872 0.498 1.00 0.00 H new ATOM 0 HB THR D 71 -13.964 -2.314 2.301 1.00 0.00 H new ATOM 0 HG1 THR D 71 -13.121 -4.302 0.993 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.269 -2.766 1.503 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.673 -1.164 1.008 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.718 -2.499 -0.168 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.961 -1.209 1.451 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.590 -1.368 1.910 1.00 0.00 C ATOM 1087 C VAL D 72 -9.492 -2.411 3.022 1.00 0.00 C ATOM 1088 O VAL D 72 -8.426 -2.972 3.272 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.914 -0.037 2.336 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.688 0.189 1.465 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.852 1.164 2.187 1.00 0.00 C ATOM 0 H VAL D 72 -11.309 -0.251 1.493 1.00 0.00 H new ATOM 0 HA VAL D 72 -9.032 -1.726 1.045 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.644 -0.121 3.389 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.203 1.122 1.754 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.991 -0.638 1.597 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.990 0.246 0.419 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.334 2.071 2.497 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.158 1.259 1.145 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.733 1.018 2.812 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.656 -2.797 3.532 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.760 -3.914 4.426 1.00 0.00 C ATOM 1103 C GLY D 73 -10.456 -5.229 3.758 1.00 0.00 C ATOM 1104 O GLY D 73 -9.473 -5.882 4.091 1.00 0.00 O ATOM 0 H GLY D 73 -11.544 -2.338 3.330 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.075 -3.769 5.261 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.767 -3.948 4.842 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.296 -5.612 2.797 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.092 -6.870 2.074 1.00 0.00 C ATOM 1110 C ASN D 74 -9.819 -6.832 1.248 1.00 0.00 C ATOM 1111 O ASN D 74 -9.236 -7.874 0.959 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.278 -7.220 1.178 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.525 -7.528 1.975 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -13.525 -8.419 2.824 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.597 -6.808 1.697 1.00 0.00 N ATOM 0 H ASN D 74 -12.114 -5.079 2.503 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.000 -7.648 2.832 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.477 -6.389 0.501 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.022 -8.080 0.560 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.471 -6.981 2.194 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.551 -6.079 0.985 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.314 -5.634 1.000 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.013 -5.496 0.356 1.00 0.00 C ATOM 1124 C ILE D 75 -6.921 -5.938 1.319 1.00 0.00 C ATOM 1125 O ILE D 75 -5.983 -6.616 0.931 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.717 -4.050 -0.065 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.744 -3.501 -1.071 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.312 -3.938 -0.630 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.489 -2.051 -1.414 1.00 0.00 C ATOM 0 H ILE D 75 -9.775 -4.754 1.230 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.033 -6.119 -0.538 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.795 -3.438 0.834 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.713 -4.099 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.747 -3.604 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.119 -2.906 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.590 -4.241 0.128 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.217 -4.587 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.239 -1.708 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.547 -1.447 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.497 -1.950 -1.854 1.00 0.00 H new ATOM 1141 N SER D 76 -7.049 -5.547 2.581 1.00 0.00 N ATOM 1142 CA SER D 76 -6.059 -5.906 3.589 1.00 0.00 C ATOM 1143 C SER D 76 -6.169 -7.370 3.964 1.00 0.00 C ATOM 1144 O SER D 76 -5.149 -8.021 4.197 1.00 0.00 O ATOM 1145 CB SER D 76 -6.191 -5.016 4.821 1.00 0.00 C ATOM 1146 OG SER D 76 -5.294 -5.409 5.841 1.00 0.00 O ATOM 0 H SER D 76 -7.825 -4.984 2.930 1.00 0.00 H new ATOM 0 HA SER D 76 -5.070 -5.745 3.160 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.998 -3.979 4.545 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.213 -5.061 5.196 1.00 0.00 H new ATOM 0 HG SER D 76 -5.740 -5.344 6.711 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.360 -7.935 3.800 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.503 -9.380 3.892 1.00 0.00 C ATOM 1154 C ASN D 77 -6.630 -10.041 2.838 1.00 0.00 C ATOM 1155 O ASN D 77 -6.178 -11.162 3.025 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.959 -9.830 3.715 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.851 -9.448 4.882 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.424 -10.447 5.531 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -10.022 -8.274 5.199 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.223 -7.426 3.607 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.187 -9.683 4.890 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.359 -9.390 2.801 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.985 -10.912 3.586 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -9.562 -7.531 4.673 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.624 -8.041 5.989 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.341 -9.289 1.768 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.447 -9.736 0.701 1.00 0.00 C ATOM 1168 C ASP D 78 -3.996 -9.341 0.957 1.00 0.00 C ATOM 1169 O ASP D 78 -3.080 -10.051 0.561 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.897 -9.161 -0.651 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.173 -9.781 -1.172 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.644 -9.351 -2.243 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.696 -10.708 -0.529 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.722 -8.354 1.621 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.501 -10.824 0.680 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.039 -8.085 -0.551 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.104 -9.311 -1.383 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.774 -8.154 1.486 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.413 -7.646 1.617 1.00 0.00 C ATOM 1180 C ILE D 79 -1.600 -8.498 2.584 1.00 0.00 C ATOM 1181 O ILE D 79 -0.375 -8.587 2.474 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.406 -6.166 2.078 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.326 -5.356 1.184 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -1.008 -5.583 1.996 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.438 -3.910 1.582 1.00 0.00 C ATOM 0 H ILE D 79 -4.502 -7.528 1.829 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.951 -7.701 0.631 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.748 -6.126 3.112 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.964 -5.414 0.158 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.319 -5.805 1.198 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -1.027 -4.544 2.324 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.337 -6.154 2.638 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.653 -5.632 0.966 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -4.112 -3.395 0.897 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.830 -3.841 2.597 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.454 -3.444 1.541 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.291 -9.175 3.487 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.644 -10.068 4.423 1.00 0.00 C ATOM 1199 C ASN D 80 -1.112 -11.331 3.749 1.00 0.00 C ATOM 1200 O ASN D 80 -0.121 -11.896 4.205 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.597 -10.421 5.561 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.820 -9.259 6.510 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.872 -8.746 7.111 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -4.066 -8.838 6.659 1.00 0.00 N ATOM 0 H ASN D 80 -3.304 -9.120 3.588 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.781 -9.542 4.832 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.554 -10.736 5.145 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.197 -11.269 6.117 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -4.270 -8.062 7.289 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.822 -9.289 6.144 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.694 -11.730 2.617 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.156 -12.868 1.880 1.00 0.00 C ATOM 1213 C LYS D 81 -0.117 -12.437 0.851 1.00 0.00 C ATOM 1214 O LYS D 81 0.956 -13.031 0.777 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.239 -13.725 1.215 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.314 -12.958 0.487 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.475 -12.686 1.416 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.084 -13.969 1.975 1.00 0.00 C ATOM 1219 NZ LYS D 81 -5.624 -14.851 0.907 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.517 -11.294 2.201 1.00 0.00 H new ATOM 0 HA LYS D 81 -0.668 -13.493 2.628 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -1.759 -14.403 0.510 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -2.711 -14.342 1.980 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.910 -12.018 0.111 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.655 -13.527 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.138 -12.058 2.240 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.242 -12.126 0.881 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -4.327 -14.511 2.542 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -5.883 -13.715 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.101 -15.667 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.305 -14.319 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -4.844 -15.185 0.305 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.426 -11.400 0.072 1.00 0.00 N ATOM 1234 CA LEU D 82 0.489 -10.882 -0.941 1.00 0.00 C ATOM 1235 C LEU D 82 1.888 -10.597 -0.389 1.00 0.00 C ATOM 1236 O LEU D 82 2.876 -10.706 -1.116 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.108 -9.639 -1.563 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.157 -9.907 -2.642 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.506 -10.490 -3.883 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.264 -10.832 -2.168 1.00 0.00 C ATOM 0 H LEU D 82 -1.313 -10.899 0.126 1.00 0.00 H new ATOM 0 HA LEU D 82 0.616 -11.653 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.562 -9.037 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.696 -9.044 -1.996 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.611 -8.945 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.267 -10.675 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.230 -9.787 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.013 -11.428 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.980 -10.986 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.836 -11.790 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.772 -10.384 -1.314 1.00 0.00 H new ATOM 1252 N ASN D 83 1.963 -10.328 0.919 1.00 0.00 N ATOM 1253 CA ASN D 83 3.236 -10.130 1.624 1.00 0.00 C ATOM 1254 C ASN D 83 4.120 -9.130 0.878 1.00 0.00 C ATOM 1255 O ASN D 83 5.138 -9.497 0.286 1.00 0.00 O ATOM 1256 CB ASN D 83 3.969 -11.471 1.782 1.00 0.00 C ATOM 1257 CG ASN D 83 5.202 -11.401 2.675 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.438 -10.260 3.307 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 5.925 -12.384 2.815 1.00 0.00 N flip ATOM 0 H ASN D 83 1.143 -10.241 1.520 1.00 0.00 H new ATOM 0 HA ASN D 83 3.021 -9.726 2.613 1.00 0.00 H new ATOM 0 HB2 ASN D 83 3.277 -12.206 2.193 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.266 -11.829 0.796 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.715 -13.247 2.314 1.00 0.00 H new ATOM 0 HD22 ASN D 83 6.735 -12.337 3.433 1.00 0.00 H new ATOM 1266 N ILE D 84 3.707 -7.874 0.884 1.00 0.00 N ATOM 1267 CA ILE D 84 4.439 -6.832 0.185 1.00 0.00 C ATOM 1268 C ILE D 84 5.718 -6.467 0.932 1.00 0.00 C ATOM 1269 O ILE D 84 5.681 -5.801 1.963 1.00 0.00 O ATOM 1270 CB ILE D 84 3.593 -5.557 -0.044 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.390 -5.821 -0.962 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.450 -4.455 -0.638 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.326 -6.716 -0.370 1.00 0.00 C ATOM 0 H ILE D 84 2.868 -7.551 1.366 1.00 0.00 H new ATOM 0 HA ILE D 84 4.691 -7.243 -0.793 1.00 0.00 H new ATOM 0 HB ILE D 84 3.213 -5.245 0.929 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.936 -4.866 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.749 -6.270 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.841 -3.564 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.267 -4.221 0.045 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.859 -4.786 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.517 -6.845 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.759 -7.688 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE D 84 0.933 -6.262 0.540 1.00 0.00 H new ATOM 1285 N LYS D 85 6.851 -6.877 0.386 1.00 0.00 N ATOM 1286 CA LYS D 85 8.139 -6.561 0.983 1.00 0.00 C ATOM 1287 C LYS D 85 9.252 -6.458 -0.052 1.00 0.00 C ATOM 1288 O LYS D 85 8.999 -6.527 -1.255 1.00 0.00 O ATOM 1289 CB LYS D 85 8.491 -7.540 2.121 1.00 0.00 C ATOM 1290 CG LYS D 85 8.124 -9.024 1.926 1.00 0.00 C ATOM 1291 CD LYS D 85 8.877 -9.744 0.805 1.00 0.00 C ATOM 1292 CE LYS D 85 8.306 -9.459 -0.576 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.008 -10.232 -1.634 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.905 -7.429 -0.470 1.00 0.00 H new ATOM 0 HA LYS D 85 8.046 -5.570 1.427 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.565 -7.480 2.295 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.001 -7.189 3.029 1.00 0.00 H new ATOM 0 HG2 LYS D 85 8.308 -9.552 2.862 1.00 0.00 H new ATOM 0 HG3 LYS D 85 7.055 -9.093 1.725 1.00 0.00 H new ATOM 0 HD2 LYS D 85 9.924 -9.443 0.828 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.850 -10.818 0.988 1.00 0.00 H new ATOM 0 HE2 LYS D 85 7.245 -9.707 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS D 85 8.387 -8.393 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 8.462 -10.186 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.953 -9.827 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 9.101 -11.224 -1.335 1.00 0.00 H new ATOM 1307 N GLY D 86 10.451 -6.155 0.433 1.00 0.00 N ATOM 1308 CA GLY D 86 11.587 -5.877 -0.432 1.00 0.00 C ATOM 1309 C GLY D 86 11.940 -6.985 -1.394 1.00 0.00 C ATOM 1310 O GLY D 86 11.447 -8.112 -1.291 1.00 0.00 O ATOM 0 H GLY D 86 10.660 -6.096 1.430 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.377 -4.973 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY D 86 12.456 -5.666 0.191 1.00 0.00 H new ATOM 1314 N PRO D 87 12.813 -6.671 -2.358 1.00 0.00 N ATOM 1315 CA PRO D 87 13.405 -5.337 -2.487 1.00 0.00 C ATOM 1316 C PRO D 87 12.625 -4.390 -3.409 1.00 0.00 C ATOM 1317 O PRO D 87 11.607 -4.781 -3.959 1.00 0.00 O ATOM 1318 CB PRO D 87 14.758 -5.674 -3.067 1.00 0.00 C ATOM 1319 CG PRO D 87 14.507 -6.838 -3.969 1.00 0.00 C ATOM 1320 CD PRO D 87 13.311 -7.582 -3.401 1.00 0.00 C ATOM 0 HA PRO D 87 13.422 -4.793 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO D 87 15.174 -4.830 -3.617 1.00 0.00 H new ATOM 0 HB3 PRO D 87 15.472 -5.927 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO D 87 14.306 -6.503 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO D 87 15.381 -7.488 -4.014 1.00 0.00 H new ATOM 0 HD2 PRO D 87 12.556 -7.772 -4.164 1.00 0.00 H new ATOM 0 HD3 PRO D 87 13.597 -8.549 -2.988 1.00 0.00 H new ATOM 1328 N TYR D 88 13.121 -3.140 -3.523 1.00 0.00 N ATOM 1329 CA TYR D 88 12.505 -2.051 -4.328 1.00 0.00 C ATOM 1330 C TYR D 88 10.988 -2.146 -4.400 1.00 0.00 C ATOM 1331 O TYR D 88 10.443 -2.844 -5.253 1.00 0.00 O ATOM 1332 CB TYR D 88 13.064 -2.000 -5.757 1.00 0.00 C ATOM 1333 CG TYR D 88 14.543 -1.700 -5.832 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.479 -2.610 -5.375 1.00 0.00 C ATOM 1335 CD2 TYR D 88 14.994 -0.489 -6.333 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.829 -2.327 -5.419 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.344 -0.199 -6.386 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.256 -1.122 -5.926 1.00 0.00 C ATOM 1339 OH TYR D 88 18.599 -0.835 -5.967 1.00 0.00 O ATOM 0 H TYR D 88 13.977 -2.849 -3.051 1.00 0.00 H new ATOM 0 HA TYR D 88 12.769 -1.134 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.873 -2.956 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.521 -1.241 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR D 88 15.148 -3.558 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.279 0.239 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.547 -3.048 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.682 0.746 -6.786 1.00 0.00 H new ATOM 0 HH TYR D 88 18.732 0.055 -6.355 1.00 0.00 H new ATOM 1349 N ILE D 89 10.310 -1.462 -3.496 1.00 0.00 N ATOM 1350 CA ILE D 89 8.863 -1.519 -3.451 1.00 0.00 C ATOM 1351 C ILE D 89 8.260 -0.208 -3.883 1.00 0.00 C ATOM 1352 O ILE D 89 8.384 0.816 -3.208 1.00 0.00 O ATOM 1353 CB ILE D 89 8.336 -1.877 -2.047 1.00 0.00 C ATOM 1354 CG1 ILE D 89 9.121 -3.057 -1.490 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.865 -2.230 -2.110 1.00 0.00 C ATOM 1356 CD1 ILE D 89 10.417 -2.653 -0.818 1.00 0.00 C ATOM 0 H ILE D 89 10.736 -0.864 -2.788 1.00 0.00 H new ATOM 0 HA ILE D 89 8.564 -2.308 -4.141 1.00 0.00 H new ATOM 0 HB ILE D 89 8.463 -1.013 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.499 -3.591 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.342 -3.752 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.508 -2.480 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.303 -1.379 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.724 -3.085 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.925 -3.542 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE D 89 11.058 -2.145 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE D 89 10.202 -1.981 0.013 1.00 0.00 H new ATOM 1368 N GLU D 90 7.519 -0.276 -4.961 1.00 0.00 N ATOM 1369 CA GLU D 90 6.785 0.883 -5.435 1.00 0.00 C ATOM 1370 C GLU D 90 5.323 0.777 -5.032 1.00 0.00 C ATOM 1371 O GLU D 90 4.475 0.318 -5.794 1.00 0.00 O ATOM 1372 CB GLU D 90 6.916 1.046 -6.952 1.00 0.00 C ATOM 1373 CG GLU D 90 6.207 2.278 -7.501 1.00 0.00 C ATOM 1374 CD GLU D 90 6.754 3.578 -6.950 1.00 0.00 C ATOM 1375 OE1 GLU D 90 6.742 3.764 -5.717 1.00 0.00 O ATOM 1376 OE2 GLU D 90 7.181 4.422 -7.754 1.00 0.00 O1- ATOM 0 H GLU D 90 7.405 -1.116 -5.529 1.00 0.00 H new ATOM 0 HA GLU D 90 7.216 1.770 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU D 90 7.973 1.100 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.513 0.159 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU D 90 6.296 2.286 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU D 90 5.144 2.211 -7.268 1.00 0.00 H new ATOM 1383 N ILE D 91 5.045 1.260 -3.843 1.00 0.00 N ATOM 1384 CA ILE D 91 3.705 1.307 -3.307 1.00 0.00 C ATOM 1385 C ILE D 91 3.118 2.711 -3.501 1.00 0.00 C ATOM 1386 O ILE D 91 3.449 3.645 -2.764 1.00 0.00 O ATOM 1387 CB ILE D 91 3.723 0.904 -1.808 1.00 0.00 C ATOM 1388 CG1 ILE D 91 4.095 -0.562 -1.642 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.413 1.160 -1.114 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.921 -1.055 -0.221 1.00 0.00 C ATOM 0 H ILE D 91 5.753 1.636 -3.213 1.00 0.00 H new ATOM 0 HA ILE D 91 3.071 0.598 -3.840 1.00 0.00 H new ATOM 0 HB ILE D 91 4.478 1.536 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.480 -1.166 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.132 -0.706 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.489 0.858 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE D 91 2.174 2.222 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.625 0.586 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.201 -2.107 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.557 -0.473 0.446 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.879 -0.940 0.079 1.00 0.00 H new ATOM 1402 N LYS D 92 2.258 2.846 -4.513 1.00 0.00 N ATOM 1403 CA LYS D 92 1.618 4.119 -4.843 1.00 0.00 C ATOM 1404 C LYS D 92 0.384 3.887 -5.707 1.00 0.00 C ATOM 1405 O LYS D 92 0.218 2.811 -6.281 1.00 0.00 O ATOM 1406 CB LYS D 92 2.620 5.064 -5.533 1.00 0.00 C ATOM 1407 CG LYS D 92 3.304 4.511 -6.789 1.00 0.00 C ATOM 1408 CD LYS D 92 2.302 4.136 -7.861 1.00 0.00 C ATOM 1409 CE LYS D 92 2.935 3.889 -9.218 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.679 5.079 -9.714 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.987 2.077 -5.125 1.00 0.00 H new ATOM 0 HA LYS D 92 1.292 4.598 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.098 5.983 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.391 5.334 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS D 92 3.995 5.256 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.896 3.635 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS D 92 1.766 3.239 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.564 4.933 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS D 92 3.614 3.039 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.160 3.622 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.802 5.007 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.144 5.942 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.612 5.121 -9.256 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.428 4.917 -5.893 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.551 4.786 -6.804 1.00 0.00 C ATOM 1426 C GLN D 93 -1.190 5.256 -8.198 1.00 0.00 C ATOM 1427 O GLN D 93 -0.154 5.893 -8.419 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.788 5.515 -6.333 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.621 7.009 -6.261 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.900 7.709 -5.856 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.930 7.567 -6.516 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.845 8.471 -4.776 1.00 0.00 N ATOM 0 H GLN D 93 -0.335 5.826 -5.440 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.784 3.721 -6.827 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.614 5.283 -7.006 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.065 5.142 -5.347 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.835 7.251 -5.546 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.296 7.384 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.970 8.560 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.677 8.969 -4.460 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.988 4.816 -9.144 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.722 5.025 -10.549 1.00 0.00 C ATOM 1443 C ILE D 94 -2.948 5.562 -11.278 1.00 0.00 C ATOM 1444 O ILE D 94 -3.991 5.751 -10.624 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.279 3.700 -11.166 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.262 2.612 -10.758 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.131 3.344 -10.740 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.833 1.218 -11.121 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.855 5.794 -12.496 1.00 0.00 O ATOM 0 H ILE D 94 -2.847 4.299 -8.958 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.933 5.770 -10.651 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.273 3.794 -12.252 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.414 2.663 -9.680 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.225 2.816 -11.226 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.420 2.396 -11.194 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.817 4.126 -11.064 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.171 3.253 -9.655 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.591 0.507 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.710 1.145 -12.202 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -0.886 0.990 -10.632 1.00 0.00 H new