USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 70 SER OG : rot 80:sc=-0.000618 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.193 X(o=0.19,f=-0.2) USER MOD Set 2.1: D 21 ASN : amide:sc= -5.16! C(o=-5.2!,f=-6.5!) USER MOD Set 2.2: D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 17 ASN : amide:sc= -8.84! C(o=-8.8!,f=-8.3!) USER MOD Single : D 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0588) USER MOD Single : D 22 LYS NZ :NH3+ 135:sc= -1.81! (180deg=-6.93!) USER MOD Single : D 24 LYS NZ :NH3+ 137:sc= 1.64 (180deg=1.22) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl -143:sc= -0.367 (180deg=-0.942) USER MOD Single : D 32 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.056) USER MOD Single : D 34 ASN : amide:sc= -2.32! K(o=-2.3!,f=0) USER MOD Single : D 35 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : D 37 LYS NZ :NH3+ -172:sc= -0.0209 (180deg=-0.146) USER MOD Single : D 39 THR OG1 : rot 140:sc= -3.71! USER MOD Single : D 40 SER OG : rot 23:sc= -2.96! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -13.3! C(o=-13!,f=-16!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.718 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 164:sc= -0.0781 (180deg=-0.478) USER MOD Single : D 53 ASN : amide:sc= -2.93! K(o=-2.9!,f=-0.21) USER MOD Single : D 59 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.49) USER MOD Single : D 62 LYS NZ :NH3+ -137:sc= -2.43! (180deg=-5.18!) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 170:sc= -0.445 USER MOD Single : D 67 ASN : amide:sc= -5.35! C(o=-5.3!,f=-5.9!) USER MOD Single : D 69 LYS NZ :NH3+ -147:sc= -2.99! (180deg=-5.31!) USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : D 76 SER OG : rot 180:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -0.131 K(o=-0.13,f=0.85) USER MOD Single : D 80 ASN : amide:sc=-0.00136 K(o=-0.0014,f=-0.79) USER MOD Single : D 81 LYS NZ :NH3+ 153:sc= -0.158 (180deg=-0.854) USER MOD Single : D 83 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.038) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -168:sc= 0.724 (180deg=0.519!) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.779 4.011 3.864 1.00 0.00 N ATOM 185 CA ILE D 13 5.880 3.050 4.488 1.00 0.00 C ATOM 186 C ILE D 13 4.915 3.732 5.447 1.00 0.00 C ATOM 187 O ILE D 13 3.895 3.172 5.846 1.00 0.00 O ATOM 188 CB ILE D 13 6.733 2.001 5.219 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.655 1.340 4.212 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.883 0.959 5.936 1.00 0.00 C ATOM 191 CD1 ILE D 13 6.925 0.543 3.150 1.00 0.00 C ATOM 0 HA ILE D 13 5.272 2.569 3.722 1.00 0.00 H new ATOM 0 HB ILE D 13 7.315 2.505 5.990 1.00 0.00 H new ATOM 0 HG12 ILE D 13 8.259 2.107 3.727 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.343 0.680 4.741 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.533 0.241 6.437 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.250 1.451 6.674 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.258 0.438 5.211 1.00 0.00 H new ATOM 0 HD11 ILE D 13 7.649 0.100 2.466 1.00 0.00 H new ATOM 0 HD12 ILE D 13 6.343 -0.247 3.624 1.00 0.00 H new ATOM 0 HD13 ILE D 13 6.258 1.202 2.595 1.00 0.00 H new ATOM 203 N ASN D 14 5.172 4.989 5.693 1.00 0.00 N ATOM 204 CA ASN D 14 4.245 5.808 6.470 1.00 0.00 C ATOM 205 C ASN D 14 3.299 6.579 5.556 1.00 0.00 C ATOM 206 O ASN D 14 2.083 6.549 5.744 1.00 0.00 O ATOM 207 CB ASN D 14 4.994 6.773 7.386 1.00 0.00 C ATOM 208 CG ASN D 14 5.789 6.051 8.453 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.228 5.327 9.277 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.101 6.234 8.446 1.00 0.00 N ATOM 0 H ASN D 14 6.008 5.478 5.374 1.00 0.00 H new ATOM 0 HA ASN D 14 3.655 5.134 7.091 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.667 7.389 6.789 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.281 7.447 7.861 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.685 5.767 9.140 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.527 6.842 7.747 1.00 0.00 H new ATOM 217 N SER D 15 3.863 7.271 4.570 1.00 0.00 N ATOM 218 CA SER D 15 3.081 8.057 3.633 1.00 0.00 C ATOM 219 C SER D 15 2.212 7.168 2.759 1.00 0.00 C ATOM 220 O SER D 15 1.114 7.564 2.405 1.00 0.00 O ATOM 221 CB SER D 15 3.973 8.939 2.759 1.00 0.00 C ATOM 222 OG SER D 15 4.884 8.159 1.998 1.00 0.00 O ATOM 0 H SER D 15 4.869 7.300 4.402 1.00 0.00 H new ATOM 0 HA SER D 15 2.433 8.704 4.224 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.354 9.535 2.089 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.526 9.637 3.388 1.00 0.00 H new ATOM 0 HG SER D 15 5.440 8.749 1.448 1.00 0.00 H new ATOM 228 N VAL D 16 2.672 5.938 2.478 1.00 0.00 N ATOM 229 CA VAL D 16 1.882 4.954 1.715 1.00 0.00 C ATOM 230 C VAL D 16 0.489 4.820 2.310 1.00 0.00 C ATOM 231 O VAL D 16 -0.487 4.523 1.623 1.00 0.00 O ATOM 232 CB VAL D 16 2.566 3.555 1.718 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.687 3.001 3.118 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.816 2.563 0.844 1.00 0.00 C ATOM 0 H VAL D 16 3.589 5.599 2.768 1.00 0.00 H new ATOM 0 HA VAL D 16 1.816 5.314 0.688 1.00 0.00 H new ATOM 0 HB VAL D 16 3.566 3.697 1.308 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.169 2.024 3.082 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.285 3.679 3.727 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.694 2.900 3.556 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.323 1.598 0.871 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.798 2.448 1.215 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.789 2.930 -0.182 1.00 0.00 H new ATOM 244 N ASN D 17 0.423 5.069 3.597 1.00 0.00 N ATOM 245 CA ASN D 17 -0.822 4.992 4.343 1.00 0.00 C ATOM 246 C ASN D 17 -1.610 6.276 4.212 1.00 0.00 C ATOM 247 O ASN D 17 -2.820 6.254 4.193 1.00 0.00 O ATOM 248 CB ASN D 17 -0.544 4.690 5.813 1.00 0.00 C ATOM 249 CG ASN D 17 0.106 3.338 6.017 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.471 2.976 7.135 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.224 2.568 4.943 1.00 0.00 N ATOM 0 H ASN D 17 1.230 5.332 4.162 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.418 4.181 3.925 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.103 5.466 6.223 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.480 4.727 6.371 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.630 1.636 5.026 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.092 2.908 4.035 1.00 0.00 H new ATOM 258 N ASP D 18 -0.912 7.384 4.069 1.00 0.00 N ATOM 259 CA ASP D 18 -1.537 8.685 3.877 1.00 0.00 C ATOM 260 C ASP D 18 -2.374 8.763 2.593 1.00 0.00 C ATOM 261 O ASP D 18 -3.228 9.639 2.466 1.00 0.00 O ATOM 262 CB ASP D 18 -0.452 9.760 3.846 1.00 0.00 C ATOM 263 CG ASP D 18 0.163 10.027 5.202 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.776 9.108 5.775 1.00 0.00 O ATOM 265 OD2 ASP D 18 0.030 11.160 5.700 1.00 0.00 O1- ATOM 0 H ASP D 18 0.108 7.412 4.082 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.220 8.845 4.711 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.332 9.456 3.153 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.878 10.686 3.459 1.00 0.00 H new ATOM 270 N LYS D 19 -2.191 7.816 1.675 1.00 0.00 N ATOM 271 CA LYS D 19 -3.020 7.780 0.462 1.00 0.00 C ATOM 272 C LYS D 19 -4.215 6.924 0.734 1.00 0.00 C ATOM 273 O LYS D 19 -5.326 7.210 0.304 1.00 0.00 O ATOM 274 CB LYS D 19 -2.309 7.191 -0.760 1.00 0.00 C ATOM 275 CG LYS D 19 -1.004 7.861 -1.109 1.00 0.00 C ATOM 276 CD LYS D 19 0.069 7.349 -0.195 1.00 0.00 C ATOM 277 CE LYS D 19 1.416 7.977 -0.451 1.00 0.00 C ATOM 278 NZ LYS D 19 1.932 7.692 -1.817 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.492 7.076 1.740 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.274 8.814 0.230 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.122 6.132 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.977 7.256 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.742 7.657 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.098 8.942 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.222 7.538 0.838 1.00 0.00 H new ATOM 0 HD3 LYS D 19 0.151 6.268 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.342 9.056 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS D 19 2.130 7.610 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.907 8.044 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.919 6.666 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.331 8.167 -2.521 1.00 0.00 H new ATOM 292 N LEU D 20 -3.930 5.831 1.399 1.00 0.00 N ATOM 293 CA LEU D 20 -4.907 4.826 1.715 1.00 0.00 C ATOM 294 C LEU D 20 -5.879 5.343 2.764 1.00 0.00 C ATOM 295 O LEU D 20 -7.087 5.150 2.673 1.00 0.00 O ATOM 296 CB LEU D 20 -4.150 3.634 2.253 1.00 0.00 C ATOM 297 CG LEU D 20 -3.116 3.052 1.285 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.243 2.019 1.973 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.811 2.437 0.082 1.00 0.00 C ATOM 0 H LEU D 20 -2.994 5.614 1.741 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.486 4.558 0.832 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.644 3.925 3.174 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.864 2.853 2.515 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.474 3.865 0.946 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.518 1.623 1.261 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.716 2.484 2.806 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.866 1.206 2.346 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.065 2.027 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.476 1.640 0.414 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.391 3.202 -0.434 1.00 0.00 H new ATOM 311 N ASN D 21 -5.320 6.045 3.736 1.00 0.00 N ATOM 312 CA ASN D 21 -6.084 6.667 4.799 1.00 0.00 C ATOM 313 C ASN D 21 -6.806 7.899 4.276 1.00 0.00 C ATOM 314 O ASN D 21 -6.166 8.913 3.995 1.00 0.00 O ATOM 315 CB ASN D 21 -5.158 7.054 5.962 1.00 0.00 C ATOM 316 CG ASN D 21 -4.744 5.863 6.809 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.585 5.173 7.385 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.448 5.617 6.905 1.00 0.00 N ATOM 0 H ASN D 21 -4.314 6.199 3.808 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.824 5.953 5.161 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.266 7.538 5.564 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.663 7.785 6.594 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.118 4.835 7.470 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.779 6.210 6.414 1.00 0.00 H new ATOM 325 N LYS D 22 -8.100 7.777 3.989 1.00 0.00 N ATOM 326 CA LYS D 22 -8.795 8.881 3.317 1.00 0.00 C ATOM 327 C LYS D 22 -9.989 9.418 4.096 1.00 0.00 C ATOM 328 O LYS D 22 -10.234 10.625 4.106 1.00 0.00 O ATOM 329 CB LYS D 22 -9.259 8.435 1.937 1.00 0.00 C ATOM 330 CG LYS D 22 -8.125 7.960 1.050 1.00 0.00 C ATOM 331 CD LYS D 22 -8.631 7.511 -0.302 1.00 0.00 C ATOM 332 CE LYS D 22 -9.044 8.689 -1.161 1.00 0.00 C ATOM 333 NZ LYS D 22 -9.408 8.261 -2.532 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.674 6.960 4.200 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.073 9.694 3.243 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.986 7.631 2.048 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.772 9.263 1.448 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.401 8.765 0.920 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.602 7.136 1.536 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.853 6.943 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.480 6.841 -0.169 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.891 9.197 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -8.228 9.410 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -10.287 8.735 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -8.644 8.517 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -9.549 7.231 -2.548 1.00 0.00 H new ATOM 347 N GLY D 23 -10.794 8.528 4.648 1.00 0.00 N ATOM 348 CA GLY D 23 -12.006 8.949 5.291 1.00 0.00 C ATOM 349 C GLY D 23 -13.002 7.824 5.424 1.00 0.00 C ATOM 350 O GLY D 23 -13.135 7.250 6.503 1.00 0.00 O ATOM 0 H GLY D 23 -10.626 7.522 4.660 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.772 9.344 6.280 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.454 9.763 4.721 1.00 0.00 H new ATOM 354 N LYS D 24 -13.647 7.455 4.314 1.00 0.00 N ATOM 355 CA LYS D 24 -14.569 6.321 4.314 1.00 0.00 C ATOM 356 C LYS D 24 -13.804 5.090 4.760 1.00 0.00 C ATOM 357 O LYS D 24 -13.960 4.627 5.887 1.00 0.00 O ATOM 358 CB LYS D 24 -15.158 6.087 2.917 1.00 0.00 C ATOM 359 CG LYS D 24 -16.321 5.099 2.870 1.00 0.00 C ATOM 360 CD LYS D 24 -17.534 5.636 3.619 1.00 0.00 C ATOM 361 CE LYS D 24 -18.784 4.804 3.353 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.615 3.378 3.738 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.548 7.922 3.412 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.396 6.528 4.993 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.495 7.043 2.515 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.366 5.726 2.260 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.590 4.900 1.833 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.012 4.149 3.307 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.325 5.644 4.689 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.716 6.669 3.322 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.623 5.228 3.905 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.037 4.863 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.470 3.047 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.462 2.804 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -17.794 3.284 4.370 1.00 0.00 H new ATOM 376 N GLY D 25 -12.883 4.650 3.913 1.00 0.00 N ATOM 377 CA GLY D 25 -12.003 3.581 4.275 1.00 0.00 C ATOM 378 C GLY D 25 -10.565 3.924 4.064 1.00 0.00 C ATOM 379 O GLY D 25 -10.242 4.915 3.409 1.00 0.00 O ATOM 0 H GLY D 25 -12.737 5.025 2.976 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.161 3.324 5.322 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.251 2.696 3.689 1.00 0.00 H new ATOM 383 N LYS D 26 -9.718 3.224 4.788 1.00 0.00 N ATOM 384 CA LYS D 26 -8.328 3.567 4.855 1.00 0.00 C ATOM 385 C LYS D 26 -7.466 2.331 5.039 1.00 0.00 C ATOM 386 O LYS D 26 -7.959 1.279 5.442 1.00 0.00 O ATOM 387 CB LYS D 26 -8.196 4.507 6.012 1.00 0.00 C ATOM 388 CG LYS D 26 -8.933 3.983 7.207 1.00 0.00 C ATOM 389 CD LYS D 26 -9.176 5.073 8.233 1.00 0.00 C ATOM 390 CE LYS D 26 -10.252 6.036 7.752 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.309 7.271 8.580 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.979 2.407 5.341 1.00 0.00 H new ATOM 0 HA LYS D 26 -7.986 4.031 3.930 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.143 4.642 6.259 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.588 5.487 5.738 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -9.887 3.560 6.891 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.361 3.174 7.662 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.478 4.626 9.180 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.250 5.618 8.418 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.059 6.305 6.713 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -11.221 5.538 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -11.055 7.898 8.217 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.519 7.018 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.393 7.761 8.536 1.00 0.00 H new ATOM 405 N LEU D 27 -6.193 2.447 4.701 1.00 0.00 N ATOM 406 CA LEU D 27 -5.282 1.319 4.783 1.00 0.00 C ATOM 407 C LEU D 27 -3.928 1.719 5.368 1.00 0.00 C ATOM 408 O LEU D 27 -3.423 2.817 5.138 1.00 0.00 O ATOM 409 CB LEU D 27 -5.126 0.683 3.408 1.00 0.00 C ATOM 410 CG LEU D 27 -4.047 -0.391 3.297 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.303 -1.529 4.269 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.970 -0.930 1.878 1.00 0.00 C ATOM 0 H LEU D 27 -5.767 3.312 4.367 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.709 0.584 5.465 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.081 0.244 3.120 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.906 1.470 2.686 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.094 0.072 3.552 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.518 -2.278 4.167 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.306 -1.143 5.288 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.269 -1.984 4.051 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.195 -1.694 1.821 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.930 -1.366 1.602 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.730 -0.117 1.193 1.00 0.00 H new ATOM 424 N SER D 28 -3.383 0.812 6.154 1.00 0.00 N ATOM 425 CA SER D 28 -2.122 0.995 6.842 1.00 0.00 C ATOM 426 C SER D 28 -1.225 -0.196 6.569 1.00 0.00 C ATOM 427 O SER D 28 -1.717 -1.307 6.380 1.00 0.00 O ATOM 428 CB SER D 28 -2.380 1.093 8.340 1.00 0.00 C ATOM 429 OG SER D 28 -3.253 2.175 8.642 1.00 0.00 O ATOM 0 H SER D 28 -3.815 -0.094 6.336 1.00 0.00 H new ATOM 0 HA SER D 28 -1.640 1.907 6.489 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.815 0.160 8.698 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.435 1.227 8.866 1.00 0.00 H new ATOM 0 HG SER D 28 -3.403 2.214 9.610 1.00 0.00 H new ATOM 435 N LEU D 29 0.080 0.014 6.591 1.00 0.00 N ATOM 436 CA LEU D 29 1.012 -1.077 6.387 1.00 0.00 C ATOM 437 C LEU D 29 2.205 -0.924 7.314 1.00 0.00 C ATOM 438 O LEU D 29 2.785 0.154 7.416 1.00 0.00 O ATOM 439 CB LEU D 29 1.509 -1.116 4.949 1.00 0.00 C ATOM 440 CG LEU D 29 0.420 -1.041 3.883 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.023 -0.747 2.522 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.356 -2.341 3.822 1.00 0.00 C ATOM 0 H LEU D 29 0.514 0.924 6.747 1.00 0.00 H new ATOM 0 HA LEU D 29 0.485 -2.006 6.604 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.201 -0.287 4.798 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.076 -2.035 4.802 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.259 -0.232 4.153 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.230 -0.698 1.776 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.550 0.207 2.556 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.723 -1.539 2.256 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.128 -2.268 3.056 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.322 -3.158 3.577 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.821 -2.533 4.789 1.00 0.00 H new ATOM 454 N SER D 30 2.599 -2.014 7.929 1.00 0.00 N ATOM 455 CA SER D 30 3.765 -2.037 8.789 1.00 0.00 C ATOM 456 C SER D 30 4.568 -3.293 8.502 1.00 0.00 C ATOM 457 O SER D 30 4.236 -4.046 7.585 1.00 0.00 O ATOM 458 CB SER D 30 3.341 -2.000 10.259 1.00 0.00 C ATOM 459 OG SER D 30 2.563 -0.846 10.536 1.00 0.00 O ATOM 0 H SER D 30 2.122 -2.912 7.849 1.00 0.00 H new ATOM 0 HA SER D 30 4.381 -1.160 8.591 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.767 -2.895 10.498 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.225 -2.008 10.896 1.00 0.00 H new ATOM 0 HG SER D 30 2.303 -0.846 11.481 1.00 0.00 H new ATOM 465 N MET D 31 5.595 -3.546 9.292 1.00 0.00 N ATOM 466 CA MET D 31 6.392 -4.742 9.109 1.00 0.00 C ATOM 467 C MET D 31 6.973 -5.207 10.433 1.00 0.00 C ATOM 468 O MET D 31 6.978 -4.467 11.414 1.00 0.00 O ATOM 469 CB MET D 31 7.503 -4.491 8.092 1.00 0.00 C ATOM 470 CG MET D 31 8.493 -3.409 8.502 1.00 0.00 C ATOM 471 SD MET D 31 9.675 -3.023 7.195 1.00 0.00 S ATOM 472 CE MET D 31 10.404 -4.630 6.897 1.00 0.00 C ATOM 0 H MET D 31 5.894 -2.945 10.060 1.00 0.00 H new ATOM 0 HA MET D 31 5.745 -5.531 8.726 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.047 -5.421 7.928 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.052 -4.213 7.139 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.947 -2.505 8.772 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.033 -3.733 9.392 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.467 -4.514 6.683 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.278 -5.256 7.780 1.00 0.00 H new ATOM 0 HE3 MET D 31 9.912 -5.100 6.046 1.00 0.00 H new ATOM 482 N ASN D 32 7.473 -6.431 10.447 1.00 0.00 N ATOM 483 CA ASN D 32 8.077 -6.995 11.645 1.00 0.00 C ATOM 484 C ASN D 32 9.271 -7.857 11.246 1.00 0.00 C ATOM 485 O ASN D 32 9.109 -9.029 10.913 1.00 0.00 O ATOM 486 CB ASN D 32 7.047 -7.837 12.408 1.00 0.00 C ATOM 487 CG ASN D 32 7.549 -8.311 13.763 1.00 0.00 C ATOM 488 OD1 ASN D 32 6.864 -9.063 14.452 1.00 0.00 O ATOM 489 ND2 ASN D 32 8.726 -7.855 14.174 1.00 0.00 N ATOM 0 H ASN D 32 7.473 -7.056 9.641 1.00 0.00 H new ATOM 0 HA ASN D 32 8.414 -6.189 12.297 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.139 -7.250 12.549 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.776 -8.703 11.804 1.00 0.00 H new ATOM 0 HD21 ASN D 32 9.088 -8.128 15.088 1.00 0.00 H new ATOM 0 HD22 ASN D 32 9.269 -7.232 13.576 1.00 0.00 H new ATOM 496 N GLY D 33 10.443 -7.246 11.163 1.00 0.00 N ATOM 497 CA GLY D 33 11.605 -7.963 10.659 1.00 0.00 C ATOM 498 C GLY D 33 11.543 -8.101 9.153 1.00 0.00 C ATOM 499 O GLY D 33 11.718 -7.122 8.434 1.00 0.00 O ATOM 0 H GLY D 33 10.614 -6.277 11.431 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.515 -7.434 10.943 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.655 -8.951 11.117 1.00 0.00 H new ATOM 503 N ASN D 34 11.160 -9.284 8.679 1.00 0.00 N ATOM 504 CA ASN D 34 10.919 -9.499 7.251 1.00 0.00 C ATOM 505 C ASN D 34 9.430 -9.720 7.003 1.00 0.00 C ATOM 506 O ASN D 34 9.037 -10.438 6.085 1.00 0.00 O ATOM 507 CB ASN D 34 11.707 -10.706 6.725 1.00 0.00 C ATOM 508 CG ASN D 34 13.216 -10.519 6.755 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.964 -11.429 6.397 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.675 -9.340 7.157 1.00 0.00 N ATOM 0 H ASN D 34 11.010 -10.109 9.260 1.00 0.00 H new ATOM 0 HA ASN D 34 11.257 -8.610 6.718 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.448 -11.583 7.318 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.397 -10.911 5.700 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.679 -9.163 7.177 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.023 -8.611 7.446 1.00 0.00 H new ATOM 517 N GLN D 35 8.611 -9.145 7.873 1.00 0.00 N ATOM 518 CA GLN D 35 7.161 -9.311 7.814 1.00 0.00 C ATOM 519 C GLN D 35 6.462 -8.170 7.102 1.00 0.00 C ATOM 520 O GLN D 35 7.002 -7.082 6.967 1.00 0.00 O ATOM 521 CB GLN D 35 6.572 -9.454 9.209 1.00 0.00 C ATOM 522 CG GLN D 35 6.703 -10.846 9.796 1.00 0.00 C ATOM 523 CD GLN D 35 5.984 -11.886 8.961 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.779 -11.783 8.733 1.00 0.00 O ATOM 525 NE2 GLN D 35 6.712 -12.889 8.502 1.00 0.00 N ATOM 0 H GLN D 35 8.930 -8.551 8.639 1.00 0.00 H new ATOM 0 HA GLN D 35 6.991 -10.221 7.239 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.063 -8.743 9.874 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.517 -9.183 9.176 1.00 0.00 H new ATOM 0 HG2 GLN D 35 7.758 -11.109 9.872 1.00 0.00 H new ATOM 0 HG3 GLN D 35 6.299 -10.852 10.808 1.00 0.00 H new ATOM 0 HE21 GLN D 35 7.708 -12.935 8.715 1.00 0.00 H new ATOM 0 HE22 GLN D 35 6.277 -13.617 7.935 1.00 0.00 H new ATOM 534 N LEU D 36 5.210 -8.419 6.746 1.00 0.00 N ATOM 535 CA LEU D 36 4.349 -7.406 6.157 1.00 0.00 C ATOM 536 C LEU D 36 3.008 -7.421 6.868 1.00 0.00 C ATOM 537 O LEU D 36 2.446 -8.489 7.122 1.00 0.00 O ATOM 538 CB LEU D 36 4.225 -7.662 4.653 1.00 0.00 C ATOM 539 CG LEU D 36 3.306 -6.734 3.830 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.835 -7.010 4.103 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.618 -5.273 4.107 1.00 0.00 C ATOM 0 H LEU D 36 4.763 -9.329 6.858 1.00 0.00 H new ATOM 0 HA LEU D 36 4.774 -6.410 6.281 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.225 -7.608 4.222 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.874 -8.685 4.517 1.00 0.00 H new ATOM 0 HG LEU D 36 3.501 -6.944 2.778 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.221 -6.336 3.505 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.603 -8.042 3.840 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.625 -6.850 5.160 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.956 -4.641 3.515 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.468 -5.063 5.166 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.654 -5.065 3.839 1.00 0.00 H new ATOM 553 N LYS D 37 2.626 -6.266 7.388 1.00 0.00 N ATOM 554 CA LYS D 37 1.502 -6.192 8.304 1.00 0.00 C ATOM 555 C LYS D 37 0.548 -5.070 7.909 1.00 0.00 C ATOM 556 O LYS D 37 0.810 -3.904 8.175 1.00 0.00 O ATOM 557 CB LYS D 37 2.050 -5.924 9.710 1.00 0.00 C ATOM 558 CG LYS D 37 3.215 -6.835 10.108 1.00 0.00 C ATOM 559 CD LYS D 37 2.817 -8.296 10.298 1.00 0.00 C ATOM 560 CE LYS D 37 1.764 -8.487 11.385 1.00 0.00 C ATOM 561 NZ LYS D 37 2.197 -7.916 12.691 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.076 -5.372 7.192 1.00 0.00 H new ATOM 0 HA LYS D 37 0.949 -7.131 8.274 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.377 -4.886 9.770 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.243 -6.046 10.433 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.989 -6.775 9.342 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.654 -6.464 11.034 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.435 -8.689 9.356 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.703 -8.879 10.551 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.833 -8.014 11.074 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.557 -9.550 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.517 -8.185 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 3.138 -8.285 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.239 -6.879 12.620 1.00 0.00 H new ATOM 575 N ALA D 38 -0.543 -5.424 7.259 1.00 0.00 N ATOM 576 CA ALA D 38 -1.517 -4.442 6.806 1.00 0.00 C ATOM 577 C ALA D 38 -2.692 -4.329 7.750 1.00 0.00 C ATOM 578 O ALA D 38 -3.156 -5.317 8.325 1.00 0.00 O ATOM 579 CB ALA D 38 -2.011 -4.806 5.423 1.00 0.00 C ATOM 0 H ALA D 38 -0.781 -6.389 7.030 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.016 -3.474 6.781 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.740 -4.067 5.091 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.170 -4.824 4.729 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.479 -5.790 5.451 1.00 0.00 H new ATOM 585 N THR D 39 -3.209 -3.120 7.835 1.00 0.00 N ATOM 586 CA THR D 39 -4.384 -2.823 8.621 1.00 0.00 C ATOM 587 C THR D 39 -5.261 -1.808 7.896 1.00 0.00 C ATOM 588 O THR D 39 -4.824 -0.715 7.586 1.00 0.00 O ATOM 589 CB THR D 39 -3.974 -2.291 9.998 1.00 0.00 C ATOM 590 OG1 THR D 39 -2.984 -1.287 9.883 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.452 -3.354 10.941 1.00 0.00 C ATOM 0 H THR D 39 -2.819 -2.309 7.354 1.00 0.00 H new ATOM 0 HA THR D 39 -4.958 -3.739 8.758 1.00 0.00 H new ATOM 0 HB THR D 39 -4.894 -1.889 10.421 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.169 -0.570 10.526 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.184 -2.896 11.893 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.224 -4.106 11.105 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.572 -3.827 10.505 1.00 0.00 H new ATOM 599 N SER D 40 -6.529 -2.114 7.758 1.00 0.00 N ATOM 600 CA SER D 40 -7.483 -1.161 7.216 1.00 0.00 C ATOM 601 C SER D 40 -8.337 -0.682 8.351 1.00 0.00 C ATOM 602 O SER D 40 -8.821 -1.480 9.157 1.00 0.00 O ATOM 603 CB SER D 40 -8.345 -1.804 6.141 1.00 0.00 C ATOM 604 OG SER D 40 -9.057 -2.920 6.650 1.00 0.00 O ATOM 0 H SER D 40 -6.930 -3.017 8.013 1.00 0.00 H new ATOM 0 HA SER D 40 -6.956 -0.328 6.751 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.048 -1.070 5.748 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.716 -2.120 5.309 1.00 0.00 H new ATOM 0 HG SER D 40 -9.145 -2.836 7.622 1.00 0.00 H new ATOM 610 N SER D 41 -8.462 0.612 8.475 1.00 0.00 N ATOM 611 CA SER D 41 -9.193 1.150 9.592 1.00 0.00 C ATOM 612 C SER D 41 -10.630 1.357 9.171 1.00 0.00 C ATOM 613 O SER D 41 -10.897 1.463 7.975 1.00 0.00 O ATOM 614 CB SER D 41 -8.555 2.444 10.100 1.00 0.00 C ATOM 615 OG SER D 41 -9.287 2.991 11.186 1.00 0.00 O ATOM 0 H SER D 41 -8.076 1.302 7.831 1.00 0.00 H new ATOM 0 HA SER D 41 -9.163 0.448 10.425 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.530 2.247 10.413 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.507 3.171 9.289 1.00 0.00 H new ATOM 0 HG SER D 41 -8.854 3.816 11.490 1.00 0.00 H new ATOM 621 N ASN D 42 -11.519 1.165 10.154 1.00 0.00 N ATOM 622 CA ASN D 42 -12.983 1.049 9.992 1.00 0.00 C ATOM 623 C ASN D 42 -13.346 -0.378 9.582 1.00 0.00 C ATOM 624 O ASN D 42 -14.477 -0.820 9.793 1.00 0.00 O ATOM 625 CB ASN D 42 -13.584 2.052 8.983 1.00 0.00 C ATOM 626 CG ASN D 42 -13.636 1.538 7.550 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.277 0.538 7.246 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.975 2.234 6.655 1.00 0.00 N ATOM 0 H ASN D 42 -11.230 1.082 11.129 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.418 1.294 10.961 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.594 2.310 9.302 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -12.997 2.970 9.007 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.986 1.947 5.676 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.451 3.062 6.938 1.00 0.00 H new ATOM 635 N ALA D 43 -12.349 -1.109 9.077 1.00 0.00 N ATOM 636 CA ALA D 43 -12.488 -2.519 8.713 1.00 0.00 C ATOM 637 C ALA D 43 -13.541 -2.774 7.619 1.00 0.00 C ATOM 638 O ALA D 43 -14.390 -3.654 7.782 1.00 0.00 O ATOM 639 CB ALA D 43 -12.802 -3.355 9.948 1.00 0.00 C ATOM 0 H ALA D 43 -11.415 -0.735 8.908 1.00 0.00 H new ATOM 0 HA ALA D 43 -11.529 -2.820 8.292 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -12.903 -4.402 9.663 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -11.994 -3.252 10.672 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -13.734 -3.009 10.394 1.00 0.00 H new ATOM 645 N GLY D 44 -13.356 -2.186 6.431 1.00 0.00 N ATOM 646 CA GLY D 44 -14.174 -2.599 5.300 1.00 0.00 C ATOM 647 C GLY D 44 -14.957 -1.494 4.612 1.00 0.00 C ATOM 648 O GLY D 44 -15.997 -1.766 4.018 1.00 0.00 O ATOM 0 H GLY D 44 -12.674 -1.452 6.237 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.527 -3.074 4.562 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.877 -3.358 5.642 1.00 0.00 H new ATOM 652 N TYR D 45 -14.386 -0.304 4.521 1.00 0.00 N ATOM 653 CA TYR D 45 -14.965 0.753 3.695 1.00 0.00 C ATOM 654 C TYR D 45 -13.991 1.083 2.571 1.00 0.00 C ATOM 655 O TYR D 45 -12.811 0.755 2.662 1.00 0.00 O ATOM 656 CB TYR D 45 -15.262 2.017 4.515 1.00 0.00 C ATOM 657 CG TYR D 45 -16.379 1.891 5.541 1.00 0.00 C ATOM 658 CD1 TYR D 45 -16.951 0.665 5.861 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.834 3.016 6.220 1.00 0.00 C ATOM 660 CE1 TYR D 45 -17.942 0.565 6.817 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.827 2.922 7.173 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.377 1.697 7.468 1.00 0.00 C ATOM 663 OH TYR D 45 -19.366 1.603 8.419 1.00 0.00 O ATOM 0 H TYR D 45 -13.527 -0.043 5.004 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.912 0.397 3.289 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.350 2.315 5.033 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.515 2.823 3.827 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.614 -0.226 5.352 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.402 3.981 5.997 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.374 -0.396 7.053 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.171 3.808 7.686 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.555 2.493 8.783 1.00 0.00 H new ATOM 673 N GLY D 46 -14.481 1.715 1.518 1.00 0.00 N ATOM 674 CA GLY D 46 -13.629 2.067 0.390 1.00 0.00 C ATOM 675 C GLY D 46 -13.360 3.552 0.330 1.00 0.00 C ATOM 676 O GLY D 46 -13.419 4.222 1.352 1.00 0.00 O ATOM 0 H GLY D 46 -15.457 1.994 1.419 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.684 1.530 0.467 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.103 1.746 -0.537 1.00 0.00 H new ATOM 680 N ILE D 47 -13.100 4.072 -0.866 1.00 0.00 N ATOM 681 CA ILE D 47 -12.869 5.507 -1.060 1.00 0.00 C ATOM 682 C ILE D 47 -14.009 6.267 -0.420 1.00 0.00 C ATOM 683 O ILE D 47 -13.825 7.195 0.369 1.00 0.00 O ATOM 684 CB ILE D 47 -12.954 5.930 -2.539 1.00 0.00 C ATOM 685 CG1 ILE D 47 -12.318 4.951 -3.496 1.00 0.00 C ATOM 686 CG2 ILE D 47 -12.381 7.316 -2.744 1.00 0.00 C ATOM 687 CD1 ILE D 47 -13.240 3.809 -3.838 1.00 0.00 C ATOM 0 H ILE D 47 -13.043 3.521 -1.722 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.882 5.713 -0.647 1.00 0.00 H new ATOM 0 HB ILE D 47 -14.018 5.939 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -12.033 5.472 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -11.402 4.557 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -12.454 7.588 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.941 8.034 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.335 7.326 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -12.739 3.131 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.504 3.270 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -14.145 4.199 -4.304 1.00 0.00 H new ATOM 699 N SER D 48 -15.179 5.903 -0.929 1.00 0.00 N ATOM 700 CA SER D 48 -16.452 6.533 -0.640 1.00 0.00 C ATOM 701 C SER D 48 -17.462 6.002 -1.656 1.00 0.00 C ATOM 702 O SER D 48 -18.095 4.966 -1.440 1.00 0.00 O ATOM 703 CB SER D 48 -16.325 8.059 -0.725 1.00 0.00 C ATOM 704 OG SER D 48 -15.852 8.487 -1.999 1.00 0.00 O ATOM 0 H SER D 48 -15.266 5.125 -1.583 1.00 0.00 H new ATOM 0 HA SER D 48 -16.782 6.299 0.372 1.00 0.00 H new ATOM 0 HB2 SER D 48 -17.295 8.515 -0.527 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.644 8.410 0.051 1.00 0.00 H new ATOM 0 HG SER D 48 -15.787 9.465 -2.012 1.00 0.00 H new ATOM 710 N TYR D 49 -17.369 6.549 -2.856 1.00 0.00 N ATOM 711 CA TYR D 49 -18.008 5.990 -4.033 1.00 0.00 C ATOM 712 C TYR D 49 -17.251 6.423 -5.279 1.00 0.00 C ATOM 713 O TYR D 49 -17.681 7.308 -6.017 1.00 0.00 O ATOM 714 CB TYR D 49 -19.485 6.394 -4.114 1.00 0.00 C ATOM 715 CG TYR D 49 -19.797 7.830 -3.680 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.845 8.111 -2.796 1.00 0.00 C ATOM 717 CD2 TYR D 49 -19.048 8.907 -4.150 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.123 9.407 -2.408 1.00 0.00 C ATOM 719 CE2 TYR D 49 -19.326 10.200 -3.762 1.00 0.00 C ATOM 720 CZ TYR D 49 -20.363 10.444 -2.893 1.00 0.00 C ATOM 721 OH TYR D 49 -20.641 11.733 -2.507 1.00 0.00 O ATOM 0 H TYR D 49 -16.842 7.402 -3.041 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.979 4.903 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.825 6.261 -5.141 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -20.066 5.711 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.446 7.301 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -18.232 8.725 -4.833 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.936 9.605 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -18.731 11.019 -4.139 1.00 0.00 H new ATOM 0 HH TYR D 49 -20.011 12.347 -2.939 1.00 0.00 H new ATOM 731 N GLU D 50 -16.094 5.815 -5.486 1.00 0.00 N ATOM 732 CA GLU D 50 -15.237 6.178 -6.603 1.00 0.00 C ATOM 733 C GLU D 50 -14.569 4.966 -7.233 1.00 0.00 C ATOM 734 O GLU D 50 -14.984 3.835 -7.004 1.00 0.00 O ATOM 735 CB GLU D 50 -14.159 7.152 -6.139 1.00 0.00 C ATOM 736 CG GLU D 50 -14.685 8.523 -5.771 1.00 0.00 C ATOM 737 CD GLU D 50 -15.318 9.250 -6.937 1.00 0.00 C ATOM 738 OE1 GLU D 50 -15.872 10.344 -6.719 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.232 8.747 -8.077 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.727 5.069 -4.896 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.873 6.644 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.647 6.727 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.416 7.259 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.420 8.421 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.867 9.125 -5.376 1.00 0.00 H new ATOM 746 N ASP D 51 -13.464 5.224 -7.938 1.00 0.00 N ATOM 747 CA ASP D 51 -12.626 4.168 -8.519 1.00 0.00 C ATOM 748 C ASP D 51 -11.158 4.568 -8.521 1.00 0.00 C ATOM 749 O ASP D 51 -10.767 5.567 -9.123 1.00 0.00 O ATOM 750 CB ASP D 51 -13.091 3.801 -9.923 1.00 0.00 C ATOM 751 CG ASP D 51 -12.070 2.973 -10.671 1.00 0.00 C ATOM 752 OD1 ASP D 51 -11.711 1.887 -10.182 1.00 0.00 O ATOM 753 OD2 ASP D 51 -11.624 3.413 -11.747 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.125 6.168 -8.123 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.732 3.284 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -14.028 3.247 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -13.297 4.712 -10.484 1.00 0.00 H new ATOM 758 N LYS D 52 -10.394 3.857 -7.705 1.00 0.00 N ATOM 759 CA LYS D 52 -9.007 4.172 -7.426 1.00 0.00 C ATOM 760 C LYS D 52 -8.121 2.979 -7.687 1.00 0.00 C ATOM 761 O LYS D 52 -8.125 2.022 -6.922 1.00 0.00 O ATOM 762 CB LYS D 52 -8.866 4.598 -5.972 1.00 0.00 C ATOM 763 CG LYS D 52 -9.188 6.055 -5.710 1.00 0.00 C ATOM 764 CD LYS D 52 -10.560 6.475 -6.209 1.00 0.00 C ATOM 765 CE LYS D 52 -10.828 7.932 -5.877 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.730 8.810 -6.363 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.730 3.030 -7.211 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.698 4.984 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -9.521 3.978 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.845 4.400 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -9.127 6.245 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.431 6.677 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.622 6.325 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -11.326 5.846 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.771 8.242 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -10.938 8.047 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.053 9.798 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.908 8.719 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -9.460 8.527 -7.327 1.00 0.00 H new ATOM 780 N ASN D 53 -7.376 3.028 -8.770 1.00 0.00 N ATOM 781 CA ASN D 53 -6.499 1.929 -9.121 1.00 0.00 C ATOM 782 C ASN D 53 -5.144 2.110 -8.477 1.00 0.00 C ATOM 783 O ASN D 53 -4.576 3.203 -8.488 1.00 0.00 O ATOM 784 CB ASN D 53 -6.366 1.784 -10.635 1.00 0.00 C ATOM 785 CG ASN D 53 -7.686 1.447 -11.314 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.722 1.203 -12.520 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.786 1.461 -10.562 1.00 0.00 N ATOM 0 H ASN D 53 -7.359 3.813 -9.421 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.944 1.009 -8.741 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.975 2.713 -11.051 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.638 1.004 -10.858 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.694 1.266 -10.983 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.720 1.667 -9.565 1.00 0.00 H new ATOM 794 N TRP D 54 -4.680 1.058 -7.830 1.00 0.00 N ATOM 795 CA TRP D 54 -3.444 1.115 -7.078 1.00 0.00 C ATOM 796 C TRP D 54 -2.417 0.136 -7.597 1.00 0.00 C ATOM 797 O TRP D 54 -2.750 -0.815 -8.302 1.00 0.00 O ATOM 798 CB TRP D 54 -3.698 0.817 -5.610 1.00 0.00 C ATOM 799 CG TRP D 54 -3.536 2.009 -4.747 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.302 3.137 -4.692 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.471 2.197 -3.844 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.758 4.017 -3.783 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.626 3.453 -3.256 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.395 1.409 -3.475 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.721 3.930 -2.320 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.519 1.891 -2.546 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.682 3.140 -1.981 1.00 0.00 C ATOM 0 H TRP D 54 -5.144 0.150 -7.811 1.00 0.00 H new ATOM 0 HA TRP D 54 -3.054 2.126 -7.196 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.708 0.424 -5.493 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.012 0.038 -5.278 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.196 3.312 -5.272 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.134 4.934 -3.543 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.251 0.432 -3.913 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.845 4.906 -1.875 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.321 1.282 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.036 3.491 -1.254 1.00 0.00 H new ATOM 818 N GLY D 55 -1.176 0.322 -7.161 1.00 0.00 N ATOM 819 CA GLY D 55 -0.140 -0.611 -7.517 1.00 0.00 C ATOM 820 C GLY D 55 0.936 -0.756 -6.463 1.00 0.00 C ATOM 821 O GLY D 55 1.164 0.124 -5.634 1.00 0.00 O ATOM 0 H GLY D 55 -0.877 1.099 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.590 -1.587 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.320 -0.290 -8.452 1.00 0.00 H new ATOM 825 N ILE D 56 1.627 -1.865 -6.576 1.00 0.00 N ATOM 826 CA ILE D 56 2.765 -2.231 -5.741 1.00 0.00 C ATOM 827 C ILE D 56 3.830 -2.771 -6.676 1.00 0.00 C ATOM 828 O ILE D 56 3.602 -3.781 -7.338 1.00 0.00 O ATOM 829 CB ILE D 56 2.367 -3.339 -4.738 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.223 -2.873 -3.837 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.561 -3.759 -3.892 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.644 -3.985 -2.993 1.00 0.00 C ATOM 0 H ILE D 56 1.409 -2.572 -7.279 1.00 0.00 H new ATOM 0 HA ILE D 56 3.117 -1.369 -5.174 1.00 0.00 H new ATOM 0 HB ILE D 56 2.028 -4.201 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.583 -2.079 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.433 -2.444 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.256 -4.539 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.350 -4.140 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.933 -2.899 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.163 -3.591 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.255 -4.769 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.422 -4.398 -2.351 1.00 0.00 H new ATOM 844 N PHE D 57 4.860 -1.994 -6.931 1.00 0.00 N ATOM 845 CA PHE D 57 5.756 -2.341 -8.019 1.00 0.00 C ATOM 846 C PHE D 57 7.021 -2.989 -7.497 1.00 0.00 C ATOM 847 O PHE D 57 7.986 -2.302 -7.173 1.00 0.00 O ATOM 848 CB PHE D 57 6.100 -1.116 -8.883 1.00 0.00 C ATOM 849 CG PHE D 57 4.890 -0.346 -9.357 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.155 0.460 -8.491 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.453 -0.469 -10.665 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.033 1.114 -8.918 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.326 0.202 -11.098 1.00 0.00 C ATOM 854 CZ PHE D 57 2.617 0.992 -10.217 1.00 0.00 C ATOM 0 H PHE D 57 5.096 -1.143 -6.420 1.00 0.00 H new ATOM 0 HA PHE D 57 5.233 -3.060 -8.649 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.743 -0.448 -8.310 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.673 -1.444 -9.750 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.477 0.570 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.999 -1.096 -11.354 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.473 1.729 -8.229 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.001 0.108 -12.124 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.733 1.515 -10.552 1.00 0.00 H new ATOM 864 N VAL D 58 7.044 -4.315 -7.542 1.00 0.00 N ATOM 865 CA VAL D 58 8.234 -5.078 -7.206 1.00 0.00 C ATOM 866 C VAL D 58 9.080 -5.290 -8.452 1.00 0.00 C ATOM 867 O VAL D 58 8.627 -5.901 -9.420 1.00 0.00 O ATOM 868 CB VAL D 58 7.885 -6.442 -6.573 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.135 -7.262 -6.313 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.120 -6.243 -5.279 1.00 0.00 C ATOM 0 H VAL D 58 6.243 -4.886 -7.811 1.00 0.00 H new ATOM 0 HA VAL D 58 8.797 -4.505 -6.469 1.00 0.00 H new ATOM 0 HB VAL D 58 7.259 -6.987 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL D 58 8.857 -8.217 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.656 -7.439 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL D 58 9.790 -6.720 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL D 58 6.881 -7.214 -4.845 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.731 -5.673 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.197 -5.699 -5.482 1.00 0.00 H new ATOM 880 N ASN D 59 10.273 -4.707 -8.441 1.00 0.00 N ATOM 881 CA ASN D 59 11.180 -4.736 -9.591 1.00 0.00 C ATOM 882 C ASN D 59 10.596 -3.956 -10.760 1.00 0.00 C ATOM 883 O ASN D 59 10.785 -4.324 -11.921 1.00 0.00 O ATOM 884 CB ASN D 59 11.499 -6.171 -10.030 1.00 0.00 C ATOM 885 CG ASN D 59 12.174 -6.973 -8.939 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.224 -6.587 -8.428 1.00 0.00 O ATOM 887 ND2 ASN D 59 11.584 -8.105 -8.587 1.00 0.00 N ATOM 0 H ASN D 59 10.642 -4.200 -7.637 1.00 0.00 H new ATOM 0 HA ASN D 59 12.111 -4.264 -9.276 1.00 0.00 H new ATOM 0 HB2 ASN D 59 10.577 -6.671 -10.326 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.143 -6.144 -10.909 1.00 0.00 H new ATOM 0 HD21 ASN D 59 12.000 -8.694 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN D 59 10.713 -8.388 -9.037 1.00 0.00 H new ATOM 894 N GLY D 60 9.941 -2.843 -10.450 1.00 0.00 N ATOM 895 CA GLY D 60 9.408 -1.977 -11.486 1.00 0.00 C ATOM 896 C GLY D 60 8.007 -2.340 -11.912 1.00 0.00 C ATOM 897 O GLY D 60 7.243 -1.482 -12.357 1.00 0.00 O ATOM 0 H GLY D 60 9.769 -2.524 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.415 -0.948 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.065 -2.016 -12.355 1.00 0.00 H new ATOM 901 N GLU D 61 7.709 -3.621 -11.875 1.00 0.00 N ATOM 902 CA GLU D 61 6.432 -4.118 -12.371 1.00 0.00 C ATOM 903 C GLU D 61 5.383 -4.156 -11.266 1.00 0.00 C ATOM 904 O GLU D 61 5.677 -4.481 -10.115 1.00 0.00 O ATOM 905 CB GLU D 61 6.604 -5.509 -12.993 1.00 0.00 C ATOM 906 CG GLU D 61 7.075 -6.574 -12.016 1.00 0.00 C ATOM 907 CD GLU D 61 7.318 -7.902 -12.687 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.364 -8.462 -13.258 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.466 -8.384 -12.654 1.00 0.00 O1- ATOM 0 H GLU D 61 8.330 -4.342 -11.508 1.00 0.00 H new ATOM 0 HA GLU D 61 6.082 -3.429 -13.140 1.00 0.00 H new ATOM 0 HB2 GLU D 61 5.653 -5.822 -13.424 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.319 -5.442 -13.813 1.00 0.00 H new ATOM 0 HG2 GLU D 61 7.994 -6.240 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.330 -6.698 -11.230 1.00 0.00 H new ATOM 916 N LYS D 62 4.157 -3.810 -11.629 1.00 0.00 N ATOM 917 CA LYS D 62 3.050 -3.791 -10.686 1.00 0.00 C ATOM 918 C LYS D 62 2.612 -5.216 -10.363 1.00 0.00 C ATOM 919 O LYS D 62 1.996 -5.890 -11.188 1.00 0.00 O ATOM 920 CB LYS D 62 1.899 -2.971 -11.275 1.00 0.00 C ATOM 921 CG LYS D 62 0.690 -2.840 -10.365 1.00 0.00 C ATOM 922 CD LYS D 62 -0.367 -1.888 -10.929 1.00 0.00 C ATOM 923 CE LYS D 62 -0.978 -2.366 -12.249 1.00 0.00 C ATOM 924 NZ LYS D 62 -0.016 -2.355 -13.388 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.903 -3.536 -12.578 1.00 0.00 H new ATOM 0 HA LYS D 62 3.365 -3.323 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.266 -1.974 -11.516 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.585 -3.430 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.245 -3.823 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.012 -2.482 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -1.162 -1.764 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.083 -0.907 -11.080 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -1.361 -3.378 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.829 -1.732 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.484 -1.971 -14.234 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.803 -1.761 -13.145 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.305 -3.325 -13.581 1.00 0.00 H new ATOM 938 N VAL D 63 3.056 -5.709 -9.215 1.00 0.00 N ATOM 939 CA VAL D 63 2.845 -7.097 -8.840 1.00 0.00 C ATOM 940 C VAL D 63 1.429 -7.329 -8.303 1.00 0.00 C ATOM 941 O VAL D 63 0.858 -8.410 -8.478 1.00 0.00 O ATOM 942 CB VAL D 63 3.905 -7.543 -7.816 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.799 -6.759 -6.518 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.842 -9.037 -7.555 1.00 0.00 C ATOM 0 H VAL D 63 3.568 -5.162 -8.523 1.00 0.00 H new ATOM 0 HA VAL D 63 2.952 -7.706 -9.738 1.00 0.00 H new ATOM 0 HB VAL D 63 4.879 -7.325 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.564 -7.103 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL D 63 3.944 -5.698 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.813 -6.913 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.606 -9.312 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL D 63 2.858 -9.297 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.017 -9.577 -8.486 1.00 0.00 H new ATOM 954 N TYR D 64 0.838 -6.295 -7.710 1.00 0.00 N ATOM 955 CA TYR D 64 -0.534 -6.383 -7.222 1.00 0.00 C ATOM 956 C TYR D 64 -1.289 -5.086 -7.501 1.00 0.00 C ATOM 957 O TYR D 64 -0.744 -3.994 -7.334 1.00 0.00 O ATOM 958 CB TYR D 64 -0.569 -6.694 -5.723 1.00 0.00 C ATOM 959 CG TYR D 64 -1.976 -6.904 -5.194 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.430 -6.256 -4.049 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.859 -7.749 -5.855 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.721 -6.442 -3.590 1.00 0.00 C ATOM 963 CE2 TYR D 64 -4.146 -7.940 -5.397 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.572 -7.284 -4.266 1.00 0.00 C ATOM 965 OH TYR D 64 -5.860 -7.461 -3.819 1.00 0.00 O ATOM 0 H TYR D 64 1.285 -5.391 -7.557 1.00 0.00 H new ATOM 0 HA TYR D 64 -1.022 -7.199 -7.755 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.023 -7.588 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.100 -5.876 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.764 -5.598 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.531 -8.266 -6.745 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.060 -5.927 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.816 -8.602 -5.925 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.328 -8.087 -4.410 1.00 0.00 H new ATOM 975 N THR D 65 -2.559 -5.216 -7.865 1.00 0.00 N ATOM 976 CA THR D 65 -3.417 -4.068 -8.098 1.00 0.00 C ATOM 977 C THR D 65 -4.624 -4.125 -7.167 1.00 0.00 C ATOM 978 O THR D 65 -5.339 -5.127 -7.141 1.00 0.00 O ATOM 979 CB THR D 65 -3.889 -4.051 -9.535 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.801 -4.153 -10.437 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.680 -2.810 -9.905 1.00 0.00 C ATOM 0 H THR D 65 -3.018 -6.116 -8.005 1.00 0.00 H new ATOM 0 HA THR D 65 -2.847 -3.160 -7.899 1.00 0.00 H new ATOM 0 HB THR D 65 -4.547 -4.916 -9.617 1.00 0.00 H new ATOM 0 HG1 THR D 65 -3.141 -4.302 -11.344 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.984 -2.870 -10.950 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.565 -2.741 -9.273 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.060 -1.926 -9.758 1.00 0.00 H new ATOM 989 N PHE D 66 -4.912 -3.030 -6.477 1.00 0.00 N ATOM 990 CA PHE D 66 -6.111 -2.970 -5.652 1.00 0.00 C ATOM 991 C PHE D 66 -6.812 -1.643 -5.818 1.00 0.00 C ATOM 992 O PHE D 66 -6.190 -0.597 -5.937 1.00 0.00 O ATOM 993 CB PHE D 66 -5.813 -3.280 -4.182 1.00 0.00 C ATOM 994 CG PHE D 66 -4.908 -2.319 -3.447 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.373 -1.081 -3.024 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.598 -2.669 -3.154 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.552 -0.217 -2.324 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.771 -1.806 -2.458 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.249 -0.578 -2.040 1.00 0.00 C ATOM 0 H PHE D 66 -4.342 -2.184 -6.471 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.790 -3.749 -6.000 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.762 -3.328 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.367 -4.273 -4.129 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.389 -0.789 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.219 -3.628 -3.474 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.929 0.741 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.752 -2.091 -2.241 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.606 0.096 -1.494 1.00 0.00 H new ATOM 1009 N ASN D 67 -8.116 -1.708 -5.862 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.932 -0.531 -6.042 1.00 0.00 C ATOM 1011 C ASN D 67 -9.687 -0.259 -4.763 1.00 0.00 C ATOM 1012 O ASN D 67 -10.152 -1.198 -4.136 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.889 -0.732 -7.224 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.690 -2.025 -7.138 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.127 -3.120 -7.071 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -12.005 -1.911 -7.171 1.00 0.00 N ATOM 0 H ASN D 67 -8.645 -2.576 -5.774 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.304 0.331 -6.268 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.578 0.111 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.316 -0.729 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -12.590 -2.746 -7.141 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -12.436 -0.988 -7.227 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.734 1.003 -4.318 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.364 1.319 -3.038 1.00 0.00 C ATOM 1025 C GLU D 68 -11.854 1.018 -3.102 1.00 0.00 C ATOM 1026 O GLU D 68 -12.508 0.864 -2.073 1.00 0.00 O ATOM 1027 CB GLU D 68 -10.146 2.784 -2.641 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.720 3.272 -2.832 1.00 0.00 C ATOM 1029 CD GLU D 68 -8.525 4.690 -2.343 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -9.284 5.580 -2.778 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -7.599 4.921 -1.549 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.350 1.806 -4.817 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.895 0.694 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.816 3.412 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.425 2.911 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -8.038 2.610 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.458 3.216 -3.889 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.347 0.806 -4.325 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.715 0.360 -4.536 1.00 0.00 C ATOM 1040 C LYS D 69 -13.862 -0.964 -3.834 1.00 0.00 C ATOM 1041 O LYS D 69 -14.726 -1.138 -2.973 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.980 0.130 -6.006 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.607 1.293 -6.891 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.930 1.010 -8.359 1.00 0.00 C ATOM 1045 CE LYS D 69 -15.432 0.953 -8.655 1.00 0.00 C ATOM 1046 NZ LYS D 69 -16.127 -0.185 -7.991 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.812 0.938 -5.183 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.408 1.113 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.426 -0.751 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -15.039 -0.091 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -14.142 2.185 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.543 1.504 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.475 1.783 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.475 0.062 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.893 1.887 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.579 0.879 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.905 -0.517 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -15.453 -0.962 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -16.509 0.128 -7.076 1.00 0.00 H new ATOM 1060 N SER D 70 -12.828 -1.780 -4.022 1.00 0.00 N ATOM 1061 CA SER D 70 -12.653 -2.941 -3.201 1.00 0.00 C ATOM 1062 C SER D 70 -12.165 -2.466 -1.856 1.00 0.00 C ATOM 1063 O SER D 70 -11.029 -2.014 -1.727 1.00 0.00 O ATOM 1064 CB SER D 70 -11.667 -3.932 -3.808 1.00 0.00 C ATOM 1065 OG SER D 70 -11.616 -5.127 -3.043 1.00 0.00 O ATOM 0 H SER D 70 -12.111 -1.647 -4.735 1.00 0.00 H new ATOM 0 HA SER D 70 -13.601 -3.472 -3.113 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.961 -4.163 -4.832 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.675 -3.482 -3.855 1.00 0.00 H new ATOM 0 HG SER D 70 -12.381 -5.695 -3.272 1.00 0.00 H new ATOM 1071 N THR D 71 -13.084 -2.437 -0.914 1.00 0.00 N ATOM 1072 CA THR D 71 -12.844 -1.877 0.403 1.00 0.00 C ATOM 1073 C THR D 71 -11.445 -2.212 0.910 1.00 0.00 C ATOM 1074 O THR D 71 -11.033 -3.373 0.876 1.00 0.00 O ATOM 1075 CB THR D 71 -13.891 -2.416 1.356 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.879 -3.833 1.380 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.293 -1.975 1.002 1.00 0.00 C ATOM 0 H THR D 71 -14.027 -2.804 -1.040 1.00 0.00 H new ATOM 0 HA THR D 71 -12.913 -0.791 0.342 1.00 0.00 H new ATOM 0 HB THR D 71 -13.628 -2.009 2.333 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.563 -4.155 2.004 1.00 0.00 H new ATOM 0 HG21 THR D 71 -15.998 -2.393 1.721 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.350 -0.887 1.029 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.543 -2.327 0.001 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.718 -1.195 1.380 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.381 -1.378 1.906 1.00 0.00 C ATOM 1087 C VAL D 72 -9.335 -2.447 2.989 1.00 0.00 C ATOM 1088 O VAL D 72 -8.290 -3.029 3.242 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.763 -0.059 2.419 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.709 0.426 1.451 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.813 1.026 2.537 1.00 0.00 C ATOM 0 H VAL D 72 -11.046 -0.229 1.403 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.774 -1.721 1.068 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.330 -0.260 3.399 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.277 1.357 1.819 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.925 -0.326 1.359 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -8.163 0.598 0.475 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.349 1.943 2.900 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.260 1.208 1.560 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.587 0.709 3.236 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.510 -2.820 3.482 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.635 -3.948 4.361 1.00 0.00 C ATOM 1103 C GLY D 73 -10.436 -5.257 3.643 1.00 0.00 C ATOM 1104 O GLY D 73 -9.481 -5.979 3.912 1.00 0.00 O ATOM 0 H GLY D 73 -11.389 -2.345 3.278 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.904 -3.862 5.165 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.621 -3.937 4.825 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.322 -5.529 2.686 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.237 -6.739 1.859 1.00 0.00 C ATOM 1110 C ASN D 74 -9.879 -6.839 1.193 1.00 0.00 C ATOM 1111 O ASN D 74 -9.370 -7.930 0.943 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.330 -6.719 0.781 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.305 -7.954 -0.098 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.484 -9.072 0.379 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.083 -7.759 -1.390 1.00 0.00 N ATOM 0 H ASN D 74 -12.113 -4.925 2.461 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.378 -7.604 2.507 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.306 -6.638 1.260 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.206 -5.832 0.159 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.056 -8.554 -2.029 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -11.939 -6.814 -1.746 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.305 -5.689 0.907 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.011 -5.619 0.251 1.00 0.00 C ATOM 1124 C ILE D 75 -6.861 -5.831 1.217 1.00 0.00 C ATOM 1125 O ILE D 75 -5.869 -6.455 0.875 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.871 -4.282 -0.452 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.834 -4.252 -1.652 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.432 -4.008 -0.866 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.536 -5.334 -2.671 1.00 0.00 C ATOM 0 H ILE D 75 -9.717 -4.781 1.120 1.00 0.00 H new ATOM 0 HA ILE D 75 -7.964 -6.428 -0.478 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.138 -3.482 0.238 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.857 -4.368 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.774 -3.277 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.375 -3.041 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.795 -3.997 0.018 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.094 -4.789 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.247 -5.264 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.524 -5.205 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.623 -6.313 -2.199 1.00 0.00 H new ATOM 1141 N SER D 76 -6.998 -5.337 2.424 1.00 0.00 N ATOM 1142 CA SER D 76 -5.954 -5.531 3.422 1.00 0.00 C ATOM 1143 C SER D 76 -5.952 -6.956 3.934 1.00 0.00 C ATOM 1144 O SER D 76 -4.882 -7.502 4.209 1.00 0.00 O ATOM 1145 CB SER D 76 -6.087 -4.527 4.559 1.00 0.00 C ATOM 1146 OG SER D 76 -5.208 -4.819 5.631 1.00 0.00 O ATOM 0 H SER D 76 -7.807 -4.804 2.744 1.00 0.00 H new ATOM 0 HA SER D 76 -4.992 -5.353 2.942 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.880 -3.525 4.184 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.114 -4.525 4.923 1.00 0.00 H new ATOM 0 HG SER D 76 -5.323 -4.151 6.339 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.074 -7.644 3.755 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.052 -9.086 3.880 1.00 0.00 C ATOM 1154 C ASN D 77 -6.108 -9.629 2.825 1.00 0.00 C ATOM 1155 O ASN D 77 -5.200 -10.393 3.139 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.444 -9.711 3.718 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.355 -9.449 4.903 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.664 -8.306 5.231 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -9.793 -10.515 5.554 1.00 0.00 N ATOM 0 H ASN D 77 -7.982 -7.237 3.530 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.713 -9.347 4.883 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -8.910 -9.317 2.815 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.339 -10.787 3.579 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -10.410 -10.403 6.359 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -9.514 -11.448 5.251 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.254 -9.127 1.593 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.334 -9.473 0.507 1.00 0.00 C ATOM 1168 C ASP D 78 -3.900 -9.080 0.797 1.00 0.00 C ATOM 1169 O ASP D 78 -2.979 -9.737 0.331 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.739 -8.867 -0.839 1.00 0.00 C ATOM 1171 CG ASP D 78 -6.999 -9.475 -1.399 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.018 -10.700 -1.629 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.969 -8.729 -1.620 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.998 -8.482 1.325 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.400 -10.559 0.442 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -5.881 -7.793 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -4.927 -9.004 -1.553 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.687 -7.962 1.460 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.328 -7.501 1.645 1.00 0.00 C ATOM 1180 C ILE D 79 -1.566 -8.457 2.555 1.00 0.00 C ATOM 1181 O ILE D 79 -0.372 -8.697 2.363 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.248 -6.055 2.208 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.073 -5.086 1.359 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.798 -5.588 2.218 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.534 -4.897 -0.039 1.00 0.00 C ATOM 0 H ILE D 79 -4.412 -7.372 1.868 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.867 -7.483 0.657 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.650 -6.065 3.221 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.098 -5.452 1.298 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.109 -4.118 1.859 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.745 -4.574 2.613 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.206 -6.254 2.846 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.404 -5.602 1.202 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.169 -4.197 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -1.520 -4.501 0.013 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.524 -5.856 -0.558 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.287 -9.086 3.472 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.707 -10.098 4.320 1.00 0.00 C ATOM 1199 C ASN D 80 -1.513 -11.413 3.564 1.00 0.00 C ATOM 1200 O ASN D 80 -0.693 -12.238 3.966 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.576 -10.306 5.553 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.625 -9.075 6.441 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.592 -8.583 6.900 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.824 -8.575 6.698 1.00 0.00 N ATOM 0 H ASN D 80 -3.277 -8.907 3.642 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.722 -9.755 4.637 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.588 -10.566 5.241 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.192 -11.150 6.127 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.917 -7.753 7.295 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.655 -9.012 6.299 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.171 -11.556 2.408 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.933 -12.726 1.556 1.00 0.00 C ATOM 1213 C LYS D 81 -0.621 -12.509 0.826 1.00 0.00 C ATOM 1214 O LYS D 81 0.322 -13.292 0.933 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.987 -12.919 0.451 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.390 -12.404 0.721 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.036 -13.008 1.953 1.00 0.00 C ATOM 1218 CE LYS D 81 -6.554 -12.880 1.903 1.00 0.00 C ATOM 1219 NZ LYS D 81 -7.137 -13.593 0.736 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.857 -10.893 2.047 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.952 -13.594 2.214 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.619 -12.434 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.056 -13.985 0.235 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -4.354 -11.321 0.835 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -5.017 -12.612 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.760 -14.060 2.032 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -4.656 -12.511 2.846 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -6.982 -13.280 2.822 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.827 -11.826 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -8.112 -13.880 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -7.140 -12.962 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -6.567 -14.437 0.525 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.646 -11.465 -0.001 1.00 0.00 N ATOM 1234 CA LEU D 82 0.438 -11.097 -0.898 1.00 0.00 C ATOM 1235 C LEU D 82 1.801 -11.037 -0.215 1.00 0.00 C ATOM 1236 O LEU D 82 2.819 -11.273 -0.863 1.00 0.00 O ATOM 1237 CB LEU D 82 0.094 -9.766 -1.541 1.00 0.00 C ATOM 1238 CG LEU D 82 -0.910 -9.849 -2.700 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.251 -10.443 -3.931 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.142 -10.670 -2.354 1.00 0.00 C ATOM 0 H LEU D 82 -1.447 -10.836 -0.064 1.00 0.00 H new ATOM 0 HA LEU D 82 0.531 -11.878 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.310 -9.103 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU D 82 1.013 -9.308 -1.907 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.233 -8.827 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -0.976 -10.495 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.588 -9.816 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU D 82 0.110 -11.446 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.816 -10.694 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.842 -11.687 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.653 -10.219 -1.503 1.00 0.00 H new ATOM 1252 N ASN D 83 1.807 -10.781 1.097 1.00 0.00 N ATOM 1253 CA ASN D 83 3.043 -10.756 1.889 1.00 0.00 C ATOM 1254 C ASN D 83 4.074 -9.838 1.232 1.00 0.00 C ATOM 1255 O ASN D 83 5.055 -10.300 0.654 1.00 0.00 O ATOM 1256 CB ASN D 83 3.612 -12.176 2.019 1.00 0.00 C ATOM 1257 CG ASN D 83 4.780 -12.282 2.987 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.409 -13.335 3.092 1.00 0.00 O ATOM 1259 ND2 ASN D 83 5.056 -11.217 3.730 1.00 0.00 N ATOM 0 H ASN D 83 0.964 -10.587 1.637 1.00 0.00 H new ATOM 0 HA ASN D 83 2.815 -10.372 2.883 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.818 -12.847 2.347 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.934 -12.520 1.036 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.811 -11.255 4.415 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.513 -10.361 3.616 1.00 0.00 H new ATOM 1266 N ILE D 84 3.773 -8.550 1.213 1.00 0.00 N ATOM 1267 CA ILE D 84 4.597 -7.584 0.498 1.00 0.00 C ATOM 1268 C ILE D 84 5.881 -7.247 1.267 1.00 0.00 C ATOM 1269 O ILE D 84 5.881 -6.372 2.131 1.00 0.00 O ATOM 1270 CB ILE D 84 3.795 -6.291 0.228 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.501 -6.610 -0.527 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.623 -5.296 -0.568 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.734 -7.235 -1.887 1.00 0.00 C ATOM 0 H ILE D 84 2.963 -8.147 1.685 1.00 0.00 H new ATOM 0 HA ILE D 84 4.884 -8.040 -0.449 1.00 0.00 H new ATOM 0 HB ILE D 84 3.545 -5.845 1.191 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.895 -7.286 0.076 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.926 -5.692 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.037 -4.394 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.522 -5.040 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.905 -5.739 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.775 -7.434 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.313 -6.551 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.282 -8.170 -1.769 1.00 0.00 H new ATOM 1285 N LYS D 85 6.996 -7.871 0.880 1.00 0.00 N ATOM 1286 CA LYS D 85 8.295 -7.542 1.471 1.00 0.00 C ATOM 1287 C LYS D 85 9.484 -7.891 0.566 1.00 0.00 C ATOM 1288 O LYS D 85 10.085 -8.959 0.667 1.00 0.00 O ATOM 1289 CB LYS D 85 8.444 -8.156 2.882 1.00 0.00 C ATOM 1290 CG LYS D 85 7.806 -9.540 3.139 1.00 0.00 C ATOM 1291 CD LYS D 85 8.453 -10.720 2.407 1.00 0.00 C ATOM 1292 CE LYS D 85 8.010 -10.841 0.953 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.609 -12.027 0.286 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.026 -8.600 0.167 1.00 0.00 H new ATOM 0 HA LYS D 85 8.315 -6.457 1.574 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.509 -8.232 3.103 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.019 -7.454 3.599 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.838 -9.740 4.210 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.755 -9.493 2.854 1.00 0.00 H new ATOM 0 HD2 LYS D 85 9.537 -10.611 2.442 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.209 -11.643 2.932 1.00 0.00 H new ATOM 0 HE2 LYS D 85 6.923 -10.911 0.910 1.00 0.00 H new ATOM 0 HE3 LYS D 85 8.293 -9.939 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 8.282 -12.072 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.646 -11.949 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.318 -12.891 0.787 1.00 0.00 H new ATOM 1307 N GLY D 86 9.891 -6.913 -0.233 1.00 0.00 N ATOM 1308 CA GLY D 86 11.073 -7.046 -1.067 1.00 0.00 C ATOM 1309 C GLY D 86 10.898 -8.038 -2.196 1.00 0.00 C ATOM 1310 O GLY D 86 10.129 -8.997 -2.089 1.00 0.00 O ATOM 0 H GLY D 86 9.415 -6.015 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.327 -6.072 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.914 -7.356 -0.447 1.00 0.00 H new ATOM 1314 N PRO D 87 11.609 -7.834 -3.310 1.00 0.00 N ATOM 1315 CA PRO D 87 12.531 -6.711 -3.481 1.00 0.00 C ATOM 1316 C PRO D 87 11.857 -5.477 -4.096 1.00 0.00 C ATOM 1317 O PRO D 87 10.671 -5.527 -4.399 1.00 0.00 O ATOM 1318 CB PRO D 87 13.552 -7.307 -4.433 1.00 0.00 C ATOM 1319 CG PRO D 87 12.765 -8.215 -5.317 1.00 0.00 C ATOM 1320 CD PRO D 87 11.578 -8.693 -4.504 1.00 0.00 C ATOM 0 HA PRO D 87 12.941 -6.343 -2.540 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.055 -6.531 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.325 -7.853 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.434 -7.691 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.373 -9.058 -5.646 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.644 -8.581 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.670 -9.747 -4.242 1.00 0.00 H new ATOM 1328 N TYR D 88 12.651 -4.402 -4.280 1.00 0.00 N ATOM 1329 CA TYR D 88 12.219 -3.110 -4.883 1.00 0.00 C ATOM 1330 C TYR D 88 10.703 -2.927 -4.922 1.00 0.00 C ATOM 1331 O TYR D 88 10.059 -3.356 -5.873 1.00 0.00 O ATOM 1332 CB TYR D 88 12.744 -2.981 -6.321 1.00 0.00 C ATOM 1333 CG TYR D 88 14.250 -2.947 -6.466 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.053 -3.923 -5.899 1.00 0.00 C ATOM 1335 CD2 TYR D 88 14.863 -1.932 -7.184 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.427 -3.891 -6.043 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.234 -1.889 -7.334 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.012 -2.870 -6.760 1.00 0.00 C ATOM 1339 OH TYR D 88 18.379 -2.830 -6.908 1.00 0.00 O ATOM 0 H TYR D 88 13.634 -4.401 -4.009 1.00 0.00 H new ATOM 0 HA TYR D 88 12.638 -2.339 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.359 -3.817 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.334 -2.071 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.597 -4.723 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.256 -1.160 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.038 -4.661 -5.596 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.694 -1.091 -7.898 1.00 0.00 H new ATOM 0 HH TYR D 88 18.627 -2.047 -7.442 1.00 0.00 H new ATOM 1349 N ILE D 89 10.136 -2.302 -3.899 1.00 0.00 N ATOM 1350 CA ILE D 89 8.689 -2.102 -3.844 1.00 0.00 C ATOM 1351 C ILE D 89 8.294 -0.636 -3.993 1.00 0.00 C ATOM 1352 O ILE D 89 8.899 0.249 -3.385 1.00 0.00 O ATOM 1353 CB ILE D 89 8.115 -2.654 -2.524 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.424 -4.150 -2.405 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.612 -2.447 -2.463 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.943 -4.742 -1.106 1.00 0.00 C ATOM 0 H ILE D 89 10.648 -1.927 -3.101 1.00 0.00 H new ATOM 0 HA ILE D 89 8.269 -2.648 -4.689 1.00 0.00 H new ATOM 0 HB ILE D 89 8.580 -2.115 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.958 -4.680 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.500 -4.303 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.228 -2.844 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.389 -1.382 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.139 -2.966 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.189 -5.804 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.429 -4.234 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.863 -4.617 -1.027 1.00 0.00 H new ATOM 1368 N GLU D 90 7.183 -0.412 -4.694 1.00 0.00 N ATOM 1369 CA GLU D 90 6.588 0.919 -4.793 1.00 0.00 C ATOM 1370 C GLU D 90 5.074 0.818 -4.634 1.00 0.00 C ATOM 1371 O GLU D 90 4.365 0.540 -5.598 1.00 0.00 O ATOM 1372 CB GLU D 90 6.893 1.561 -6.147 1.00 0.00 C ATOM 1373 CG GLU D 90 8.362 1.542 -6.532 1.00 0.00 C ATOM 1374 CD GLU D 90 8.603 2.116 -7.907 1.00 0.00 C ATOM 1375 OE1 GLU D 90 9.765 2.134 -8.347 1.00 0.00 O ATOM 1376 OE2 GLU D 90 7.626 2.550 -8.551 1.00 0.00 O1- ATOM 0 H GLU D 90 6.677 -1.137 -5.202 1.00 0.00 H new ATOM 0 HA GLU D 90 7.015 1.536 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.321 1.044 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.547 2.594 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.935 2.110 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.730 0.517 -6.499 1.00 0.00 H new ATOM 1383 N ILE D 91 4.582 1.017 -3.426 1.00 0.00 N ATOM 1384 CA ILE D 91 3.154 0.924 -3.160 1.00 0.00 C ATOM 1385 C ILE D 91 2.555 2.338 -3.194 1.00 0.00 C ATOM 1386 O ILE D 91 2.748 3.114 -2.258 1.00 0.00 O ATOM 1387 CB ILE D 91 2.900 0.271 -1.774 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.881 -0.866 -1.522 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.498 -0.306 -1.675 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.669 -1.546 -0.185 1.00 0.00 C ATOM 0 H ILE D 91 5.149 1.245 -2.610 1.00 0.00 H new ATOM 0 HA ILE D 91 2.682 0.301 -3.920 1.00 0.00 H new ATOM 0 HB ILE D 91 3.029 1.061 -1.034 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.785 -1.604 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.898 -0.478 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.358 -0.754 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.766 0.489 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.363 -1.067 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.398 -2.347 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.793 -0.818 0.617 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.663 -1.963 -0.144 1.00 0.00 H new ATOM 1402 N LYS D 92 1.807 2.666 -4.258 1.00 0.00 N ATOM 1403 CA LYS D 92 1.162 3.975 -4.383 1.00 0.00 C ATOM 1404 C LYS D 92 0.057 3.886 -5.429 1.00 0.00 C ATOM 1405 O LYS D 92 -0.016 2.899 -6.166 1.00 0.00 O ATOM 1406 CB LYS D 92 2.176 5.072 -4.766 1.00 0.00 C ATOM 1407 CG LYS D 92 2.314 5.349 -6.265 1.00 0.00 C ATOM 1408 CD LYS D 92 2.824 4.171 -7.085 1.00 0.00 C ATOM 1409 CE LYS D 92 2.781 4.527 -8.568 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.744 3.749 -9.386 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.636 2.039 -5.044 1.00 0.00 H new ATOM 0 HA LYS D 92 0.738 4.249 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.888 5.998 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.154 4.791 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.343 5.653 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS D 92 2.991 6.192 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.843 3.922 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.212 3.289 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.773 4.357 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.991 5.590 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.814 4.170 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.679 3.765 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.415 2.766 -9.467 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.766 4.924 -5.549 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.793 4.911 -6.578 1.00 0.00 C ATOM 1426 C GLN D 93 -1.223 5.345 -7.909 1.00 0.00 C ATOM 1427 O GLN D 93 -0.082 5.795 -8.003 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.988 5.780 -6.238 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.654 7.246 -6.159 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.870 8.107 -5.897 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.502 8.007 -4.848 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.213 8.948 -6.859 1.00 0.00 N ATOM 0 H GLN D 93 -0.743 5.760 -4.965 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.143 3.881 -6.639 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.763 5.631 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.404 5.457 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.923 7.406 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.186 7.559 -7.092 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.659 8.998 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -5.031 9.546 -6.746 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.979 5.069 -8.943 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.526 5.261 -10.299 1.00 0.00 C ATOM 1443 C ILE D 94 -2.578 5.980 -11.134 1.00 0.00 C ATOM 1444 O ILE D 94 -3.597 6.407 -10.561 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.217 3.896 -10.904 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.413 2.981 -10.684 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.038 3.300 -10.290 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.212 1.567 -11.151 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.377 6.119 -12.353 1.00 0.00 O ATOM 0 H ILE D 94 -2.928 4.704 -8.868 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.630 5.882 -10.294 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.034 4.007 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.653 2.968 -9.621 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.276 3.401 -11.201 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.236 2.327 -10.739 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.883 3.963 -10.474 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.103 3.182 -9.216 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.114 0.987 -10.955 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.004 1.563 -12.221 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.372 1.123 -10.616 1.00 0.00 H new