USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 663 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: B 64 TYR OH : rot -71:sc= 0.752 USER MOD Set 1.2: B 76 SER OG : rot -28:sc= -0.412! USER MOD Set 2.1: B 62 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.176) USER MOD Set 2.2: B 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 53 ASN : amide:sc= -2.79! C(o=-5.2!,f=-5.7!) USER MOD Set 3.2: B 67 ASN : amide:sc= -2.36! C(o=-5.2!,f=-5.8!) USER MOD Set 4.1: B 32 ASN : amide:sc= -0.0479 X(o=-0.58,f=-0.79) USER MOD Set 4.2: B 35 GLN : amide:sc= -0.534 X(o=-0.58,f=-0.79!) USER MOD Set 5.1: B 14 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.087) USER MOD Set 5.2: B 31 MET CE :methyl 179:sc= 0 (180deg=-0.000537) USER MOD Set 6.1: B 24 LYS NZ :NH3+ -167:sc= 1.78 (180deg=1.06) USER MOD Set 6.2: B 49 TYR OH : rot 173:sc= -0.458 USER MOD Single : B 10 MET CE :methyl -165:sc= -0.0187 (180deg=-0.298) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 12 SER OG : rot 153:sc= 1.31 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN :FLIP amide:sc= -0.15 F(o=-1.8,f=-0.15) USER MOD Single : B 19 LYS NZ :NH3+ 151:sc= -0.166 (180deg=-0.739) USER MOD Single : B 21 ASN : amide:sc= -0.0442 K(o=-0.044,f=-0.76) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= -0.309 USER MOD Single : B 34 ASN : amide:sc= -5.16! C(o=-5.2!,f=-6.9!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot -150:sc= -0.133 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.00475 USER MOD Single : B 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0326) USER MOD Single : B 59 ASN :FLIP amide:sc= -1.95 F(o=-2.8!,f=-1.9) USER MOD Single : B 69 LYS NZ :NH3+ 166:sc= -0.0555 (180deg=-0.396) USER MOD Single : B 70 SER OG : rot 180:sc= -0.4 USER MOD Single : B 71 THR OG1 : rot -5:sc= 1.21 USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 77 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-0.95) USER MOD Single : B 80 ASN :FLIP amide:sc= -2.84! C(o=-4.5!,f=-2.8!) USER MOD Single : B 81 LYS NZ :NH3+ -138:sc= 1.25 (180deg=0.998) USER MOD Single : B 83 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.24) USER MOD Single : B 85 LYS NZ :NH3+ -164:sc= -0.0644 (180deg=-0.423) USER MOD Single : B 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 12.364 1.910 3.662 1.00 0.00 N ATOM 145 CA MET B 10 11.844 2.998 4.476 1.00 0.00 C ATOM 146 C MET B 10 10.721 2.490 5.365 1.00 0.00 C ATOM 147 O MET B 10 9.879 1.729 4.905 1.00 0.00 O ATOM 148 CB MET B 10 11.343 4.140 3.590 1.00 0.00 C ATOM 149 CG MET B 10 12.446 4.805 2.782 1.00 0.00 C ATOM 150 SD MET B 10 13.677 5.620 3.820 1.00 0.00 S ATOM 151 CE MET B 10 12.727 6.982 4.496 1.00 0.00 C ATOM 0 HA MET B 10 12.649 3.379 5.105 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.585 3.755 2.908 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.858 4.890 4.215 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.938 4.056 2.162 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.004 5.538 2.106 1.00 0.00 H new ATOM 0 HE1 MET B 10 13.404 7.716 4.934 1.00 0.00 H new ATOM 0 HE2 MET B 10 12.148 7.452 3.701 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.051 6.608 5.265 1.00 0.00 H new ATOM 161 N ASN B 11 10.735 2.942 6.626 1.00 0.00 N ATOM 162 CA ASN B 11 9.819 2.519 7.710 1.00 0.00 C ATOM 163 C ASN B 11 8.368 2.274 7.270 1.00 0.00 C ATOM 164 O ASN B 11 7.637 1.495 7.896 1.00 0.00 O ATOM 165 CB ASN B 11 9.833 3.588 8.804 1.00 0.00 C ATOM 166 CG ASN B 11 8.972 3.235 10.006 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.795 3.593 10.070 1.00 0.00 O ATOM 168 ND2 ASN B 11 9.558 2.544 10.970 1.00 0.00 N ATOM 0 H ASN B 11 11.409 3.641 6.938 1.00 0.00 H new ATOM 0 HA ASN B 11 10.189 1.557 8.064 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.860 3.744 9.135 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.487 4.532 8.383 1.00 0.00 H new ATOM 0 HD21 ASN B 11 9.032 2.288 11.806 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.535 2.267 10.877 1.00 0.00 H new ATOM 175 N SER B 12 7.965 2.913 6.192 1.00 0.00 N ATOM 176 CA SER B 12 6.604 2.832 5.704 1.00 0.00 C ATOM 177 C SER B 12 6.213 1.404 5.313 1.00 0.00 C ATOM 178 O SER B 12 5.041 1.152 5.048 1.00 0.00 O ATOM 179 CB SER B 12 6.446 3.758 4.502 1.00 0.00 C ATOM 180 OG SER B 12 6.986 5.040 4.784 1.00 0.00 O ATOM 0 H SER B 12 8.574 3.505 5.627 1.00 0.00 H new ATOM 0 HA SER B 12 5.940 3.140 6.511 1.00 0.00 H new ATOM 0 HB2 SER B 12 6.950 3.328 3.636 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.391 3.851 4.244 1.00 0.00 H new ATOM 0 HG SER B 12 7.280 5.462 3.950 1.00 0.00 H new ATOM 186 N ILE B 13 7.183 0.475 5.282 1.00 0.00 N ATOM 187 CA ILE B 13 6.910 -0.898 4.864 1.00 0.00 C ATOM 188 C ILE B 13 5.724 -1.454 5.637 1.00 0.00 C ATOM 189 O ILE B 13 4.706 -1.856 5.071 1.00 0.00 O ATOM 190 CB ILE B 13 8.075 -1.888 5.104 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.413 -1.180 5.177 1.00 0.00 C ATOM 192 CG2 ILE B 13 8.102 -2.943 4.009 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.705 -0.706 6.568 1.00 0.00 C ATOM 0 H ILE B 13 8.153 0.654 5.540 1.00 0.00 H new ATOM 0 HA ILE B 13 6.729 -0.824 3.792 1.00 0.00 H new ATOM 0 HB ILE B 13 7.903 -2.369 6.067 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.202 -1.856 4.848 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.415 -0.331 4.494 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.926 -3.633 4.189 1.00 0.00 H new ATOM 0 HG22 ILE B 13 7.161 -3.493 4.010 1.00 0.00 H new ATOM 0 HG23 ILE B 13 8.238 -2.460 3.042 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.672 -0.203 6.585 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.928 -0.011 6.886 1.00 0.00 H new ATOM 0 HD13 ILE B 13 9.728 -1.559 7.246 1.00 0.00 H new ATOM 205 N ASN B 14 5.878 -1.446 6.949 1.00 0.00 N ATOM 206 CA ASN B 14 4.884 -1.991 7.851 1.00 0.00 C ATOM 207 C ASN B 14 3.750 -1.004 8.038 1.00 0.00 C ATOM 208 O ASN B 14 2.616 -1.393 8.309 1.00 0.00 O ATOM 209 CB ASN B 14 5.524 -2.313 9.197 1.00 0.00 C ATOM 210 CG ASN B 14 6.715 -3.246 9.055 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.568 -4.468 9.067 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.904 -2.674 8.929 1.00 0.00 N ATOM 0 H ASN B 14 6.698 -1.060 7.418 1.00 0.00 H new ATOM 0 HA ASN B 14 4.483 -2.908 7.420 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.844 -1.388 9.676 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.782 -2.771 9.851 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.740 -3.251 8.837 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.983 -1.657 8.924 1.00 0.00 H new ATOM 219 N SER B 15 4.060 0.278 7.889 1.00 0.00 N ATOM 220 CA SER B 15 3.056 1.317 8.006 1.00 0.00 C ATOM 221 C SER B 15 1.966 1.143 6.950 1.00 0.00 C ATOM 222 O SER B 15 0.789 1.328 7.237 1.00 0.00 O ATOM 223 CB SER B 15 3.711 2.690 7.886 1.00 0.00 C ATOM 224 OG SER B 15 4.809 2.798 8.779 1.00 0.00 O ATOM 0 H SER B 15 5.000 0.619 7.687 1.00 0.00 H new ATOM 0 HA SER B 15 2.586 1.237 8.986 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.050 2.849 6.862 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.980 3.468 8.104 1.00 0.00 H new ATOM 0 HG SER B 15 5.219 3.684 8.688 1.00 0.00 H new ATOM 230 N VAL B 16 2.361 0.758 5.738 1.00 0.00 N ATOM 231 CA VAL B 16 1.398 0.503 4.667 1.00 0.00 C ATOM 232 C VAL B 16 0.589 -0.750 4.985 1.00 0.00 C ATOM 233 O VAL B 16 -0.638 -0.772 4.850 1.00 0.00 O ATOM 234 CB VAL B 16 2.081 0.322 3.294 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.050 0.022 2.220 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.890 1.551 2.914 1.00 0.00 C ATOM 0 H VAL B 16 3.336 0.616 5.473 1.00 0.00 H new ATOM 0 HA VAL B 16 0.747 1.375 4.608 1.00 0.00 H new ATOM 0 HB VAL B 16 2.764 -0.523 3.373 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.551 -0.102 1.260 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.517 -0.895 2.473 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.341 0.847 2.155 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.358 1.392 1.943 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.232 2.418 2.862 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.661 1.725 3.664 1.00 0.00 H new ATOM 246 N ASN B 17 1.300 -1.785 5.415 1.00 0.00 N ATOM 247 CA ASN B 17 0.688 -3.038 5.849 1.00 0.00 C ATOM 248 C ASN B 17 -0.390 -2.777 6.899 1.00 0.00 C ATOM 249 O ASN B 17 -1.513 -3.263 6.778 1.00 0.00 O ATOM 250 CB ASN B 17 1.778 -3.961 6.414 1.00 0.00 C ATOM 251 CG ASN B 17 1.253 -5.170 7.179 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.127 -5.725 6.760 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 1.878 -5.612 8.140 1.00 0.00 N flip ATOM 0 H ASN B 17 2.318 -1.781 5.473 1.00 0.00 H new ATOM 0 HA ASN B 17 0.212 -3.520 4.995 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.401 -4.311 5.591 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.420 -3.380 7.076 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.743 -5.160 8.437 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.532 -6.431 8.641 1.00 0.00 H new ATOM 260 N ASP B 18 -0.047 -1.988 7.904 1.00 0.00 N ATOM 261 CA ASP B 18 -0.945 -1.712 9.001 1.00 0.00 C ATOM 262 C ASP B 18 -2.042 -0.734 8.601 1.00 0.00 C ATOM 263 O ASP B 18 -3.153 -0.803 9.119 1.00 0.00 O ATOM 264 CB ASP B 18 -0.152 -1.165 10.181 1.00 0.00 C ATOM 265 CG ASP B 18 0.112 -2.220 11.231 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.855 -2.653 11.893 1.00 0.00 O ATOM 267 OD2 ASP B 18 1.283 -2.623 11.404 1.00 0.00 O1- ATOM 0 H ASP B 18 0.859 -1.525 7.978 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.431 -2.645 9.286 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.797 -0.765 9.824 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.699 -0.336 10.631 1.00 0.00 H new ATOM 272 N LYS B 19 -1.722 0.179 7.690 1.00 0.00 N ATOM 273 CA LYS B 19 -2.668 1.142 7.183 1.00 0.00 C ATOM 274 C LYS B 19 -3.830 0.459 6.472 1.00 0.00 C ATOM 275 O LYS B 19 -4.992 0.815 6.669 1.00 0.00 O ATOM 276 CB LYS B 19 -1.919 2.035 6.218 1.00 0.00 C ATOM 277 CG LYS B 19 -2.174 3.510 6.395 1.00 0.00 C ATOM 278 CD LYS B 19 -3.604 3.892 6.049 1.00 0.00 C ATOM 279 CE LYS B 19 -4.470 4.043 7.292 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.964 5.104 8.199 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.790 0.265 7.286 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.093 1.717 8.006 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.851 1.849 6.328 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.189 1.753 5.200 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.964 3.792 7.427 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.487 4.074 5.764 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.604 4.828 5.491 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.035 3.132 5.397 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -5.492 4.278 6.995 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.503 3.094 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.759 5.516 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.280 4.693 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.499 5.847 7.639 1.00 0.00 H new ATOM 294 N LEU B 20 -3.510 -0.519 5.639 1.00 0.00 N ATOM 295 CA LEU B 20 -4.528 -1.218 4.875 1.00 0.00 C ATOM 296 C LEU B 20 -5.209 -2.298 5.703 1.00 0.00 C ATOM 297 O LEU B 20 -6.422 -2.475 5.617 1.00 0.00 O ATOM 298 CB LEU B 20 -3.928 -1.827 3.610 1.00 0.00 C ATOM 299 CG LEU B 20 -3.428 -0.822 2.572 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.898 -1.546 1.345 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.536 0.146 2.185 1.00 0.00 C ATOM 0 H LEU B 20 -2.557 -0.845 5.476 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.284 -0.485 4.593 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.097 -2.472 3.896 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.679 -2.464 3.142 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.613 -0.248 3.013 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.546 -0.816 0.616 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.073 -2.197 1.635 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.695 -2.145 0.904 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.160 0.853 1.445 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.373 -0.410 1.763 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.870 0.689 3.069 1.00 0.00 H new ATOM 313 N ASN B 21 -4.437 -3.004 6.518 1.00 0.00 N ATOM 314 CA ASN B 21 -4.970 -4.125 7.286 1.00 0.00 C ATOM 315 C ASN B 21 -5.679 -3.645 8.550 1.00 0.00 C ATOM 316 O ASN B 21 -5.181 -3.823 9.666 1.00 0.00 O ATOM 317 CB ASN B 21 -3.854 -5.102 7.656 1.00 0.00 C ATOM 318 CG ASN B 21 -4.383 -6.372 8.294 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.479 -6.835 7.971 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.612 -6.938 9.206 1.00 0.00 N ATOM 0 H ASN B 21 -3.444 -2.823 6.665 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.699 -4.637 6.658 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.287 -5.358 6.761 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.162 -4.615 8.343 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -3.917 -7.792 9.673 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.712 -6.521 9.443 1.00 0.00 H new ATOM 327 N LYS B 22 -6.834 -3.022 8.362 1.00 0.00 N ATOM 328 CA LYS B 22 -7.667 -2.570 9.470 1.00 0.00 C ATOM 329 C LYS B 22 -9.141 -2.722 9.118 1.00 0.00 C ATOM 330 O LYS B 22 -9.822 -3.613 9.629 1.00 0.00 O ATOM 331 CB LYS B 22 -7.372 -1.111 9.830 1.00 0.00 C ATOM 332 CG LYS B 22 -5.963 -0.876 10.338 1.00 0.00 C ATOM 333 CD LYS B 22 -5.741 0.574 10.731 1.00 0.00 C ATOM 334 CE LYS B 22 -6.523 0.939 11.983 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.335 2.366 12.352 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.220 -2.816 7.441 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.434 -3.191 10.335 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.539 -0.489 8.950 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.081 -0.784 10.591 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.774 -1.519 11.198 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.246 -1.157 9.566 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -4.678 0.747 10.901 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.042 1.225 9.910 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.583 0.742 11.821 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -6.204 0.304 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.883 2.578 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -5.327 2.548 12.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.663 2.972 11.573 1.00 0.00 H new ATOM 349 N GLY B 23 -9.625 -1.865 8.225 1.00 0.00 N ATOM 350 CA GLY B 23 -11.032 -1.876 7.881 1.00 0.00 C ATOM 351 C GLY B 23 -11.283 -2.173 6.416 1.00 0.00 C ATOM 352 O GLY B 23 -12.078 -1.494 5.765 1.00 0.00 O ATOM 0 H GLY B 23 -9.068 -1.165 7.735 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.543 -2.622 8.490 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.468 -0.909 8.130 1.00 0.00 H new ATOM 356 N LYS B 24 -10.588 -3.168 5.884 1.00 0.00 N ATOM 357 CA LYS B 24 -10.831 -3.622 4.524 1.00 0.00 C ATOM 358 C LYS B 24 -11.431 -5.017 4.550 1.00 0.00 C ATOM 359 O LYS B 24 -12.004 -5.440 5.553 1.00 0.00 O ATOM 360 CB LYS B 24 -9.540 -3.650 3.699 1.00 0.00 C ATOM 361 CG LYS B 24 -8.756 -2.353 3.710 1.00 0.00 C ATOM 362 CD LYS B 24 -9.548 -1.210 3.113 1.00 0.00 C ATOM 363 CE LYS B 24 -8.674 0.012 2.914 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.046 0.472 4.183 1.00 0.00 N1+ ATOM 0 H LYS B 24 -9.852 -3.676 6.374 1.00 0.00 H new ATOM 0 HA LYS B 24 -11.522 -2.919 4.058 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -8.901 -4.449 4.076 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -9.789 -3.900 2.668 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -8.478 -2.106 4.734 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -7.830 -2.484 3.151 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -9.972 -1.517 2.157 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -10.383 -0.961 3.767 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -7.894 -0.217 2.188 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.273 0.820 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -7.643 1.421 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.765 0.505 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.291 -0.189 4.456 1.00 0.00 H new ATOM 378 N GLY B 25 -11.293 -5.730 3.445 1.00 0.00 N ATOM 379 CA GLY B 25 -11.783 -7.085 3.379 1.00 0.00 C ATOM 380 C GLY B 25 -10.787 -8.060 3.967 1.00 0.00 C ATOM 381 O GLY B 25 -9.848 -7.651 4.655 1.00 0.00 O ATOM 0 H GLY B 25 -10.849 -5.392 2.591 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.728 -7.159 3.917 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.986 -7.350 2.341 1.00 0.00 H new ATOM 385 N LYS B 26 -10.990 -9.346 3.725 1.00 0.00 N ATOM 386 CA LYS B 26 -10.034 -10.356 4.158 1.00 0.00 C ATOM 387 C LYS B 26 -8.749 -10.208 3.372 1.00 0.00 C ATOM 388 O LYS B 26 -8.635 -10.705 2.261 1.00 0.00 O ATOM 389 CB LYS B 26 -10.604 -11.752 3.970 1.00 0.00 C ATOM 390 CG LYS B 26 -11.817 -12.016 4.832 1.00 0.00 C ATOM 391 CD LYS B 26 -12.205 -13.475 4.782 1.00 0.00 C ATOM 392 CE LYS B 26 -13.164 -13.769 3.635 1.00 0.00 C ATOM 393 NZ LYS B 26 -13.496 -15.213 3.544 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.804 -9.715 3.233 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.828 -10.212 5.219 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.872 -11.891 2.923 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.833 -12.487 4.202 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.607 -11.726 5.862 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.651 -11.402 4.492 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.309 -14.085 4.671 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.670 -13.760 5.726 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -14.080 -13.194 3.772 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.718 -13.440 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -14.151 -15.369 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.626 -15.760 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.945 -15.522 4.430 1.00 0.00 H new ATOM 407 N LEU B 27 -7.782 -9.551 3.974 1.00 0.00 N ATOM 408 CA LEU B 27 -6.649 -9.029 3.261 1.00 0.00 C ATOM 409 C LEU B 27 -5.340 -9.536 3.857 1.00 0.00 C ATOM 410 O LEU B 27 -5.007 -9.242 5.007 1.00 0.00 O ATOM 411 CB LEU B 27 -6.717 -7.504 3.312 1.00 0.00 C ATOM 412 CG LEU B 27 -5.435 -6.790 2.937 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.119 -6.985 1.463 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.526 -5.313 3.283 1.00 0.00 C ATOM 0 H LEU B 27 -7.764 -9.366 4.977 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.677 -9.369 2.226 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.510 -7.169 2.644 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -7.001 -7.202 4.320 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.619 -7.225 3.515 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.194 -6.463 1.217 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.003 -8.048 1.253 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.933 -6.583 0.860 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.596 -4.817 3.006 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.354 -4.862 2.737 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.693 -5.200 4.354 1.00 0.00 H new ATOM 426 N SER B 28 -4.612 -10.302 3.068 1.00 0.00 N ATOM 427 CA SER B 28 -3.327 -10.835 3.480 1.00 0.00 C ATOM 428 C SER B 28 -2.195 -10.089 2.784 1.00 0.00 C ATOM 429 O SER B 28 -1.976 -10.271 1.588 1.00 0.00 O ATOM 430 CB SER B 28 -3.258 -12.320 3.138 1.00 0.00 C ATOM 431 OG SER B 28 -4.286 -13.043 3.798 1.00 0.00 O ATOM 0 H SER B 28 -4.893 -10.572 2.125 1.00 0.00 H new ATOM 0 HA SER B 28 -3.218 -10.705 4.557 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.350 -12.453 2.060 1.00 0.00 H new ATOM 0 HB3 SER B 28 -2.285 -12.718 3.427 1.00 0.00 H new ATOM 0 HG SER B 28 -4.222 -13.992 3.562 1.00 0.00 H new ATOM 437 N LEU B 29 -1.496 -9.232 3.520 1.00 0.00 N ATOM 438 CA LEU B 29 -0.368 -8.505 2.955 1.00 0.00 C ATOM 439 C LEU B 29 0.888 -9.362 2.995 1.00 0.00 C ATOM 440 O LEU B 29 1.070 -10.190 3.889 1.00 0.00 O ATOM 441 CB LEU B 29 -0.085 -7.196 3.704 1.00 0.00 C ATOM 442 CG LEU B 29 -1.195 -6.141 3.721 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.742 -5.897 2.329 1.00 0.00 C ATOM 444 CD2 LEU B 29 -2.296 -6.542 4.671 1.00 0.00 C ATOM 0 H LEU B 29 -1.689 -9.026 4.500 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.637 -8.266 1.926 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.160 -7.445 4.737 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.804 -6.743 3.266 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.763 -5.205 4.075 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.528 -5.143 2.374 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.940 -5.547 1.679 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.152 -6.825 1.931 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.075 -5.779 4.668 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.720 -7.495 4.355 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.890 -6.642 5.677 1.00 0.00 H new ATOM 456 N SER B 30 1.750 -9.135 2.030 1.00 0.00 N ATOM 457 CA SER B 30 3.016 -9.820 1.931 1.00 0.00 C ATOM 458 C SER B 30 4.056 -8.876 1.344 1.00 0.00 C ATOM 459 O SER B 30 3.729 -8.011 0.529 1.00 0.00 O ATOM 460 CB SER B 30 2.867 -11.071 1.072 1.00 0.00 C ATOM 461 OG SER B 30 1.895 -10.883 0.055 1.00 0.00 O ATOM 0 H SER B 30 1.588 -8.460 1.283 1.00 0.00 H new ATOM 0 HA SER B 30 3.345 -10.129 2.923 1.00 0.00 H new ATOM 0 HB2 SER B 30 3.827 -11.321 0.620 1.00 0.00 H new ATOM 0 HB3 SER B 30 2.581 -11.915 1.700 1.00 0.00 H new ATOM 0 HG SER B 30 1.821 -11.700 -0.482 1.00 0.00 H new ATOM 467 N MET B 31 5.299 -9.030 1.762 1.00 0.00 N ATOM 468 CA MET B 31 6.338 -8.078 1.401 1.00 0.00 C ATOM 469 C MET B 31 7.426 -8.723 0.553 1.00 0.00 C ATOM 470 O MET B 31 7.748 -9.900 0.719 1.00 0.00 O ATOM 471 CB MET B 31 6.950 -7.470 2.664 1.00 0.00 C ATOM 472 CG MET B 31 5.930 -6.773 3.550 1.00 0.00 C ATOM 473 SD MET B 31 6.662 -6.079 5.043 1.00 0.00 S ATOM 474 CE MET B 31 5.212 -5.380 5.828 1.00 0.00 C ATOM 0 H MET B 31 5.615 -9.802 2.350 1.00 0.00 H new ATOM 0 HA MET B 31 5.876 -7.292 0.804 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.441 -8.257 3.237 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.721 -6.755 2.378 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.447 -5.977 2.984 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.152 -7.483 3.829 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.495 -4.926 6.778 1.00 0.00 H new ATOM 0 HE2 MET B 31 4.777 -4.620 5.178 1.00 0.00 H new ATOM 0 HE3 MET B 31 4.480 -6.167 6.006 1.00 0.00 H new ATOM 484 N ASN B 32 7.961 -7.941 -0.369 1.00 0.00 N ATOM 485 CA ASN B 32 9.093 -8.344 -1.198 1.00 0.00 C ATOM 486 C ASN B 32 9.734 -7.090 -1.762 1.00 0.00 C ATOM 487 O ASN B 32 9.174 -6.457 -2.659 1.00 0.00 O ATOM 488 CB ASN B 32 8.649 -9.258 -2.345 1.00 0.00 C ATOM 489 CG ASN B 32 9.829 -9.807 -3.130 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.297 -9.188 -4.087 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.317 -10.970 -2.731 1.00 0.00 N ATOM 0 H ASN B 32 7.622 -7.000 -0.568 1.00 0.00 H new ATOM 0 HA ASN B 32 9.803 -8.903 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.065 -10.086 -1.943 1.00 0.00 H new ATOM 0 HB3 ASN B 32 7.994 -8.703 -3.017 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.109 -11.386 -3.221 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.901 -11.451 -1.934 1.00 0.00 H new ATOM 498 N GLY B 33 10.889 -6.713 -1.235 1.00 0.00 N ATOM 499 CA GLY B 33 11.415 -5.399 -1.536 1.00 0.00 C ATOM 500 C GLY B 33 10.533 -4.354 -0.912 1.00 0.00 C ATOM 501 O GLY B 33 10.292 -4.383 0.297 1.00 0.00 O ATOM 0 H GLY B 33 11.463 -7.283 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.432 -5.306 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.463 -5.253 -2.615 1.00 0.00 H new ATOM 505 N ASN B 34 10.016 -3.455 -1.721 1.00 0.00 N ATOM 506 CA ASN B 34 9.066 -2.472 -1.233 1.00 0.00 C ATOM 507 C ASN B 34 7.749 -2.637 -1.973 1.00 0.00 C ATOM 508 O ASN B 34 6.971 -1.694 -2.110 1.00 0.00 O ATOM 509 CB ASN B 34 9.594 -1.043 -1.404 1.00 0.00 C ATOM 510 CG ASN B 34 10.894 -0.779 -0.651 1.00 0.00 C ATOM 511 OD1 ASN B 34 11.724 -1.663 -0.470 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.088 0.453 -0.219 1.00 0.00 N ATOM 0 H ASN B 34 10.234 -3.382 -2.715 1.00 0.00 H new ATOM 0 HA ASN B 34 8.915 -2.639 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN B 34 9.752 -0.847 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN B 34 8.835 -0.340 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN B 34 11.946 0.689 0.280 1.00 0.00 H new ATOM 0 HD22 ASN B 34 10.380 1.169 -0.384 1.00 0.00 H new ATOM 519 N GLN B 35 7.516 -3.849 -2.468 1.00 0.00 N ATOM 520 CA GLN B 35 6.283 -4.161 -3.171 1.00 0.00 C ATOM 521 C GLN B 35 5.155 -4.410 -2.191 1.00 0.00 C ATOM 522 O GLN B 35 5.381 -4.792 -1.041 1.00 0.00 O ATOM 523 CB GLN B 35 6.439 -5.400 -4.051 1.00 0.00 C ATOM 524 CG GLN B 35 7.483 -5.267 -5.140 1.00 0.00 C ATOM 525 CD GLN B 35 7.635 -6.537 -5.947 1.00 0.00 C ATOM 526 OE1 GLN B 35 6.949 -6.739 -6.949 1.00 0.00 O ATOM 527 NE2 GLN B 35 8.529 -7.407 -5.510 1.00 0.00 N ATOM 0 H GLN B 35 8.168 -4.630 -2.393 1.00 0.00 H new ATOM 0 HA GLN B 35 6.050 -3.301 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.697 -6.249 -3.419 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.478 -5.627 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.209 -4.447 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.442 -5.007 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN B 35 9.077 -7.200 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.671 -8.286 -6.008 1.00 0.00 H new ATOM 536 N LEU B 36 3.944 -4.221 -2.667 1.00 0.00 N ATOM 537 CA LEU B 36 2.763 -4.463 -1.865 1.00 0.00 C ATOM 538 C LEU B 36 1.982 -5.614 -2.466 1.00 0.00 C ATOM 539 O LEU B 36 1.099 -5.417 -3.300 1.00 0.00 O ATOM 540 CB LEU B 36 1.883 -3.226 -1.824 1.00 0.00 C ATOM 541 CG LEU B 36 1.091 -3.002 -0.528 1.00 0.00 C ATOM 542 CD1 LEU B 36 0.261 -1.737 -0.643 1.00 0.00 C ATOM 543 CD2 LEU B 36 0.192 -4.191 -0.208 1.00 0.00 C ATOM 0 H LEU B 36 3.750 -3.897 -3.615 1.00 0.00 H new ATOM 0 HA LEU B 36 3.070 -4.707 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.511 -2.352 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU B 36 1.177 -3.280 -2.652 1.00 0.00 H new ATOM 0 HG LEU B 36 1.805 -2.896 0.289 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.299 -1.584 0.280 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.919 -0.885 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.434 -1.832 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.353 -3.997 0.716 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.517 -4.341 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.802 -5.086 -0.088 1.00 0.00 H new ATOM 555 N LYS B 37 2.324 -6.807 -2.051 1.00 0.00 N ATOM 556 CA LYS B 37 1.648 -7.999 -2.530 1.00 0.00 C ATOM 557 C LYS B 37 0.580 -8.379 -1.526 1.00 0.00 C ATOM 558 O LYS B 37 0.802 -8.269 -0.319 1.00 0.00 O ATOM 559 CB LYS B 37 2.633 -9.152 -2.723 1.00 0.00 C ATOM 560 CG LYS B 37 3.971 -8.718 -3.313 1.00 0.00 C ATOM 561 CD LYS B 37 4.829 -9.898 -3.735 1.00 0.00 C ATOM 562 CE LYS B 37 4.166 -10.713 -4.834 1.00 0.00 C ATOM 563 NZ LYS B 37 5.097 -11.706 -5.427 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.070 -6.985 -1.379 1.00 0.00 H new ATOM 0 HA LYS B 37 1.195 -7.793 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.808 -9.634 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.182 -9.899 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.793 -8.075 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.513 -8.123 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.797 -9.538 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.018 -10.537 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS B 37 3.296 -11.229 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS B 37 3.805 -10.043 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 4.606 -12.241 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 5.916 -11.213 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 5.422 -12.361 -4.688 1.00 0.00 H new ATOM 577 N ALA B 38 -0.567 -8.823 -2.005 1.00 0.00 N ATOM 578 CA ALA B 38 -1.708 -9.028 -1.126 1.00 0.00 C ATOM 579 C ALA B 38 -2.861 -9.733 -1.820 1.00 0.00 C ATOM 580 O ALA B 38 -2.943 -9.761 -3.050 1.00 0.00 O ATOM 581 CB ALA B 38 -2.190 -7.693 -0.585 1.00 0.00 C ATOM 0 H ALA B 38 -0.735 -9.047 -2.986 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.371 -9.670 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.044 -7.854 0.072 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.386 -7.216 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.486 -7.050 -1.414 1.00 0.00 H new ATOM 587 N THR B 39 -3.745 -10.301 -1.014 1.00 0.00 N ATOM 588 CA THR B 39 -4.990 -10.860 -1.495 1.00 0.00 C ATOM 589 C THR B 39 -6.114 -10.412 -0.574 1.00 0.00 C ATOM 590 O THR B 39 -5.902 -10.283 0.631 1.00 0.00 O ATOM 591 CB THR B 39 -4.928 -12.394 -1.528 1.00 0.00 C ATOM 592 OG1 THR B 39 -4.203 -12.877 -0.386 1.00 0.00 O ATOM 593 CG2 THR B 39 -4.271 -12.897 -2.803 1.00 0.00 C ATOM 0 H THR B 39 -3.615 -10.385 -0.006 1.00 0.00 H new ATOM 0 HA THR B 39 -5.169 -10.508 -2.511 1.00 0.00 H new ATOM 0 HB THR B 39 -5.950 -12.772 -1.503 1.00 0.00 H new ATOM 0 HG1 THR B 39 -4.168 -13.856 -0.411 1.00 0.00 H new ATOM 0 HG21 THR B 39 -4.244 -13.987 -2.793 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.843 -12.556 -3.666 1.00 0.00 H new ATOM 0 HG23 THR B 39 -3.254 -12.509 -2.866 1.00 0.00 H new ATOM 601 N SER B 40 -7.290 -10.149 -1.120 1.00 0.00 N ATOM 602 CA SER B 40 -8.386 -9.666 -0.296 1.00 0.00 C ATOM 603 C SER B 40 -9.729 -10.199 -0.767 1.00 0.00 C ATOM 604 O SER B 40 -9.938 -10.457 -1.955 1.00 0.00 O ATOM 605 CB SER B 40 -8.407 -8.140 -0.260 1.00 0.00 C ATOM 606 OG SER B 40 -9.280 -7.655 0.750 1.00 0.00 O ATOM 0 H SER B 40 -7.508 -10.259 -2.110 1.00 0.00 H new ATOM 0 HA SER B 40 -8.216 -10.041 0.713 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.399 -7.765 -0.082 1.00 0.00 H new ATOM 0 HB3 SER B 40 -8.723 -7.756 -1.230 1.00 0.00 H new ATOM 0 HG SER B 40 -9.270 -6.675 0.748 1.00 0.00 H new ATOM 612 N SER B 41 -10.628 -10.366 0.190 1.00 0.00 N ATOM 613 CA SER B 41 -11.972 -10.847 -0.079 1.00 0.00 C ATOM 614 C SER B 41 -12.992 -9.749 0.172 1.00 0.00 C ATOM 615 O SER B 41 -12.705 -8.758 0.846 1.00 0.00 O ATOM 616 CB SER B 41 -12.276 -12.053 0.792 1.00 0.00 C ATOM 617 OG SER B 41 -11.207 -12.982 0.760 1.00 0.00 O ATOM 0 H SER B 41 -10.446 -10.172 1.175 1.00 0.00 H new ATOM 0 HA SER B 41 -12.033 -11.141 -1.127 1.00 0.00 H new ATOM 0 HB2 SER B 41 -12.452 -11.730 1.818 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.191 -12.534 0.448 1.00 0.00 H new ATOM 0 HG SER B 41 -11.557 -13.888 0.891 1.00 0.00 H new ATOM 623 N ASN B 42 -14.192 -9.949 -0.345 1.00 0.00 N ATOM 624 CA ASN B 42 -15.219 -8.927 -0.307 1.00 0.00 C ATOM 625 C ASN B 42 -16.369 -9.345 0.587 1.00 0.00 C ATOM 626 O ASN B 42 -17.525 -9.010 0.336 1.00 0.00 O ATOM 627 CB ASN B 42 -15.725 -8.612 -1.718 1.00 0.00 C ATOM 628 CG ASN B 42 -14.707 -7.842 -2.532 1.00 0.00 C ATOM 629 OD1 ASN B 42 -14.682 -6.613 -2.513 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.858 -8.557 -3.250 1.00 0.00 N ATOM 0 H ASN B 42 -14.478 -10.817 -0.799 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.775 -8.023 0.110 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.969 -9.542 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.647 -8.034 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.149 -8.090 -3.815 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.912 -9.576 -3.239 1.00 0.00 H new ATOM 637 N ALA B 43 -16.041 -10.074 1.641 1.00 0.00 N ATOM 638 CA ALA B 43 -17.040 -10.484 2.624 1.00 0.00 C ATOM 639 C ALA B 43 -17.395 -9.328 3.561 1.00 0.00 C ATOM 640 O ALA B 43 -18.242 -9.464 4.445 1.00 0.00 O ATOM 641 CB ALA B 43 -16.544 -11.681 3.420 1.00 0.00 C ATOM 0 H ALA B 43 -15.094 -10.395 1.841 1.00 0.00 H new ATOM 0 HA ALA B 43 -17.943 -10.773 2.087 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -17.301 -11.973 4.148 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -16.351 -12.513 2.743 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -15.624 -11.416 3.940 1.00 0.00 H new ATOM 647 N GLY B 44 -16.738 -8.196 3.355 1.00 0.00 N ATOM 648 CA GLY B 44 -16.978 -7.017 4.165 1.00 0.00 C ATOM 649 C GLY B 44 -16.277 -5.807 3.587 1.00 0.00 C ATOM 650 O GLY B 44 -16.865 -4.731 3.488 1.00 0.00 O ATOM 0 H GLY B 44 -16.032 -8.072 2.630 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.049 -6.826 4.226 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.627 -7.193 5.182 1.00 0.00 H new ATOM 654 N TYR B 45 -15.026 -6.026 3.175 1.00 0.00 N ATOM 655 CA TYR B 45 -14.170 -5.029 2.536 1.00 0.00 C ATOM 656 C TYR B 45 -14.209 -3.642 3.201 1.00 0.00 C ATOM 657 O TYR B 45 -14.444 -3.534 4.398 1.00 0.00 O ATOM 658 CB TYR B 45 -14.442 -4.977 1.034 1.00 0.00 C ATOM 659 CG TYR B 45 -15.863 -4.607 0.629 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.307 -3.289 0.631 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.761 -5.595 0.242 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.599 -2.968 0.263 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.054 -5.282 -0.129 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.468 -3.967 -0.117 1.00 0.00 C ATOM 665 OH TYR B 45 -19.757 -3.651 -0.485 1.00 0.00 O ATOM 0 H TYR B 45 -14.568 -6.931 3.281 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.142 -5.359 2.684 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.758 -4.257 0.585 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.205 -5.952 0.607 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.629 -2.502 0.926 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.442 -6.627 0.231 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.926 -1.939 0.273 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.737 -6.063 -0.427 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.239 -4.470 -0.726 1.00 0.00 H new ATOM 675 N GLY B 46 -13.908 -2.590 2.438 1.00 0.00 N ATOM 676 CA GLY B 46 -13.775 -1.266 3.012 1.00 0.00 C ATOM 677 C GLY B 46 -15.105 -0.599 3.323 1.00 0.00 C ATOM 678 O GLY B 46 -15.826 -0.184 2.415 1.00 0.00 O ATOM 0 H GLY B 46 -13.754 -2.636 1.431 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.190 -1.334 3.929 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.215 -0.635 2.322 1.00 0.00 H new ATOM 682 N ILE B 47 -15.429 -0.496 4.609 1.00 0.00 N ATOM 683 CA ILE B 47 -16.646 0.192 5.040 1.00 0.00 C ATOM 684 C ILE B 47 -16.296 1.378 5.921 1.00 0.00 C ATOM 685 O ILE B 47 -16.708 2.507 5.666 1.00 0.00 O ATOM 686 CB ILE B 47 -17.593 -0.705 5.866 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.337 -2.192 5.631 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.036 -0.364 5.543 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.299 -2.780 6.564 1.00 0.00 C ATOM 0 H ILE B 47 -14.868 -0.879 5.370 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.149 0.494 4.121 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.395 -0.509 6.920 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.273 -2.737 5.751 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.013 -2.339 4.601 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.700 -1.000 6.129 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.226 0.681 5.787 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.220 -0.528 4.481 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.168 -3.839 6.341 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.351 -2.260 6.427 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.631 -2.665 7.596 1.00 0.00 H new ATOM 701 N SER B 48 -15.539 1.071 6.968 1.00 0.00 N ATOM 702 CA SER B 48 -15.103 2.024 7.991 1.00 0.00 C ATOM 703 C SER B 48 -14.830 3.435 7.463 1.00 0.00 C ATOM 704 O SER B 48 -15.426 4.410 7.921 1.00 0.00 O ATOM 705 CB SER B 48 -13.836 1.479 8.632 1.00 0.00 C ATOM 706 OG SER B 48 -14.062 0.191 9.177 1.00 0.00 O ATOM 0 H SER B 48 -15.199 0.124 7.137 1.00 0.00 H new ATOM 0 HA SER B 48 -15.921 2.124 8.704 1.00 0.00 H new ATOM 0 HB2 SER B 48 -13.039 1.430 7.890 1.00 0.00 H new ATOM 0 HB3 SER B 48 -13.499 2.157 9.416 1.00 0.00 H new ATOM 0 HG SER B 48 -13.235 -0.142 9.583 1.00 0.00 H new ATOM 712 N TYR B 49 -13.927 3.523 6.508 1.00 0.00 N ATOM 713 CA TYR B 49 -13.445 4.801 5.991 1.00 0.00 C ATOM 714 C TYR B 49 -14.467 5.475 5.080 1.00 0.00 C ATOM 715 O TYR B 49 -14.266 6.618 4.670 1.00 0.00 O ATOM 716 CB TYR B 49 -12.162 4.584 5.191 1.00 0.00 C ATOM 717 CG TYR B 49 -11.203 3.585 5.793 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.391 2.221 5.604 1.00 0.00 C ATOM 719 CD2 TYR B 49 -10.108 3.999 6.539 1.00 0.00 C ATOM 720 CE1 TYR B 49 -10.519 1.303 6.139 1.00 0.00 C ATOM 721 CE2 TYR B 49 -9.230 3.083 7.078 1.00 0.00 C ATOM 722 CZ TYR B 49 -9.440 1.736 6.875 1.00 0.00 C ATOM 723 OH TYR B 49 -8.566 0.816 7.404 1.00 0.00 O ATOM 0 H TYR B 49 -13.501 2.710 6.062 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.266 5.446 6.851 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.428 4.252 4.187 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.650 5.540 5.085 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.236 1.877 5.027 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -9.942 5.054 6.699 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -10.680 0.247 5.982 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -8.382 3.419 7.656 1.00 0.00 H new ATOM 0 HH TYR B 49 -7.800 1.282 7.799 1.00 0.00 H new ATOM 733 N GLU B 50 -15.560 4.776 4.796 1.00 0.00 N ATOM 734 CA GLU B 50 -16.501 5.168 3.764 1.00 0.00 C ATOM 735 C GLU B 50 -15.783 5.345 2.435 1.00 0.00 C ATOM 736 O GLU B 50 -15.592 4.383 1.692 1.00 0.00 O ATOM 737 CB GLU B 50 -17.214 6.448 4.157 1.00 0.00 C ATOM 738 CG GLU B 50 -18.096 6.312 5.377 1.00 0.00 C ATOM 739 CD GLU B 50 -18.920 7.554 5.625 1.00 0.00 C ATOM 740 OE1 GLU B 50 -18.392 8.509 6.234 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -20.096 7.589 5.200 1.00 0.00 O ATOM 0 H GLU B 50 -15.816 3.916 5.281 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.245 4.379 3.653 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.471 7.223 4.344 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.822 6.785 3.318 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.760 5.457 5.250 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.477 6.108 6.250 1.00 0.00 H new ATOM 748 N ASP B 51 -15.358 6.570 2.165 1.00 0.00 N ATOM 749 CA ASP B 51 -14.587 6.875 0.972 1.00 0.00 C ATOM 750 C ASP B 51 -13.432 7.795 1.333 1.00 0.00 C ATOM 751 O ASP B 51 -13.635 8.963 1.666 1.00 0.00 O ATOM 752 CB ASP B 51 -15.445 7.569 -0.093 1.00 0.00 C ATOM 753 CG ASP B 51 -16.595 6.729 -0.615 1.00 0.00 C ATOM 754 OD1 ASP B 51 -17.547 6.462 0.147 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -16.565 6.357 -1.806 1.00 0.00 O ATOM 0 H ASP B 51 -15.537 7.376 2.764 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.220 5.932 0.567 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.846 8.492 0.326 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -14.806 7.850 -0.931 1.00 0.00 H new ATOM 760 N LYS B 52 -12.223 7.267 1.274 1.00 0.00 N ATOM 761 CA LYS B 52 -11.025 8.064 1.502 1.00 0.00 C ATOM 762 C LYS B 52 -10.033 7.779 0.391 1.00 0.00 C ATOM 763 O LYS B 52 -9.895 6.632 -0.029 1.00 0.00 O ATOM 764 CB LYS B 52 -10.374 7.730 2.854 1.00 0.00 C ATOM 765 CG LYS B 52 -11.306 7.816 4.056 1.00 0.00 C ATOM 766 CD LYS B 52 -11.830 9.223 4.278 1.00 0.00 C ATOM 767 CE LYS B 52 -12.737 9.297 5.498 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.977 9.151 6.768 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.041 6.284 1.069 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.307 9.117 1.513 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.963 6.722 2.803 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.536 8.408 3.014 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -12.146 7.136 3.911 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -10.776 7.483 4.948 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.992 9.908 4.405 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -12.379 9.551 3.395 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -13.265 10.250 5.499 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -13.493 8.514 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.615 9.308 7.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.577 8.193 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -11.207 9.850 6.794 1.00 0.00 H new ATOM 782 N ASN B 53 -9.367 8.808 -0.105 1.00 0.00 N ATOM 783 CA ASN B 53 -8.351 8.621 -1.122 1.00 0.00 C ATOM 784 C ASN B 53 -6.991 8.987 -0.570 1.00 0.00 C ATOM 785 O ASN B 53 -6.816 10.050 0.030 1.00 0.00 O ATOM 786 CB ASN B 53 -8.630 9.471 -2.361 1.00 0.00 C ATOM 787 CG ASN B 53 -9.936 9.126 -3.051 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.994 8.222 -3.884 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.992 9.853 -2.725 1.00 0.00 N ATOM 0 H ASN B 53 -9.512 9.777 0.180 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.369 7.570 -1.412 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.647 10.522 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.811 9.347 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.892 9.672 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.906 10.594 -2.030 1.00 0.00 H new ATOM 796 N TRP B 54 -6.035 8.107 -0.764 1.00 0.00 N ATOM 797 CA TRP B 54 -4.674 8.374 -0.372 1.00 0.00 C ATOM 798 C TRP B 54 -3.714 7.718 -1.354 1.00 0.00 C ATOM 799 O TRP B 54 -4.129 6.921 -2.201 1.00 0.00 O ATOM 800 CB TRP B 54 -4.424 7.919 1.066 1.00 0.00 C ATOM 801 CG TRP B 54 -4.495 6.447 1.308 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.610 5.659 1.316 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.394 5.596 1.626 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.266 4.364 1.615 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.907 4.300 1.809 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.016 5.808 1.770 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.090 3.221 2.134 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.211 4.732 2.088 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.749 3.454 2.269 1.00 0.00 C ATOM 0 H TRP B 54 -6.179 7.194 -1.195 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.498 9.449 -0.399 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.438 8.270 1.371 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.152 8.409 1.713 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.614 6.003 1.117 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.913 3.578 1.682 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.593 6.792 1.635 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.501 2.232 2.275 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.147 4.880 2.199 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.092 2.634 2.520 1.00 0.00 H new ATOM 820 N GLY B 55 -2.441 8.068 -1.259 1.00 0.00 N ATOM 821 CA GLY B 55 -1.479 7.595 -2.228 1.00 0.00 C ATOM 822 C GLY B 55 -0.218 7.065 -1.589 1.00 0.00 C ATOM 823 O GLY B 55 0.229 7.577 -0.561 1.00 0.00 O ATOM 0 H GLY B 55 -2.058 8.670 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.934 6.809 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.223 8.409 -2.906 1.00 0.00 H new ATOM 827 N ILE B 56 0.342 6.021 -2.185 1.00 0.00 N ATOM 828 CA ILE B 56 1.645 5.521 -1.782 1.00 0.00 C ATOM 829 C ILE B 56 2.675 5.869 -2.850 1.00 0.00 C ATOM 830 O ILE B 56 2.346 5.939 -4.039 1.00 0.00 O ATOM 831 CB ILE B 56 1.614 4.000 -1.565 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.399 3.622 -0.724 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.891 3.535 -0.879 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.052 2.160 -0.792 1.00 0.00 C ATOM 0 H ILE B 56 -0.089 5.504 -2.951 1.00 0.00 H new ATOM 0 HA ILE B 56 1.917 5.992 -0.837 1.00 0.00 H new ATOM 0 HB ILE B 56 1.544 3.508 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.587 3.894 0.314 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.459 4.207 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.853 2.456 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.750 3.787 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.985 4.029 0.088 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.821 1.964 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.168 1.886 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.894 1.569 -0.431 1.00 0.00 H new ATOM 846 N PHE B 57 3.909 6.099 -2.425 1.00 0.00 N ATOM 847 CA PHE B 57 4.947 6.613 -3.315 1.00 0.00 C ATOM 848 C PHE B 57 6.215 5.775 -3.236 1.00 0.00 C ATOM 849 O PHE B 57 6.642 5.392 -2.149 1.00 0.00 O ATOM 850 CB PHE B 57 5.208 8.081 -2.962 1.00 0.00 C ATOM 851 CG PHE B 57 3.928 8.868 -3.012 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.470 9.381 -4.211 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.143 9.019 -1.885 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.255 10.028 -4.290 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.934 9.677 -1.955 1.00 0.00 C ATOM 856 CZ PHE B 57 1.486 10.176 -3.159 1.00 0.00 C ATOM 0 H PHE B 57 4.219 5.938 -1.467 1.00 0.00 H new ATOM 0 HA PHE B 57 4.607 6.549 -4.349 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.646 8.150 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.931 8.506 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.073 9.273 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.480 8.618 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.908 10.417 -5.236 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.336 9.802 -1.064 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.533 10.682 -3.214 1.00 0.00 H new ATOM 866 N VAL B 58 6.810 5.487 -4.398 1.00 0.00 N ATOM 867 CA VAL B 58 8.018 4.701 -4.452 1.00 0.00 C ATOM 868 C VAL B 58 9.103 5.502 -5.149 1.00 0.00 C ATOM 869 O VAL B 58 8.855 6.152 -6.164 1.00 0.00 O ATOM 870 CB VAL B 58 7.805 3.344 -5.159 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.511 3.525 -6.641 1.00 0.00 C ATOM 872 CG2 VAL B 58 9.018 2.450 -4.954 1.00 0.00 C ATOM 0 H VAL B 58 6.464 5.793 -5.307 1.00 0.00 H new ATOM 0 HA VAL B 58 8.321 4.475 -3.430 1.00 0.00 H new ATOM 0 HB VAL B 58 6.935 2.864 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.367 2.549 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.607 4.122 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.348 4.034 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.856 1.496 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.901 2.934 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.167 2.278 -3.888 1.00 0.00 H new ATOM 882 N ASN B 59 10.300 5.468 -4.575 1.00 0.00 N ATOM 883 CA ASN B 59 11.417 6.304 -5.014 1.00 0.00 C ATOM 884 C ASN B 59 11.038 7.774 -4.866 1.00 0.00 C ATOM 885 O ASN B 59 11.695 8.661 -5.405 1.00 0.00 O ATOM 886 CB ASN B 59 11.807 6.022 -6.471 1.00 0.00 C ATOM 887 CG ASN B 59 11.716 4.559 -6.849 1.00 0.00 C ATOM 888 OD1 ASN B 59 10.602 4.197 -7.464 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 12.632 3.774 -6.610 1.00 0.00 N flip ATOM 0 H ASN B 59 10.526 4.859 -3.789 1.00 0.00 H new ATOM 0 HA ASN B 59 12.277 6.068 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.160 6.600 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.826 6.370 -6.640 1.00 0.00 H new ATOM 0 HD21 ASN B 59 13.472 4.101 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN B 59 12.551 2.796 -6.889 1.00 0.00 H new ATOM 896 N GLY B 60 9.963 8.018 -4.128 1.00 0.00 N ATOM 897 CA GLY B 60 9.461 9.358 -3.973 1.00 0.00 C ATOM 898 C GLY B 60 8.313 9.661 -4.921 1.00 0.00 C ATOM 899 O GLY B 60 7.543 10.599 -4.708 1.00 0.00 O ATOM 0 H GLY B 60 9.431 7.302 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.127 9.501 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.269 10.068 -4.147 1.00 0.00 H new ATOM 903 N GLU B 61 8.202 8.846 -5.958 1.00 0.00 N ATOM 904 CA GLU B 61 7.190 8.980 -6.981 1.00 0.00 C ATOM 905 C GLU B 61 5.972 8.236 -6.553 1.00 0.00 C ATOM 906 O GLU B 61 6.047 7.443 -5.663 1.00 0.00 O ATOM 907 CB GLU B 61 7.709 8.362 -8.264 1.00 0.00 C ATOM 908 CG GLU B 61 8.510 9.303 -9.143 1.00 0.00 C ATOM 909 CD GLU B 61 9.674 9.963 -8.430 1.00 0.00 C ATOM 910 OE1 GLU B 61 9.485 11.049 -7.843 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.790 9.408 -8.474 1.00 0.00 O ATOM 0 H GLU B 61 8.830 8.057 -6.111 1.00 0.00 H new ATOM 0 HA GLU B 61 6.953 10.032 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.332 7.504 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.863 7.984 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.889 8.749 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU B 61 7.847 10.077 -9.530 1.00 0.00 H new ATOM 918 N LYS B 62 4.866 8.464 -7.188 1.00 0.00 N ATOM 919 CA LYS B 62 3.675 7.711 -6.879 1.00 0.00 C ATOM 920 C LYS B 62 3.881 6.244 -7.244 1.00 0.00 C ATOM 921 O LYS B 62 4.885 5.883 -7.861 1.00 0.00 O ATOM 922 CB LYS B 62 2.510 8.351 -7.617 1.00 0.00 C ATOM 923 CG LYS B 62 1.148 7.871 -7.165 1.00 0.00 C ATOM 924 CD LYS B 62 0.130 8.989 -7.265 1.00 0.00 C ATOM 925 CE LYS B 62 -0.606 9.185 -5.956 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.767 10.100 -6.110 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.755 9.162 -7.923 1.00 0.00 H new ATOM 0 HA LYS B 62 3.454 7.732 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.563 9.432 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.617 8.152 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.831 7.027 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.205 7.514 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.631 9.916 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.585 8.762 -8.056 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.950 8.220 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.079 9.588 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.941 10.594 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.563 10.797 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -2.610 9.550 -6.371 1.00 0.00 H new ATOM 940 N VAL B 63 3.014 5.390 -6.742 1.00 0.00 N ATOM 941 CA VAL B 63 3.015 3.991 -7.138 1.00 0.00 C ATOM 942 C VAL B 63 1.633 3.384 -6.951 1.00 0.00 C ATOM 943 O VAL B 63 1.337 2.305 -7.467 1.00 0.00 O ATOM 944 CB VAL B 63 4.056 3.172 -6.338 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.653 3.030 -4.878 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.279 1.808 -6.976 1.00 0.00 C ATOM 0 H VAL B 63 2.298 5.637 -6.059 1.00 0.00 H new ATOM 0 HA VAL B 63 3.288 3.952 -8.192 1.00 0.00 H new ATOM 0 HB VAL B 63 4.998 3.720 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.407 2.449 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.571 4.018 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.691 2.521 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL B 63 5.015 1.251 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.339 1.257 -6.995 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.643 1.938 -7.995 1.00 0.00 H new ATOM 956 N TYR B 64 0.772 4.094 -6.236 1.00 0.00 N ATOM 957 CA TYR B 64 -0.507 3.528 -5.853 1.00 0.00 C ATOM 958 C TYR B 64 -1.501 4.623 -5.499 1.00 0.00 C ATOM 959 O TYR B 64 -1.236 5.476 -4.650 1.00 0.00 O ATOM 960 CB TYR B 64 -0.293 2.597 -4.660 1.00 0.00 C ATOM 961 CG TYR B 64 -1.337 1.519 -4.465 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.561 1.559 -5.114 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.090 0.457 -3.603 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.506 0.577 -4.910 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.029 -0.533 -3.399 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.236 -0.468 -4.052 1.00 0.00 C ATOM 967 OH TYR B 64 -4.183 -1.441 -3.834 1.00 0.00 O ATOM 0 H TYR B 64 0.934 5.048 -5.915 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.919 2.967 -6.692 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.680 2.118 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.251 3.203 -3.755 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.778 2.373 -5.790 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.145 0.406 -3.083 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.456 0.626 -5.421 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.817 -1.354 -2.730 1.00 0.00 H new ATOM 0 HH TYR B 64 -4.918 -1.069 -3.303 1.00 0.00 H new ATOM 977 N THR B 65 -2.630 4.586 -6.177 1.00 0.00 N ATOM 978 CA THR B 65 -3.731 5.508 -5.931 1.00 0.00 C ATOM 979 C THR B 65 -5.029 4.717 -5.822 1.00 0.00 C ATOM 980 O THR B 65 -5.342 3.916 -6.708 1.00 0.00 O ATOM 981 CB THR B 65 -3.859 6.543 -7.063 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.583 7.141 -7.324 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.864 7.627 -6.695 1.00 0.00 C ATOM 0 H THR B 65 -2.815 3.912 -6.920 1.00 0.00 H new ATOM 0 HA THR B 65 -3.531 6.043 -5.002 1.00 0.00 H new ATOM 0 HB THR B 65 -4.212 6.030 -7.957 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.671 7.797 -8.046 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.937 8.347 -7.510 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.840 7.174 -6.522 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.534 8.137 -5.790 1.00 0.00 H new ATOM 991 N PHE B 66 -5.780 4.932 -4.747 1.00 0.00 N ATOM 992 CA PHE B 66 -6.932 4.110 -4.456 1.00 0.00 C ATOM 993 C PHE B 66 -7.786 4.705 -3.359 1.00 0.00 C ATOM 994 O PHE B 66 -7.313 5.418 -2.474 1.00 0.00 O ATOM 995 CB PHE B 66 -6.504 2.680 -4.096 1.00 0.00 C ATOM 996 CG PHE B 66 -5.483 2.517 -3.004 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.640 3.534 -2.583 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.354 1.281 -2.436 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.697 3.306 -1.602 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.414 1.034 -1.462 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.582 2.048 -1.040 1.00 0.00 C ATOM 0 H PHE B 66 -5.605 5.671 -4.067 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.541 4.073 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.396 2.124 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.111 2.209 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.722 4.515 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -6.004 0.481 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.051 4.107 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -4.329 0.048 -1.029 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.844 1.861 -0.274 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.058 4.418 -3.477 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.059 4.827 -2.509 1.00 0.00 C ATOM 1013 C ASN B 67 -10.439 3.628 -1.644 1.00 0.00 C ATOM 1014 O ASN B 67 -10.452 2.491 -2.114 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.291 5.367 -3.246 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.361 5.894 -2.311 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.226 5.148 -1.864 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.319 7.182 -2.024 1.00 0.00 N ATOM 0 H ASN B 67 -9.439 3.885 -4.259 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.660 5.614 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.982 6.165 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.714 4.574 -3.863 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -13.023 7.591 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.582 7.768 -2.417 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.755 3.891 -0.382 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.011 2.833 0.592 1.00 0.00 C ATOM 1027 C GLU B 68 -12.294 2.059 0.267 1.00 0.00 C ATOM 1028 O GLU B 68 -12.470 0.923 0.706 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.097 3.439 1.991 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.845 4.203 2.407 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.649 3.303 2.656 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.018 2.849 1.684 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -8.330 3.044 3.838 1.00 0.00 O1- ATOM 0 H GLU B 68 -10.841 4.835 -0.005 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.185 2.123 0.549 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.953 4.112 2.034 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.282 2.642 2.712 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.593 4.924 1.630 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.058 4.771 3.312 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.180 2.687 -0.502 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.425 2.064 -0.943 1.00 0.00 C ATOM 1042 C LYS B 69 -14.183 1.307 -2.246 1.00 0.00 C ATOM 1043 O LYS B 69 -14.916 0.382 -2.595 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.496 3.142 -1.138 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.929 2.624 -1.148 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.401 2.236 -2.538 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.844 1.751 -2.512 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.765 2.782 -1.960 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.055 3.642 -0.837 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.772 1.359 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.397 3.881 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.305 3.659 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.003 1.759 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.591 3.390 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.314 3.092 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -16.758 1.452 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.157 1.488 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.912 0.844 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.748 2.519 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.639 2.844 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.552 3.704 -2.391 1.00 0.00 H new ATOM 1062 N SER B 70 -13.143 1.719 -2.959 1.00 0.00 N ATOM 1063 CA SER B 70 -12.680 1.003 -4.141 1.00 0.00 C ATOM 1064 C SER B 70 -12.150 -0.370 -3.716 1.00 0.00 C ATOM 1065 O SER B 70 -12.203 -1.332 -4.483 1.00 0.00 O ATOM 1066 CB SER B 70 -11.592 1.834 -4.848 1.00 0.00 C ATOM 1067 OG SER B 70 -10.803 1.045 -5.717 1.00 0.00 O ATOM 0 H SER B 70 -12.600 2.553 -2.737 1.00 0.00 H new ATOM 0 HA SER B 70 -13.500 0.853 -4.844 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.061 2.638 -5.415 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.951 2.302 -4.101 1.00 0.00 H new ATOM 0 HG SER B 70 -10.126 1.609 -6.147 1.00 0.00 H new ATOM 1073 N THR B 71 -11.681 -0.431 -2.466 1.00 0.00 N ATOM 1074 CA THR B 71 -11.241 -1.648 -1.797 1.00 0.00 C ATOM 1075 C THR B 71 -10.062 -2.324 -2.498 1.00 0.00 C ATOM 1076 O THR B 71 -10.121 -2.711 -3.671 1.00 0.00 O ATOM 1077 CB THR B 71 -12.396 -2.642 -1.587 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.788 -3.242 -2.822 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.593 -1.949 -0.957 1.00 0.00 C ATOM 0 H THR B 71 -11.596 0.397 -1.876 1.00 0.00 H new ATOM 0 HA THR B 71 -10.887 -1.330 -0.816 1.00 0.00 H new ATOM 0 HB THR B 71 -12.040 -3.423 -0.915 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.285 -2.834 -3.558 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.399 -2.670 -0.817 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.306 -1.534 0.009 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.934 -1.146 -1.610 1.00 0.00 H new ATOM 1087 N VAL B 72 -8.996 -2.502 -1.729 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.710 -2.938 -2.254 1.00 0.00 C ATOM 1089 C VAL B 72 -7.755 -4.333 -2.879 1.00 0.00 C ATOM 1090 O VAL B 72 -6.811 -4.735 -3.541 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.634 -2.917 -1.153 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.593 -1.557 -0.475 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.883 -4.018 -0.137 1.00 0.00 C ATOM 0 H VAL B 72 -8.999 -2.347 -0.721 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.457 -2.230 -3.043 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.664 -3.098 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -5.827 -1.560 0.300 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.359 -0.789 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.563 -1.345 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.111 -3.985 0.632 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.860 -3.874 0.324 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.856 -4.987 -0.636 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.843 -5.065 -2.680 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.943 -6.399 -3.246 1.00 0.00 C ATOM 1105 C GLY B 73 -8.750 -6.401 -4.749 1.00 0.00 C ATOM 1106 O GLY B 73 -7.881 -7.102 -5.274 1.00 0.00 O ATOM 0 H GLY B 73 -9.654 -4.763 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.195 -7.044 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.919 -6.821 -3.007 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.537 -5.589 -5.436 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.446 -5.490 -6.885 1.00 0.00 C ATOM 1112 C ASN B 74 -8.189 -4.728 -7.280 1.00 0.00 C ATOM 1113 O ASN B 74 -7.533 -5.047 -8.275 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.675 -4.775 -7.462 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.977 -5.425 -7.080 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.431 -6.382 -7.709 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.609 -4.875 -6.058 1.00 0.00 N ATOM 0 H ASN B 74 -10.246 -4.989 -5.015 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.404 -6.501 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.679 -3.741 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.595 -4.750 -8.549 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.513 -5.242 -5.760 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.193 -4.083 -5.567 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.840 -3.742 -6.467 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.759 -2.822 -6.802 1.00 0.00 C ATOM 1126 C ILE B 75 -5.393 -3.474 -6.638 1.00 0.00 C ATOM 1127 O ILE B 75 -4.596 -3.510 -7.574 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.777 -1.562 -5.925 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.191 -1.222 -5.461 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.190 -0.395 -6.701 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.225 -0.080 -4.491 1.00 0.00 C ATOM 0 H ILE B 75 -8.289 -3.557 -5.570 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.925 -2.549 -7.844 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.175 -1.756 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.803 -0.975 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.637 -2.101 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.203 0.499 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.163 -0.626 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.783 -0.220 -7.599 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.256 0.116 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.638 -0.334 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.806 0.810 -4.962 1.00 0.00 H new ATOM 1143 N SER B 76 -5.136 -3.990 -5.442 1.00 0.00 N ATOM 1144 CA SER B 76 -3.832 -4.551 -5.100 1.00 0.00 C ATOM 1145 C SER B 76 -3.488 -5.714 -6.012 1.00 0.00 C ATOM 1146 O SER B 76 -2.318 -5.955 -6.302 1.00 0.00 O ATOM 1147 CB SER B 76 -3.804 -4.995 -3.638 1.00 0.00 C ATOM 1148 OG SER B 76 -4.073 -3.899 -2.783 1.00 0.00 O ATOM 0 H SER B 76 -5.819 -4.032 -4.686 1.00 0.00 H new ATOM 0 HA SER B 76 -3.082 -3.773 -5.241 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.542 -5.780 -3.476 1.00 0.00 H new ATOM 0 HB3 SER B 76 -2.829 -5.420 -3.399 1.00 0.00 H new ATOM 0 HG SER B 76 -3.789 -3.068 -3.217 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.516 -6.421 -6.465 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.353 -7.472 -7.459 1.00 0.00 C ATOM 1156 C ASN B 77 -3.533 -6.950 -8.624 1.00 0.00 C ATOM 1157 O ASN B 77 -2.532 -7.542 -9.031 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.718 -7.897 -7.975 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.659 -9.160 -8.810 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.795 -10.014 -8.611 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.580 -9.288 -9.749 1.00 0.00 N ATOM 0 H ASN B 77 -5.478 -6.283 -6.156 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.846 -8.321 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.388 -8.056 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.143 -7.091 -8.572 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.592 -10.118 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.279 -8.557 -9.881 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.980 -5.822 -9.142 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.278 -5.135 -10.223 1.00 0.00 C ATOM 1170 C ASP B 78 -1.936 -4.587 -9.751 1.00 0.00 C ATOM 1171 O ASP B 78 -0.932 -4.733 -10.432 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.129 -4.000 -10.790 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.170 -4.491 -11.772 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -4.821 -4.723 -12.949 1.00 0.00 O1- ATOM 1175 OD2 ASP B 78 -6.344 -4.650 -11.376 1.00 0.00 O ATOM 0 H ASP B 78 -4.832 -5.355 -8.833 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.096 -5.867 -11.009 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.624 -3.478 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.481 -3.276 -11.284 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.927 -3.965 -8.579 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.711 -3.398 -7.992 1.00 0.00 C ATOM 1182 C ILE B 79 0.442 -4.403 -7.964 1.00 0.00 C ATOM 1183 O ILE B 79 1.609 -4.041 -8.112 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.995 -2.892 -6.584 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.083 -1.842 -6.689 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.257 -2.320 -5.929 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.706 -0.640 -7.538 1.00 0.00 C ATOM 0 H ILE B 79 -2.761 -3.837 -8.005 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.403 -2.566 -8.626 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.320 -3.718 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.978 -2.302 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.340 -1.499 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.015 -1.969 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.022 -3.094 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.631 -1.487 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.538 0.064 -7.562 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.830 -0.152 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.479 -0.968 -8.552 1.00 0.00 H new ATOM 1199 N ASN B 80 0.100 -5.672 -7.789 1.00 0.00 N ATOM 1200 CA ASN B 80 1.097 -6.742 -7.740 1.00 0.00 C ATOM 1201 C ASN B 80 1.836 -6.895 -9.070 1.00 0.00 C ATOM 1202 O ASN B 80 3.001 -7.286 -9.092 1.00 0.00 O ATOM 1203 CB ASN B 80 0.454 -8.078 -7.351 1.00 0.00 C ATOM 1204 CG ASN B 80 0.196 -8.205 -5.859 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -0.079 -7.092 -5.204 1.00 0.00 O flip ATOM 1206 ND2 ASN B 80 0.246 -9.300 -5.300 1.00 0.00 N flip ATOM 0 H ASN B 80 -0.863 -5.990 -7.678 1.00 0.00 H new ATOM 0 HA ASN B 80 1.822 -6.460 -6.977 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.488 -8.190 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN B 80 1.102 -8.893 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.462 -10.139 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN B 80 0.072 -9.369 -4.297 1.00 0.00 H new ATOM 1213 N LYS B 81 1.175 -6.564 -10.175 1.00 0.00 N ATOM 1214 CA LYS B 81 1.772 -6.746 -11.498 1.00 0.00 C ATOM 1215 C LYS B 81 2.713 -5.585 -11.827 1.00 0.00 C ATOM 1216 O LYS B 81 3.426 -5.610 -12.829 1.00 0.00 O ATOM 1217 CB LYS B 81 0.681 -6.870 -12.571 1.00 0.00 C ATOM 1218 CG LYS B 81 0.080 -5.545 -12.991 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.131 -5.722 -13.890 1.00 0.00 C ATOM 1220 CE LYS B 81 -1.716 -4.376 -14.289 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.017 -4.518 -14.991 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.234 -6.171 -10.184 1.00 0.00 H new ATOM 0 HA LYS B 81 2.352 -7.669 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS B 81 1.102 -7.361 -13.448 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.113 -7.515 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.208 -4.981 -12.104 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.834 -4.955 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -0.847 -6.278 -14.783 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -1.888 -6.313 -13.374 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -1.850 -3.761 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.011 -3.852 -14.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.050 -3.861 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.121 -5.494 -15.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -3.792 -4.299 -14.333 1.00 0.00 H new ATOM 1235 N LEU B 82 2.731 -4.582 -10.957 1.00 0.00 N ATOM 1236 CA LEU B 82 3.555 -3.392 -11.150 1.00 0.00 C ATOM 1237 C LEU B 82 5.021 -3.698 -10.898 1.00 0.00 C ATOM 1238 O LEU B 82 5.881 -2.880 -11.235 1.00 0.00 O ATOM 1239 CB LEU B 82 3.118 -2.283 -10.190 1.00 0.00 C ATOM 1240 CG LEU B 82 2.027 -1.337 -10.692 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.557 -0.454 -11.811 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.801 -2.105 -11.162 1.00 0.00 C ATOM 0 H LEU B 82 2.177 -4.569 -10.100 1.00 0.00 H new ATOM 0 HA LEU B 82 3.426 -3.066 -12.182 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.769 -2.748 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.995 -1.688 -9.935 1.00 0.00 H new ATOM 0 HG LEU B 82 1.728 -0.704 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.766 0.212 -12.155 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.395 0.138 -11.442 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.891 -1.078 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU B 82 0.044 -1.403 -11.513 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.081 -2.774 -11.976 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.398 -2.689 -10.335 1.00 0.00 H new ATOM 1254 N ASN B 83 5.289 -4.889 -10.351 1.00 0.00 N ATOM 1255 CA ASN B 83 6.608 -5.277 -9.893 1.00 0.00 C ATOM 1256 C ASN B 83 7.375 -4.074 -9.338 1.00 0.00 C ATOM 1257 O ASN B 83 8.397 -3.636 -9.879 1.00 0.00 O ATOM 1258 CB ASN B 83 7.359 -6.021 -10.999 1.00 0.00 C ATOM 1259 CG ASN B 83 7.510 -5.245 -12.301 1.00 0.00 C ATOM 1260 OD1 ASN B 83 6.635 -5.284 -13.165 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.630 -4.566 -12.469 1.00 0.00 N ATOM 0 H ASN B 83 4.582 -5.611 -10.217 1.00 0.00 H new ATOM 0 HA ASN B 83 6.508 -5.974 -9.061 1.00 0.00 H new ATOM 0 HB2 ASN B 83 8.351 -6.284 -10.632 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.838 -6.956 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN B 83 8.790 -4.053 -13.336 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.335 -4.555 -11.732 1.00 0.00 H new ATOM 1268 N ILE B 84 6.835 -3.551 -8.244 1.00 0.00 N ATOM 1269 CA ILE B 84 7.272 -2.298 -7.649 1.00 0.00 C ATOM 1270 C ILE B 84 8.741 -2.335 -7.216 1.00 0.00 C ATOM 1271 O ILE B 84 9.289 -3.388 -6.880 1.00 0.00 O ATOM 1272 CB ILE B 84 6.368 -1.971 -6.444 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.927 -1.878 -6.923 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.785 -0.672 -5.766 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.912 -1.971 -5.812 1.00 0.00 C ATOM 0 H ILE B 84 6.068 -3.995 -7.738 1.00 0.00 H new ATOM 0 HA ILE B 84 7.189 -1.519 -8.407 1.00 0.00 H new ATOM 0 HB ILE B 84 6.467 -2.766 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.789 -0.935 -7.451 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.740 -2.676 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.125 -0.474 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.812 -0.760 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.717 0.149 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.908 -1.897 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE B 84 4.022 -2.926 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.072 -1.157 -5.104 1.00 0.00 H new ATOM 1287 N LYS B 85 9.363 -1.167 -7.250 1.00 0.00 N ATOM 1288 CA LYS B 85 10.752 -1.003 -6.837 1.00 0.00 C ATOM 1289 C LYS B 85 10.827 -0.691 -5.346 1.00 0.00 C ATOM 1290 O LYS B 85 9.805 -0.652 -4.666 1.00 0.00 O ATOM 1291 CB LYS B 85 11.395 0.133 -7.632 1.00 0.00 C ATOM 1292 CG LYS B 85 11.338 -0.079 -9.130 1.00 0.00 C ATOM 1293 CD LYS B 85 11.968 1.078 -9.881 1.00 0.00 C ATOM 1294 CE LYS B 85 11.989 0.816 -11.377 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.776 -0.402 -11.713 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.920 -0.304 -7.565 1.00 0.00 H new ATOM 0 HA LYS B 85 11.289 -1.932 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.894 1.069 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.436 0.238 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.853 -1.004 -9.387 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.300 -0.195 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.412 1.993 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.985 1.237 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.968 0.701 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.415 1.678 -11.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.998 -0.403 -12.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.660 -0.406 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.220 -1.250 -11.480 1.00 0.00 H new ATOM 1309 N GLY B 86 12.029 -0.458 -4.837 1.00 0.00 N ATOM 1310 CA GLY B 86 12.169 -0.120 -3.440 1.00 0.00 C ATOM 1311 C GLY B 86 13.265 0.894 -3.186 1.00 0.00 C ATOM 1312 O GLY B 86 14.442 0.601 -3.383 1.00 0.00 O ATOM 0 H GLY B 86 12.902 -0.497 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.223 0.275 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.380 -1.026 -2.872 1.00 0.00 H new ATOM 1316 N MET B 87 12.876 2.094 -2.757 1.00 0.00 N ATOM 1317 CA MET B 87 13.819 3.119 -2.399 1.00 0.00 C ATOM 1318 C MET B 87 13.220 4.058 -1.342 1.00 0.00 C ATOM 1319 O MET B 87 13.565 3.976 -0.166 1.00 0.00 O ATOM 1320 CB MET B 87 14.193 3.887 -3.655 1.00 0.00 C ATOM 1321 CG MET B 87 14.790 5.237 -3.381 1.00 0.00 C ATOM 1322 SD MET B 87 16.541 5.173 -2.952 1.00 0.00 S ATOM 1323 CE MET B 87 16.890 6.913 -2.702 1.00 0.00 C ATOM 0 H MET B 87 11.899 2.369 -2.653 1.00 0.00 H new ATOM 0 HA MET B 87 14.712 2.668 -1.966 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.903 3.296 -4.234 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.304 4.011 -4.273 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.662 5.868 -4.261 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.241 5.710 -2.567 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.938 7.038 -2.430 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.686 7.461 -3.622 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.259 7.299 -1.902 1.00 0.00 H new ATOM 1333 N TYR B 88 12.301 4.932 -1.761 1.00 0.00 N ATOM 1334 CA TYR B 88 11.726 5.923 -0.868 1.00 0.00 C ATOM 1335 C TYR B 88 10.205 5.803 -0.866 1.00 0.00 C ATOM 1336 O TYR B 88 9.539 6.256 -1.796 1.00 0.00 O ATOM 1337 CB TYR B 88 12.157 7.318 -1.327 1.00 0.00 C ATOM 1338 CG TYR B 88 11.926 8.416 -0.317 1.00 0.00 C ATOM 1339 CD1 TYR B 88 12.899 8.729 0.622 1.00 0.00 C ATOM 1340 CD2 TYR B 88 10.750 9.151 -0.315 1.00 0.00 C ATOM 1341 CE1 TYR B 88 12.706 9.746 1.536 1.00 0.00 C ATOM 1342 CE2 TYR B 88 10.549 10.168 0.599 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.530 10.462 1.521 1.00 0.00 C ATOM 1344 OH TYR B 88 11.338 11.481 2.429 1.00 0.00 O ATOM 0 H TYR B 88 11.943 4.968 -2.716 1.00 0.00 H new ATOM 0 HA TYR B 88 12.082 5.755 0.149 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.217 7.291 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.619 7.566 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR B 88 13.822 8.168 0.638 1.00 0.00 H new ATOM 0 HD2 TYR B 88 9.980 8.925 -1.038 1.00 0.00 H new ATOM 0 HE1 TYR B 88 13.474 9.979 2.259 1.00 0.00 H new ATOM 0 HE2 TYR B 88 9.627 10.730 0.591 1.00 0.00 H new ATOM 0 HH TYR B 88 10.458 11.887 2.284 1.00 0.00 H new ATOM 1354 N ILE B 89 9.671 5.154 0.157 1.00 0.00 N ATOM 1355 CA ILE B 89 8.232 4.936 0.268 1.00 0.00 C ATOM 1356 C ILE B 89 7.586 5.918 1.236 1.00 0.00 C ATOM 1357 O ILE B 89 7.935 5.948 2.417 1.00 0.00 O ATOM 1358 CB ILE B 89 7.914 3.509 0.763 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.694 2.473 -0.039 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.418 3.231 0.684 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.382 2.488 -1.511 1.00 0.00 C ATOM 0 H ILE B 89 10.214 4.766 0.928 1.00 0.00 H new ATOM 0 HA ILE B 89 7.828 5.084 -0.733 1.00 0.00 H new ATOM 0 HB ILE B 89 8.221 3.436 1.806 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.761 2.648 0.099 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.479 1.481 0.359 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.217 2.220 1.038 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.882 3.947 1.307 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.084 3.327 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.974 1.725 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.322 2.283 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.624 3.467 -1.924 1.00 0.00 H new ATOM 1373 N GLU B 90 6.643 6.707 0.748 1.00 0.00 N ATOM 1374 CA GLU B 90 5.878 7.592 1.616 1.00 0.00 C ATOM 1375 C GLU B 90 4.435 7.143 1.711 1.00 0.00 C ATOM 1376 O GLU B 90 4.022 6.167 1.084 1.00 0.00 O ATOM 1377 CB GLU B 90 5.899 9.036 1.129 1.00 0.00 C ATOM 1378 CG GLU B 90 7.263 9.691 1.183 1.00 0.00 C ATOM 1379 CD GLU B 90 7.685 9.999 2.603 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.179 10.989 3.176 1.00 0.00 O ATOM 1381 OE2 GLU B 90 8.516 9.258 3.163 1.00 0.00 O1- ATOM 0 H GLU B 90 6.389 6.754 -0.239 1.00 0.00 H new ATOM 0 HA GLU B 90 6.354 7.542 2.596 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.535 9.066 0.102 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.204 9.621 1.731 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.000 9.035 0.720 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.247 10.613 0.601 1.00 0.00 H new ATOM 1388 N ILE B 91 3.683 7.909 2.476 1.00 0.00 N ATOM 1389 CA ILE B 91 2.282 7.631 2.766 1.00 0.00 C ATOM 1390 C ILE B 91 1.570 8.941 3.079 1.00 0.00 C ATOM 1391 O ILE B 91 2.067 9.732 3.884 1.00 0.00 O ATOM 1392 CB ILE B 91 2.111 6.699 3.994 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.681 5.304 3.729 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.645 6.601 4.401 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.633 4.400 4.941 1.00 0.00 C ATOM 0 H ILE B 91 4.030 8.758 2.923 1.00 0.00 H new ATOM 0 HA ILE B 91 1.861 7.137 1.890 1.00 0.00 H new ATOM 0 HB ILE B 91 2.675 7.141 4.816 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.124 4.840 2.915 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.714 5.398 3.395 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.550 5.942 5.264 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.272 7.592 4.658 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.063 6.198 3.572 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.052 3.427 4.686 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.214 4.844 5.749 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.599 4.277 5.262 1.00 0.00 H new ATOM 1407 N LYS B 92 0.424 9.178 2.454 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.361 10.370 2.749 1.00 0.00 C ATOM 1409 C LYS B 92 -1.721 10.314 2.079 1.00 0.00 C ATOM 1410 O LYS B 92 -1.883 9.705 1.019 1.00 0.00 O ATOM 1411 CB LYS B 92 0.370 11.623 2.279 1.00 0.00 C ATOM 1412 CG LYS B 92 0.608 11.643 0.783 1.00 0.00 C ATOM 1413 CD LYS B 92 1.667 12.664 0.397 1.00 0.00 C ATOM 1414 CE LYS B 92 1.673 12.927 -1.100 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.760 13.856 -1.498 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.020 8.566 1.745 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.499 10.408 3.830 1.00 0.00 H new ATOM 0 HB2 LYS B 92 -0.209 12.502 2.561 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.328 11.693 2.795 1.00 0.00 H new ATOM 0 HG2 LYS B 92 0.919 10.653 0.450 1.00 0.00 H new ATOM 0 HG3 LYS B 92 -0.325 11.874 0.269 1.00 0.00 H new ATOM 0 HD2 LYS B 92 1.485 13.597 0.930 1.00 0.00 H new ATOM 0 HD3 LYS B 92 2.648 12.306 0.708 1.00 0.00 H new ATOM 0 HE2 LYS B 92 1.789 11.983 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS B 92 0.712 13.345 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.728 14.008 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 2.635 14.766 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 3.680 13.446 -1.237 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.692 10.946 2.711 1.00 0.00 N ATOM 1430 CA GLN B 93 -4.003 11.110 2.128 1.00 0.00 C ATOM 1431 C GLN B 93 -4.034 12.329 1.217 1.00 0.00 C ATOM 1432 O GLN B 93 -3.243 13.258 1.374 1.00 0.00 O ATOM 1433 CB GLN B 93 -5.077 11.184 3.222 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.721 12.024 4.452 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.568 13.508 4.172 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -5.552 14.249 4.147 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -3.333 13.965 4.012 1.00 0.00 N ATOM 0 H GLN B 93 -2.591 11.357 3.639 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.226 10.238 1.514 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.989 11.587 2.782 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.303 10.170 3.551 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -5.495 11.887 5.208 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -3.790 11.648 4.877 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.543 13.320 4.039 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -3.173 14.961 3.862 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.912 12.295 0.240 1.00 0.00 N ATOM 1447 CA ILE B 94 -5.009 13.358 -0.736 1.00 0.00 C ATOM 1448 C ILE B 94 -6.440 13.874 -0.845 1.00 0.00 C ATOM 1449 O ILE B 94 -7.196 13.392 -1.711 1.00 0.00 O ATOM 1450 CB ILE B 94 -4.499 12.861 -2.102 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.043 11.458 -2.383 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.981 12.841 -2.094 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.673 10.918 -3.744 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.810 14.753 -0.042 1.00 0.00 O ATOM 0 H ILE B 94 -5.576 11.534 0.099 1.00 0.00 H new ATOM 0 HA ILE B 94 -4.385 14.189 -0.408 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.846 13.533 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.671 10.775 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.129 11.476 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.617 12.490 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -2.605 13.847 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.630 12.172 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.095 9.921 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.068 11.577 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.588 10.866 -3.832 1.00 0.00 H new