USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 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 Single : B 10 MET CE :methyl -162:sc= -0.905 (180deg=-1.4) USER MOD Single : B 11 ASN : amide:sc= 0.0247 K(o=0.025,f=-3.2!) USER MOD Single : B 12 SER OG : rot 91:sc= 1.44 USER MOD Single : B 14 ASN : amide:sc= -0.636 K(o=-0.64,f=-0.11) USER MOD Single : B 15 SER OG : rot 180:sc= 0.00806 USER MOD Single : B 17 ASN : amide:sc= -2.3 K(o=-2.3,f=-0.4) USER MOD Single : B 19 LYS NZ :NH3+ 172:sc= 1.32 (180deg=1.22) USER MOD Single : B 21 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.3!) USER MOD Single : B 22 LYS NZ :NH3+ 163:sc= -0.0844 (180deg=-0.372) USER MOD Single : B 24 LYS NZ :NH3+ 175:sc= -1.23! (180deg=-1.76!) 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= -1.89! USER MOD Single : B 31 MET CE :methyl 178:sc= -4.87! (180deg=-4.91!) USER MOD Single : B 32 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.26) USER MOD Single : B 34 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 35 GLN : amide:sc= -1.62 K(o=-1.6,f=0) USER MOD Single : B 37 LYS NZ :NH3+ -172:sc= -0.0119 (180deg=-0.101) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.55 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot -155:sc= -0.66 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= 0.0734 X(o=0.073,f=0) USER MOD Single : B 59 ASN : amide:sc= -5.16! K(o=-5.2!,f=-1.8) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= -0.0119 (180deg=-0.0119) USER MOD Single : B 64 TYR OH : rot 180:sc=-0.00157 USER MOD Single : B 65 THR OG1 : rot 180:sc= -0.129 USER MOD Single : B 67 ASN : amide:sc= 0.778 K(o=0.78,f=-10!) USER MOD Single : B 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0387) USER MOD Single : B 70 SER OG : rot 180:sc= -2.12! USER MOD Single : B 71 THR OG1 : rot -30:sc= 0.371! USER MOD Single : B 74 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 76 SER OG : rot -140:sc= 0 USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 80 ASN : amide:sc= 1.1 K(o=1.1,f=-0.006) USER MOD Single : B 81 LYS NZ :NH3+ -140:sc= 1.2 (180deg=0.355) USER MOD Single : B 83 ASN : amide:sc= -0.0895 K(o=-0.089,f=-1) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 10.580 -1.880 4.210 1.00 0.00 N ATOM 145 CA MET B 10 10.248 -0.638 4.892 1.00 0.00 C ATOM 146 C MET B 10 8.940 -0.741 5.667 1.00 0.00 C ATOM 147 O MET B 10 8.217 -1.720 5.539 1.00 0.00 O ATOM 148 CB MET B 10 10.201 0.520 3.887 1.00 0.00 C ATOM 149 CG MET B 10 9.752 0.115 2.491 1.00 0.00 C ATOM 150 SD MET B 10 8.064 -0.511 2.439 1.00 0.00 S ATOM 151 CE MET B 10 7.989 -1.153 0.765 1.00 0.00 C ATOM 0 HA MET B 10 11.033 -0.441 5.622 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.526 1.288 4.265 1.00 0.00 H new ATOM 0 HB3 MET B 10 11.191 0.970 3.822 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.834 0.975 1.827 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.428 -0.649 2.107 1.00 0.00 H new ATOM 0 HE1 MET B 10 6.947 -1.279 0.470 1.00 0.00 H new ATOM 0 HE2 MET B 10 8.477 -0.454 0.085 1.00 0.00 H new ATOM 0 HE3 MET B 10 8.497 -2.116 0.722 1.00 0.00 H new ATOM 161 N ASN B 11 8.683 0.305 6.463 1.00 0.00 N ATOM 162 CA ASN B 11 7.576 0.422 7.437 1.00 0.00 C ATOM 163 C ASN B 11 6.248 -0.205 7.014 1.00 0.00 C ATOM 164 O ASN B 11 5.413 -0.533 7.863 1.00 0.00 O ATOM 165 CB ASN B 11 7.324 1.896 7.730 1.00 0.00 C ATOM 166 CG ASN B 11 8.461 2.556 8.493 1.00 0.00 C ATOM 167 OD1 ASN B 11 9.617 2.143 8.394 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.143 3.594 9.249 1.00 0.00 N ATOM 0 H ASN B 11 9.269 1.140 6.449 1.00 0.00 H new ATOM 0 HA ASN B 11 7.912 -0.139 8.309 1.00 0.00 H new ATOM 0 HB2 ASN B 11 7.170 2.426 6.790 1.00 0.00 H new ATOM 0 HB3 ASN B 11 6.404 1.994 8.306 1.00 0.00 H new ATOM 0 HD21 ASN B 11 8.867 4.082 9.776 1.00 0.00 H new ATOM 0 HD22 ASN B 11 7.174 3.906 9.305 1.00 0.00 H new ATOM 175 N SER B 12 6.051 -0.361 5.721 1.00 0.00 N ATOM 176 CA SER B 12 4.815 -0.895 5.181 1.00 0.00 C ATOM 177 C SER B 12 4.539 -2.311 5.688 1.00 0.00 C ATOM 178 O SER B 12 3.425 -2.810 5.521 1.00 0.00 O ATOM 179 CB SER B 12 4.878 -0.893 3.654 1.00 0.00 C ATOM 180 OG SER B 12 5.254 0.386 3.169 1.00 0.00 O ATOM 0 H SER B 12 6.744 -0.121 5.012 1.00 0.00 H new ATOM 0 HA SER B 12 3.998 -0.257 5.519 1.00 0.00 H new ATOM 0 HB2 SER B 12 5.594 -1.641 3.314 1.00 0.00 H new ATOM 0 HB3 SER B 12 3.907 -1.172 3.245 1.00 0.00 H new ATOM 0 HG SER B 12 6.229 0.429 3.081 1.00 0.00 H new ATOM 186 N ILE B 13 5.545 -2.949 6.314 1.00 0.00 N ATOM 187 CA ILE B 13 5.390 -4.316 6.795 1.00 0.00 C ATOM 188 C ILE B 13 4.163 -4.414 7.682 1.00 0.00 C ATOM 189 O ILE B 13 3.313 -5.287 7.516 1.00 0.00 O ATOM 190 CB ILE B 13 6.571 -4.845 7.640 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.858 -4.111 7.331 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.753 -6.337 7.413 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.006 -2.902 8.198 1.00 0.00 C ATOM 0 H ILE B 13 6.461 -2.537 6.493 1.00 0.00 H new ATOM 0 HA ILE B 13 5.320 -4.917 5.888 1.00 0.00 H new ATOM 0 HB ILE B 13 6.331 -4.665 8.688 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.707 -4.778 7.483 1.00 0.00 H new ATOM 0 HG13 ILE B 13 7.869 -3.814 6.282 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.588 -6.697 8.014 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.843 -6.863 7.703 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.958 -6.522 6.359 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.939 -2.393 7.956 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.168 -2.226 8.026 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.019 -3.205 9.245 1.00 0.00 H new ATOM 205 N ASN B 14 4.100 -3.499 8.638 1.00 0.00 N ATOM 206 CA ASN B 14 3.057 -3.497 9.640 1.00 0.00 C ATOM 207 C ASN B 14 2.057 -2.379 9.393 1.00 0.00 C ATOM 208 O ASN B 14 0.880 -2.632 9.165 1.00 0.00 O ATOM 209 CB ASN B 14 3.678 -3.330 11.024 1.00 0.00 C ATOM 210 CG ASN B 14 4.611 -4.470 11.388 1.00 0.00 C ATOM 211 OD1 ASN B 14 4.190 -5.478 11.956 1.00 0.00 O ATOM 212 ND2 ASN B 14 5.892 -4.314 11.082 1.00 0.00 N ATOM 0 H ASN B 14 4.773 -2.739 8.737 1.00 0.00 H new ATOM 0 HA ASN B 14 2.527 -4.448 9.582 1.00 0.00 H new ATOM 0 HB2 ASN B 14 4.228 -2.390 11.060 1.00 0.00 H new ATOM 0 HB3 ASN B 14 2.884 -3.263 11.768 1.00 0.00 H new ATOM 0 HD21 ASN B 14 6.565 -5.043 11.318 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.204 -3.465 10.611 1.00 0.00 H new ATOM 219 N SER B 15 2.549 -1.145 9.417 1.00 0.00 N ATOM 220 CA SER B 15 1.696 0.034 9.404 1.00 0.00 C ATOM 221 C SER B 15 0.786 0.080 8.179 1.00 0.00 C ATOM 222 O SER B 15 -0.433 -0.007 8.313 1.00 0.00 O ATOM 223 CB SER B 15 2.563 1.290 9.468 1.00 0.00 C ATOM 224 OG SER B 15 3.568 1.159 10.463 1.00 0.00 O ATOM 0 H SER B 15 3.547 -0.936 9.446 1.00 0.00 H new ATOM 0 HA SER B 15 1.047 -0.015 10.278 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.027 1.467 8.498 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.940 2.157 9.686 1.00 0.00 H new ATOM 0 HG SER B 15 4.113 1.973 10.487 1.00 0.00 H new ATOM 230 N VAL B 16 1.375 0.195 6.994 1.00 0.00 N ATOM 231 CA VAL B 16 0.592 0.323 5.764 1.00 0.00 C ATOM 232 C VAL B 16 -0.253 -0.926 5.530 1.00 0.00 C ATOM 233 O VAL B 16 -1.416 -0.841 5.130 1.00 0.00 O ATOM 234 CB VAL B 16 1.497 0.568 4.540 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.676 0.688 3.263 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.347 1.812 4.748 1.00 0.00 C ATOM 0 H VAL B 16 2.386 0.203 6.856 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.064 1.185 5.887 1.00 0.00 H new ATOM 0 HB VAL B 16 2.158 -0.292 4.433 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.342 0.860 2.417 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.116 -0.233 3.102 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.019 1.523 3.354 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.980 1.970 3.875 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.698 2.677 4.888 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.973 1.682 5.631 1.00 0.00 H new ATOM 246 N ASN B 17 0.346 -2.077 5.804 1.00 0.00 N ATOM 247 CA ASN B 17 -0.335 -3.361 5.690 1.00 0.00 C ATOM 248 C ASN B 17 -1.593 -3.387 6.555 1.00 0.00 C ATOM 249 O ASN B 17 -2.667 -3.770 6.090 1.00 0.00 O ATOM 250 CB ASN B 17 0.634 -4.478 6.101 1.00 0.00 C ATOM 251 CG ASN B 17 0.006 -5.862 6.191 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.475 -6.707 6.952 1.00 0.00 O ATOM 253 ND2 ASN B 17 -1.049 -6.111 5.434 1.00 0.00 N ATOM 0 H ASN B 17 1.316 -2.148 6.111 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.646 -3.515 4.657 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.454 -4.512 5.384 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.068 -4.227 7.069 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.499 -7.026 5.471 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.413 -5.388 4.813 1.00 0.00 H new ATOM 260 N ASP B 18 -1.463 -2.948 7.798 1.00 0.00 N ATOM 261 CA ASP B 18 -2.578 -2.964 8.726 1.00 0.00 C ATOM 262 C ASP B 18 -3.574 -1.856 8.412 1.00 0.00 C ATOM 263 O ASP B 18 -4.777 -2.072 8.446 1.00 0.00 O ATOM 264 CB ASP B 18 -2.069 -2.834 10.161 1.00 0.00 C ATOM 265 CG ASP B 18 -2.364 -4.065 10.993 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.579 -5.038 10.938 1.00 0.00 O ATOM 267 OD2 ASP B 18 -3.380 -4.067 11.718 1.00 0.00 O1- ATOM 0 H ASP B 18 -0.595 -2.577 8.185 1.00 0.00 H new ATOM 0 HA ASP B 18 -3.096 -3.917 8.618 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.993 -2.657 10.147 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.529 -1.964 10.629 1.00 0.00 H new ATOM 272 N LYS B 19 -3.062 -0.680 8.067 1.00 0.00 N ATOM 273 CA LYS B 19 -3.874 0.486 7.806 1.00 0.00 C ATOM 274 C LYS B 19 -4.975 0.201 6.784 1.00 0.00 C ATOM 275 O LYS B 19 -6.082 0.733 6.881 1.00 0.00 O ATOM 276 CB LYS B 19 -2.943 1.566 7.294 1.00 0.00 C ATOM 277 CG LYS B 19 -3.194 2.928 7.882 1.00 0.00 C ATOM 278 CD LYS B 19 -4.432 3.600 7.303 1.00 0.00 C ATOM 279 CE LYS B 19 -4.162 4.204 5.935 1.00 0.00 C ATOM 280 NZ LYS B 19 -5.299 5.037 5.453 1.00 0.00 N1+ ATOM 0 H LYS B 19 -2.061 -0.515 7.962 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.380 0.797 8.720 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.915 1.275 7.508 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -3.038 1.628 6.210 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.307 2.837 8.962 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.325 3.562 7.704 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -5.238 2.870 7.225 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.773 4.380 7.983 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.260 4.815 5.981 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.970 3.405 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.020 5.536 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -6.117 4.426 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.555 5.731 6.184 1.00 0.00 H new ATOM 294 N LEU B 20 -4.663 -0.645 5.816 1.00 0.00 N ATOM 295 CA LEU B 20 -5.593 -0.958 4.745 1.00 0.00 C ATOM 296 C LEU B 20 -6.501 -2.142 5.092 1.00 0.00 C ATOM 297 O LEU B 20 -7.699 -2.102 4.826 1.00 0.00 O ATOM 298 CB LEU B 20 -4.825 -1.240 3.456 1.00 0.00 C ATOM 299 CG LEU B 20 -4.103 -0.035 2.851 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.266 -0.463 1.657 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.103 1.040 2.448 1.00 0.00 C ATOM 0 H LEU B 20 -3.768 -1.129 5.751 1.00 0.00 H new ATOM 0 HA LEU B 20 -6.237 -0.090 4.605 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -4.091 -2.022 3.653 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.521 -1.635 2.716 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.437 0.384 3.605 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.759 0.406 1.238 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.526 -1.197 1.976 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.913 -0.906 0.899 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.571 1.890 2.020 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.795 0.635 1.709 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.660 1.366 3.326 1.00 0.00 H new ATOM 313 N ASN B 21 -5.941 -3.189 5.694 1.00 0.00 N ATOM 314 CA ASN B 21 -6.681 -4.409 5.935 1.00 0.00 C ATOM 315 C ASN B 21 -7.582 -4.321 7.170 1.00 0.00 C ATOM 316 O ASN B 21 -8.304 -5.270 7.483 1.00 0.00 O ATOM 317 CB ASN B 21 -5.700 -5.574 6.066 1.00 0.00 C ATOM 318 CG ASN B 21 -5.145 -5.783 7.468 1.00 0.00 C ATOM 319 OD1 ASN B 21 -4.935 -4.841 8.223 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.914 -7.037 7.829 1.00 0.00 N ATOM 0 H ASN B 21 -4.975 -3.209 6.021 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.343 -4.571 5.084 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.199 -6.489 5.747 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.868 -5.410 5.381 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.550 -7.241 8.760 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.100 -7.798 7.176 1.00 0.00 H new ATOM 327 N LYS B 22 -7.539 -3.196 7.874 1.00 0.00 N ATOM 328 CA LYS B 22 -8.369 -3.013 9.061 1.00 0.00 C ATOM 329 C LYS B 22 -9.833 -2.793 8.693 1.00 0.00 C ATOM 330 O LYS B 22 -10.664 -3.688 8.853 1.00 0.00 O ATOM 331 CB LYS B 22 -7.883 -1.839 9.913 1.00 0.00 C ATOM 332 CG LYS B 22 -6.580 -2.101 10.646 1.00 0.00 C ATOM 333 CD LYS B 22 -6.205 -0.945 11.559 1.00 0.00 C ATOM 334 CE LYS B 22 -7.191 -0.801 12.706 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.237 -2.022 13.553 1.00 0.00 N1+ ATOM 0 H LYS B 22 -6.942 -2.401 7.646 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.283 -3.931 9.642 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.757 -0.967 9.272 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.654 -1.590 10.642 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.671 -3.014 11.234 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.782 -2.266 9.922 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.203 -1.104 11.957 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.176 -0.020 10.984 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -6.912 0.056 13.319 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.185 -0.598 12.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -7.683 -1.796 14.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.790 -2.759 13.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.270 -2.367 13.718 1.00 0.00 H new ATOM 349 N GLY B 23 -10.142 -1.605 8.192 1.00 0.00 N ATOM 350 CA GLY B 23 -11.525 -1.234 7.963 1.00 0.00 C ATOM 351 C GLY B 23 -11.972 -1.396 6.524 1.00 0.00 C ATOM 352 O GLY B 23 -13.001 -0.844 6.125 1.00 0.00 O ATOM 0 H GLY B 23 -9.459 -0.890 7.940 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -12.165 -1.841 8.603 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.667 -0.196 8.263 1.00 0.00 H new ATOM 356 N LYS B 24 -11.203 -2.137 5.737 1.00 0.00 N ATOM 357 CA LYS B 24 -11.564 -2.390 4.353 1.00 0.00 C ATOM 358 C LYS B 24 -11.500 -3.875 4.058 1.00 0.00 C ATOM 359 O LYS B 24 -11.546 -4.708 4.965 1.00 0.00 O ATOM 360 CB LYS B 24 -10.621 -1.662 3.392 1.00 0.00 C ATOM 361 CG LYS B 24 -10.142 -0.322 3.904 1.00 0.00 C ATOM 362 CD LYS B 24 -9.109 0.312 2.984 1.00 0.00 C ATOM 363 CE LYS B 24 -9.743 0.815 1.704 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.793 1.614 0.884 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.329 -2.571 6.034 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.579 -2.020 4.207 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.756 -2.296 3.197 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.130 -1.515 2.440 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.994 0.350 4.008 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.712 -0.448 4.898 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -8.620 1.139 3.499 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -8.335 -0.418 2.746 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -10.101 -0.033 1.120 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -10.613 1.425 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -9.242 1.866 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.536 2.481 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.936 1.054 0.701 1.00 0.00 H new ATOM 378 N GLY B 25 -11.404 -4.191 2.778 1.00 0.00 N ATOM 379 CA GLY B 25 -11.189 -5.556 2.372 1.00 0.00 C ATOM 380 C GLY B 25 -9.829 -6.023 2.828 1.00 0.00 C ATOM 381 O GLY B 25 -8.864 -5.260 2.769 1.00 0.00 O ATOM 0 H GLY B 25 -11.472 -3.521 2.012 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.963 -6.196 2.796 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.266 -5.638 1.288 1.00 0.00 H new ATOM 385 N LYS B 26 -9.750 -7.256 3.305 1.00 0.00 N ATOM 386 CA LYS B 26 -8.513 -7.770 3.867 1.00 0.00 C ATOM 387 C LYS B 26 -7.432 -7.793 2.808 1.00 0.00 C ATOM 388 O LYS B 26 -7.668 -8.227 1.684 1.00 0.00 O ATOM 389 CB LYS B 26 -8.701 -9.180 4.415 1.00 0.00 C ATOM 390 CG LYS B 26 -9.966 -9.365 5.230 1.00 0.00 C ATOM 391 CD LYS B 26 -9.997 -10.740 5.866 1.00 0.00 C ATOM 392 CE LYS B 26 -11.402 -11.137 6.273 1.00 0.00 C ATOM 393 NZ LYS B 26 -11.424 -12.445 6.974 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.527 -7.917 3.314 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.220 -7.111 4.684 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -8.712 -9.883 3.582 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -7.842 -9.434 5.035 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.021 -8.600 6.004 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.839 -9.235 4.590 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.600 -11.474 5.165 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.348 -10.751 6.741 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.823 -10.369 6.922 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.036 -11.188 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.402 -12.682 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.046 -13.182 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -10.839 -12.389 7.832 1.00 0.00 H new ATOM 407 N LEU B 27 -6.260 -7.315 3.169 1.00 0.00 N ATOM 408 CA LEU B 27 -5.149 -7.274 2.279 1.00 0.00 C ATOM 409 C LEU B 27 -3.883 -7.612 3.056 1.00 0.00 C ATOM 410 O LEU B 27 -3.306 -6.762 3.733 1.00 0.00 O ATOM 411 CB LEU B 27 -5.060 -5.888 1.654 1.00 0.00 C ATOM 412 CG LEU B 27 -3.788 -5.643 0.882 1.00 0.00 C ATOM 413 CD1 LEU B 27 -3.768 -6.467 -0.396 1.00 0.00 C ATOM 414 CD2 LEU B 27 -3.602 -4.163 0.580 1.00 0.00 C ATOM 0 H LEU B 27 -6.063 -6.944 4.099 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.270 -8.003 1.478 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.910 -5.746 0.987 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.144 -5.139 2.442 1.00 0.00 H new ATOM 0 HG LEU B 27 -2.951 -5.960 1.505 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.842 -6.275 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.830 -7.526 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.618 -6.191 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.676 -4.019 0.023 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.443 -3.804 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.554 -3.604 1.515 1.00 0.00 H new ATOM 426 N SER B 28 -3.487 -8.868 2.990 1.00 0.00 N ATOM 427 CA SER B 28 -2.311 -9.341 3.695 1.00 0.00 C ATOM 428 C SER B 28 -1.072 -9.117 2.839 1.00 0.00 C ATOM 429 O SER B 28 -1.032 -9.532 1.684 1.00 0.00 O ATOM 430 CB SER B 28 -2.475 -10.823 4.027 1.00 0.00 C ATOM 431 OG SER B 28 -3.650 -11.040 4.793 1.00 0.00 O ATOM 0 H SER B 28 -3.968 -9.587 2.449 1.00 0.00 H new ATOM 0 HA SER B 28 -2.194 -8.785 4.625 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.523 -11.404 3.106 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.604 -11.175 4.580 1.00 0.00 H new ATOM 0 HG SER B 28 -3.738 -11.995 4.994 1.00 0.00 H new ATOM 437 N LEU B 29 -0.069 -8.456 3.398 1.00 0.00 N ATOM 438 CA LEU B 29 1.108 -8.091 2.629 1.00 0.00 C ATOM 439 C LEU B 29 2.323 -8.925 2.985 1.00 0.00 C ATOM 440 O LEU B 29 2.379 -9.602 4.012 1.00 0.00 O ATOM 441 CB LEU B 29 1.476 -6.620 2.817 1.00 0.00 C ATOM 442 CG LEU B 29 0.816 -5.626 1.858 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.683 -5.592 2.055 1.00 0.00 C ATOM 444 CD2 LEU B 29 1.407 -4.237 2.049 1.00 0.00 C ATOM 0 H LEU B 29 -0.047 -8.164 4.375 1.00 0.00 H new ATOM 0 HA LEU B 29 0.836 -8.280 1.590 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.221 -6.332 3.837 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.557 -6.523 2.719 1.00 0.00 H new ATOM 0 HG LEU B 29 1.014 -5.957 0.838 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.125 -4.877 1.361 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.097 -6.583 1.869 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.909 -5.291 3.078 1.00 0.00 H new ATOM 0 HD21 LEU B 29 0.929 -3.540 1.361 1.00 0.00 H new ATOM 0 HD22 LEU B 29 1.238 -3.908 3.074 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.478 -4.267 1.849 1.00 0.00 H new ATOM 456 N SER B 30 3.276 -8.847 2.087 1.00 0.00 N ATOM 457 CA SER B 30 4.593 -9.393 2.244 1.00 0.00 C ATOM 458 C SER B 30 5.493 -8.680 1.249 1.00 0.00 C ATOM 459 O SER B 30 5.043 -8.305 0.167 1.00 0.00 O ATOM 460 CB SER B 30 4.585 -10.888 1.984 1.00 0.00 C ATOM 461 OG SER B 30 3.741 -11.217 0.893 1.00 0.00 O ATOM 0 H SER B 30 3.144 -8.380 1.190 1.00 0.00 H new ATOM 0 HA SER B 30 4.953 -9.246 3.262 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.600 -11.229 1.777 1.00 0.00 H new ATOM 0 HB3 SER B 30 4.248 -11.413 2.878 1.00 0.00 H new ATOM 0 HG SER B 30 3.757 -12.186 0.748 1.00 0.00 H new ATOM 467 N MET B 31 6.739 -8.464 1.598 1.00 0.00 N ATOM 468 CA MET B 31 7.600 -7.653 0.760 1.00 0.00 C ATOM 469 C MET B 31 8.904 -8.359 0.453 1.00 0.00 C ATOM 470 O MET B 31 9.435 -9.104 1.277 1.00 0.00 O ATOM 471 CB MET B 31 7.872 -6.308 1.426 1.00 0.00 C ATOM 472 CG MET B 31 6.602 -5.545 1.761 1.00 0.00 C ATOM 473 SD MET B 31 6.930 -3.920 2.461 1.00 0.00 S ATOM 474 CE MET B 31 7.924 -4.370 3.876 1.00 0.00 C ATOM 0 H MET B 31 7.178 -8.831 2.443 1.00 0.00 H new ATOM 0 HA MET B 31 7.082 -7.486 -0.184 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.444 -6.470 2.340 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.491 -5.700 0.766 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.002 -5.432 0.858 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.009 -6.127 2.467 1.00 0.00 H new ATOM 0 HE1 MET B 31 8.241 -3.468 4.400 1.00 0.00 H new ATOM 0 HE2 MET B 31 7.337 -4.994 4.550 1.00 0.00 H new ATOM 0 HE3 MET B 31 8.802 -4.923 3.543 1.00 0.00 H new ATOM 484 N ASN B 32 9.403 -8.119 -0.746 1.00 0.00 N ATOM 485 CA ASN B 32 10.666 -8.680 -1.185 1.00 0.00 C ATOM 486 C ASN B 32 11.439 -7.596 -1.932 1.00 0.00 C ATOM 487 O ASN B 32 11.732 -7.724 -3.119 1.00 0.00 O ATOM 488 CB ASN B 32 10.410 -9.917 -2.070 1.00 0.00 C ATOM 489 CG ASN B 32 11.653 -10.766 -2.348 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.550 -11.982 -2.514 1.00 0.00 O ATOM 491 ND2 ASN B 32 12.824 -10.151 -2.424 1.00 0.00 N ATOM 0 H ASN B 32 8.944 -7.530 -1.441 1.00 0.00 H new ATOM 0 HA ASN B 32 11.260 -9.010 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.658 -10.543 -1.589 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.990 -9.588 -3.021 1.00 0.00 H new ATOM 0 HD21 ASN B 32 13.669 -10.686 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN B 32 12.881 -9.142 -2.282 1.00 0.00 H new ATOM 498 N GLY B 33 11.739 -6.520 -1.212 1.00 0.00 N ATOM 499 CA GLY B 33 12.445 -5.389 -1.785 1.00 0.00 C ATOM 500 C GLY B 33 11.682 -4.743 -2.914 1.00 0.00 C ATOM 501 O GLY B 33 10.784 -3.934 -2.686 1.00 0.00 O ATOM 0 H GLY B 33 11.501 -6.411 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.631 -4.649 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.417 -5.719 -2.150 1.00 0.00 H new ATOM 505 N ASN B 34 12.024 -5.123 -4.132 1.00 0.00 N ATOM 506 CA ASN B 34 11.373 -4.587 -5.313 1.00 0.00 C ATOM 507 C ASN B 34 10.129 -5.392 -5.656 1.00 0.00 C ATOM 508 O ASN B 34 9.722 -5.462 -6.812 1.00 0.00 O ATOM 509 CB ASN B 34 12.336 -4.566 -6.505 1.00 0.00 C ATOM 510 CG ASN B 34 13.379 -3.465 -6.401 1.00 0.00 C ATOM 511 OD1 ASN B 34 13.787 -3.072 -5.309 1.00 0.00 O ATOM 512 ND2 ASN B 34 13.815 -2.956 -7.542 1.00 0.00 N ATOM 0 H ASN B 34 12.755 -5.806 -4.329 1.00 0.00 H new ATOM 0 HA ASN B 34 11.073 -3.562 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN B 34 12.839 -5.531 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN B 34 11.766 -4.434 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN B 34 14.513 -2.212 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN B 34 13.453 -3.308 -8.429 1.00 0.00 H new ATOM 519 N GLN B 35 9.541 -6.031 -4.655 1.00 0.00 N ATOM 520 CA GLN B 35 8.268 -6.703 -4.833 1.00 0.00 C ATOM 521 C GLN B 35 7.361 -6.439 -3.662 1.00 0.00 C ATOM 522 O GLN B 35 7.800 -6.361 -2.513 1.00 0.00 O ATOM 523 CB GLN B 35 8.421 -8.212 -4.991 1.00 0.00 C ATOM 524 CG GLN B 35 9.449 -8.593 -6.026 1.00 0.00 C ATOM 525 CD GLN B 35 9.544 -10.090 -6.260 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.864 -10.536 -7.361 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.283 -10.876 -5.229 1.00 0.00 N ATOM 0 H GLN B 35 9.927 -6.097 -3.713 1.00 0.00 H new ATOM 0 HA GLN B 35 7.837 -6.300 -5.749 1.00 0.00 H new ATOM 0 HB2 GLN B 35 8.701 -8.646 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN B 35 7.458 -8.643 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN B 35 9.206 -8.100 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN B 35 10.424 -8.219 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN B 35 9.021 -10.469 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.344 -11.889 -5.332 1.00 0.00 H new ATOM 536 N LEU B 36 6.097 -6.336 -3.975 1.00 0.00 N ATOM 537 CA LEU B 36 5.063 -6.183 -2.973 1.00 0.00 C ATOM 538 C LEU B 36 4.035 -7.267 -3.206 1.00 0.00 C ATOM 539 O LEU B 36 3.248 -7.210 -4.149 1.00 0.00 O ATOM 540 CB LEU B 36 4.410 -4.801 -3.041 1.00 0.00 C ATOM 541 CG LEU B 36 3.764 -4.302 -1.739 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.358 -2.844 -1.878 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.553 -5.146 -1.362 1.00 0.00 C ATOM 0 H LEU B 36 5.749 -6.355 -4.934 1.00 0.00 H new ATOM 0 HA LEU B 36 5.501 -6.273 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.165 -4.078 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.647 -4.818 -3.820 1.00 0.00 H new ATOM 0 HG LEU B 36 4.503 -4.395 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.902 -2.503 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU B 36 4.239 -2.240 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.641 -2.742 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.119 -4.767 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.811 -5.094 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.861 -6.182 -1.221 1.00 0.00 H new ATOM 555 N LYS B 37 4.067 -8.255 -2.353 1.00 0.00 N ATOM 556 CA LYS B 37 3.242 -9.429 -2.512 1.00 0.00 C ATOM 557 C LYS B 37 2.073 -9.326 -1.553 1.00 0.00 C ATOM 558 O LYS B 37 2.246 -8.912 -0.408 1.00 0.00 O ATOM 559 CB LYS B 37 4.061 -10.693 -2.231 1.00 0.00 C ATOM 560 CG LYS B 37 5.554 -10.549 -2.527 1.00 0.00 C ATOM 561 CD LYS B 37 5.854 -10.363 -4.007 1.00 0.00 C ATOM 562 CE LYS B 37 5.392 -11.550 -4.843 1.00 0.00 C ATOM 563 NZ LYS B 37 6.069 -12.813 -4.453 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.665 -8.272 -1.527 1.00 0.00 H new ATOM 0 HA LYS B 37 2.872 -9.491 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.934 -10.970 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.661 -11.512 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.948 -9.697 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS B 37 6.077 -11.434 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.364 -9.457 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.926 -10.220 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.314 -11.670 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.586 -11.347 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 5.826 -13.561 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 7.099 -12.668 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 5.757 -13.095 -3.502 1.00 0.00 H new ATOM 577 N ALA B 38 0.889 -9.687 -2.004 1.00 0.00 N ATOM 578 CA ALA B 38 -0.301 -9.457 -1.205 1.00 0.00 C ATOM 579 C ALA B 38 -1.441 -10.395 -1.572 1.00 0.00 C ATOM 580 O ALA B 38 -1.585 -10.801 -2.729 1.00 0.00 O ATOM 581 CB ALA B 38 -0.742 -8.010 -1.350 1.00 0.00 C ATOM 0 H ALA B 38 0.724 -10.134 -2.906 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.044 -9.664 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.635 -7.840 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.056 -7.351 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.963 -7.800 -2.397 1.00 0.00 H new ATOM 587 N THR B 39 -2.234 -10.735 -0.569 1.00 0.00 N ATOM 588 CA THR B 39 -3.428 -11.541 -0.744 1.00 0.00 C ATOM 589 C THR B 39 -4.628 -10.785 -0.179 1.00 0.00 C ATOM 590 O THR B 39 -4.458 -9.934 0.690 1.00 0.00 O ATOM 591 CB THR B 39 -3.273 -12.896 -0.034 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.548 -12.719 1.190 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.549 -13.901 -0.919 1.00 0.00 C ATOM 0 H THR B 39 -2.064 -10.456 0.397 1.00 0.00 H new ATOM 0 HA THR B 39 -3.581 -11.730 -1.806 1.00 0.00 H new ATOM 0 HB THR B 39 -4.268 -13.285 0.180 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.452 -13.584 1.641 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.454 -14.849 -0.390 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.117 -14.053 -1.837 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.557 -13.522 -1.164 1.00 0.00 H new ATOM 601 N SER B 40 -5.828 -11.077 -0.659 1.00 0.00 N ATOM 602 CA SER B 40 -6.985 -10.278 -0.286 1.00 0.00 C ATOM 603 C SER B 40 -8.212 -11.126 0.056 1.00 0.00 C ATOM 604 O SER B 40 -8.321 -12.283 -0.356 1.00 0.00 O ATOM 605 CB SER B 40 -7.305 -9.310 -1.423 1.00 0.00 C ATOM 606 OG SER B 40 -7.249 -9.966 -2.683 1.00 0.00 O ATOM 0 H SER B 40 -6.024 -11.848 -1.297 1.00 0.00 H new ATOM 0 HA SER B 40 -6.733 -9.730 0.622 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.298 -8.885 -1.274 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.598 -8.481 -1.409 1.00 0.00 H new ATOM 0 HG SER B 40 -7.459 -9.326 -3.395 1.00 0.00 H new ATOM 612 N SER B 41 -9.122 -10.535 0.828 1.00 0.00 N ATOM 613 CA SER B 41 -10.398 -11.159 1.152 1.00 0.00 C ATOM 614 C SER B 41 -11.519 -10.132 1.035 1.00 0.00 C ATOM 615 O SER B 41 -11.297 -8.929 1.191 1.00 0.00 O ATOM 616 CB SER B 41 -10.377 -11.750 2.559 1.00 0.00 C ATOM 617 OG SER B 41 -11.557 -12.492 2.827 1.00 0.00 O ATOM 0 H SER B 41 -8.994 -9.613 1.244 1.00 0.00 H new ATOM 0 HA SER B 41 -10.573 -11.970 0.445 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.506 -12.396 2.671 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.276 -10.948 3.291 1.00 0.00 H new ATOM 0 HG SER B 41 -11.513 -12.859 3.735 1.00 0.00 H new ATOM 623 N ASN B 42 -12.720 -10.617 0.781 1.00 0.00 N ATOM 624 CA ASN B 42 -13.852 -9.759 0.467 1.00 0.00 C ATOM 625 C ASN B 42 -14.926 -9.871 1.534 1.00 0.00 C ATOM 626 O ASN B 42 -16.113 -9.698 1.263 1.00 0.00 O ATOM 627 CB ASN B 42 -14.429 -10.115 -0.904 1.00 0.00 C ATOM 628 CG ASN B 42 -13.403 -9.982 -2.008 1.00 0.00 C ATOM 629 OD1 ASN B 42 -12.727 -10.949 -2.367 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.266 -8.782 -2.544 1.00 0.00 N ATOM 0 H ASN B 42 -12.940 -11.613 0.786 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.499 -8.728 0.441 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.807 -11.137 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.278 -9.466 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.581 -8.629 -3.284 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.846 -8.009 -2.218 1.00 0.00 H new ATOM 637 N ALA B 43 -14.493 -10.139 2.752 1.00 0.00 N ATOM 638 CA ALA B 43 -15.402 -10.376 3.876 1.00 0.00 C ATOM 639 C ALA B 43 -16.041 -9.090 4.417 1.00 0.00 C ATOM 640 O ALA B 43 -16.454 -9.042 5.577 1.00 0.00 O ATOM 641 CB ALA B 43 -14.666 -11.099 4.988 1.00 0.00 C ATOM 0 H ALA B 43 -13.505 -10.200 2.998 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.217 -10.994 3.500 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -15.346 -11.273 5.822 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -14.295 -12.054 4.617 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.827 -10.490 5.325 1.00 0.00 H new ATOM 647 N GLY B 44 -16.111 -8.051 3.597 1.00 0.00 N ATOM 648 CA GLY B 44 -16.708 -6.803 4.042 1.00 0.00 C ATOM 649 C GLY B 44 -16.260 -5.613 3.220 1.00 0.00 C ATOM 650 O GLY B 44 -16.977 -4.617 3.132 1.00 0.00 O ATOM 0 H GLY B 44 -15.768 -8.047 2.636 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.794 -6.886 3.991 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.450 -6.635 5.088 1.00 0.00 H new ATOM 654 N TYR B 45 -15.085 -5.745 2.600 1.00 0.00 N ATOM 655 CA TYR B 45 -14.450 -4.692 1.815 1.00 0.00 C ATOM 656 C TYR B 45 -14.479 -3.325 2.510 1.00 0.00 C ATOM 657 O TYR B 45 -14.516 -3.260 3.727 1.00 0.00 O ATOM 658 CB TYR B 45 -15.008 -4.635 0.390 1.00 0.00 C ATOM 659 CG TYR B 45 -16.475 -4.255 0.239 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.465 -5.229 0.236 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.865 -2.930 0.077 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.797 -4.895 0.083 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.195 -2.588 -0.080 1.00 0.00 C ATOM 664 CZ TYR B 45 -19.157 -3.575 -0.075 1.00 0.00 C ATOM 665 OH TYR B 45 -20.484 -3.239 -0.230 1.00 0.00 O ATOM 0 H TYR B 45 -14.540 -6.606 2.632 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.396 -4.958 1.737 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.412 -3.921 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.861 -5.612 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -17.189 -6.266 0.355 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.114 -2.153 0.074 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -19.553 -5.666 0.087 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.479 -1.554 -0.206 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.566 -2.267 -0.328 1.00 0.00 H new ATOM 675 N GLY B 46 -14.381 -2.243 1.747 1.00 0.00 N ATOM 676 CA GLY B 46 -14.361 -0.926 2.331 1.00 0.00 C ATOM 677 C GLY B 46 -15.697 -0.505 2.940 1.00 0.00 C ATOM 678 O GLY B 46 -16.630 -0.149 2.216 1.00 0.00 O ATOM 0 H GLY B 46 -14.315 -2.260 0.729 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.593 -0.892 3.103 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.076 -0.203 1.566 1.00 0.00 H new ATOM 682 N ILE B 47 -15.796 -0.561 4.272 1.00 0.00 N ATOM 683 CA ILE B 47 -17.000 -0.100 4.970 1.00 0.00 C ATOM 684 C ILE B 47 -16.660 1.012 5.944 1.00 0.00 C ATOM 685 O ILE B 47 -17.132 2.142 5.808 1.00 0.00 O ATOM 686 CB ILE B 47 -17.692 -1.193 5.814 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.310 -2.597 5.370 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.197 -1.014 5.760 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.101 -3.137 6.104 1.00 0.00 C ATOM 0 H ILE B 47 -15.063 -0.918 4.885 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.669 0.224 4.172 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.347 -1.079 6.842 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.155 -3.266 5.530 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.106 -2.592 4.299 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.677 -1.789 6.358 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.461 -0.034 6.157 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.536 -1.091 4.727 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.876 -4.141 5.745 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.245 -2.487 5.923 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.310 -3.172 7.173 1.00 0.00 H new ATOM 701 N SER B 48 -15.857 0.648 6.943 1.00 0.00 N ATOM 702 CA SER B 48 -15.489 1.527 8.044 1.00 0.00 C ATOM 703 C SER B 48 -15.029 2.887 7.560 1.00 0.00 C ATOM 704 O SER B 48 -15.529 3.924 7.999 1.00 0.00 O ATOM 705 CB SER B 48 -14.379 0.868 8.847 1.00 0.00 C ATOM 706 OG SER B 48 -14.815 -0.369 9.386 1.00 0.00 O ATOM 0 H SER B 48 -15.439 -0.280 7.008 1.00 0.00 H new ATOM 0 HA SER B 48 -16.372 1.685 8.663 1.00 0.00 H new ATOM 0 HB2 SER B 48 -13.510 0.706 8.210 1.00 0.00 H new ATOM 0 HB3 SER B 48 -14.064 1.531 9.653 1.00 0.00 H new ATOM 0 HG SER B 48 -14.086 -0.778 9.898 1.00 0.00 H new ATOM 712 N TYR B 49 -14.064 2.872 6.670 1.00 0.00 N ATOM 713 CA TYR B 49 -13.538 4.101 6.110 1.00 0.00 C ATOM 714 C TYR B 49 -14.482 4.625 5.047 1.00 0.00 C ATOM 715 O TYR B 49 -14.862 3.901 4.126 1.00 0.00 O ATOM 716 CB TYR B 49 -12.165 3.887 5.482 1.00 0.00 C ATOM 717 CG TYR B 49 -11.181 3.113 6.325 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.251 3.105 7.710 1.00 0.00 C ATOM 719 CD2 TYR B 49 -10.174 2.387 5.718 1.00 0.00 C ATOM 720 CE1 TYR B 49 -10.343 2.389 8.462 1.00 0.00 C ATOM 721 CE2 TYR B 49 -9.262 1.670 6.460 1.00 0.00 C ATOM 722 CZ TYR B 49 -9.350 1.672 7.831 1.00 0.00 C ATOM 723 OH TYR B 49 -8.445 0.951 8.572 1.00 0.00 O ATOM 0 H TYR B 49 -13.625 2.022 6.316 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.442 4.820 6.924 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.295 3.365 4.534 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.733 4.861 5.252 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.028 3.667 8.207 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -10.101 2.382 4.640 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -10.410 2.390 9.540 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -8.482 1.109 5.967 1.00 0.00 H new ATOM 0 HH TYR B 49 -7.618 0.838 8.058 1.00 0.00 H new ATOM 733 N GLU B 50 -14.869 5.879 5.181 1.00 0.00 N ATOM 734 CA GLU B 50 -15.722 6.513 4.195 1.00 0.00 C ATOM 735 C GLU B 50 -14.878 7.051 3.047 1.00 0.00 C ATOM 736 O GLU B 50 -13.693 6.727 2.949 1.00 0.00 O ATOM 737 CB GLU B 50 -16.551 7.618 4.846 1.00 0.00 C ATOM 738 CG GLU B 50 -17.472 7.093 5.935 1.00 0.00 C ATOM 739 CD GLU B 50 -18.323 8.170 6.565 1.00 0.00 C ATOM 740 OE1 GLU B 50 -19.417 8.456 6.033 1.00 0.00 O ATOM 741 OE2 GLU B 50 -17.910 8.731 7.603 1.00 0.00 O1- ATOM 0 H GLU B 50 -14.606 6.479 5.963 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.414 5.775 3.788 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -15.882 8.367 5.271 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.146 8.119 4.082 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.122 6.326 5.514 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -16.873 6.614 6.709 1.00 0.00 H new ATOM 748 N ASP B 51 -15.475 7.857 2.182 1.00 0.00 N ATOM 749 CA ASP B 51 -14.770 8.369 1.014 1.00 0.00 C ATOM 750 C ASP B 51 -13.561 9.196 1.417 1.00 0.00 C ATOM 751 O ASP B 51 -13.680 10.306 1.936 1.00 0.00 O ATOM 752 CB ASP B 51 -15.712 9.191 0.132 1.00 0.00 C ATOM 753 CG ASP B 51 -14.984 10.001 -0.928 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.528 9.409 -1.926 1.00 0.00 O ATOM 755 OD2 ASP B 51 -14.878 11.236 -0.776 1.00 0.00 O1- ATOM 0 H ASP B 51 -16.442 8.170 2.265 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.414 7.514 0.440 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.421 8.521 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -16.292 9.866 0.761 1.00 0.00 H new ATOM 760 N LYS B 52 -12.399 8.620 1.172 1.00 0.00 N ATOM 761 CA LYS B 52 -11.119 9.258 1.430 1.00 0.00 C ATOM 762 C LYS B 52 -10.108 8.727 0.431 1.00 0.00 C ATOM 763 O LYS B 52 -10.118 7.540 0.115 1.00 0.00 O ATOM 764 CB LYS B 52 -10.632 8.971 2.856 1.00 0.00 C ATOM 765 CG LYS B 52 -11.548 9.506 3.949 1.00 0.00 C ATOM 766 CD LYS B 52 -10.979 9.263 5.338 1.00 0.00 C ATOM 767 CE LYS B 52 -10.837 7.780 5.640 1.00 0.00 C ATOM 768 NZ LYS B 52 -10.262 7.547 6.990 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.315 7.681 0.782 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.233 10.337 1.326 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.526 7.893 2.982 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.641 9.406 2.984 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.702 10.575 3.802 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.525 9.029 3.869 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.005 9.745 5.421 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -11.628 9.725 6.082 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.813 7.300 5.572 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -10.200 7.315 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -10.180 6.524 7.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.320 7.984 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -10.883 7.969 7.709 1.00 0.00 H new ATOM 782 N ASN B 53 -9.244 9.590 -0.064 1.00 0.00 N ATOM 783 CA ASN B 53 -8.298 9.205 -1.101 1.00 0.00 C ATOM 784 C ASN B 53 -6.869 9.520 -0.695 1.00 0.00 C ATOM 785 O ASN B 53 -6.537 10.665 -0.374 1.00 0.00 O ATOM 786 CB ASN B 53 -8.641 9.902 -2.426 1.00 0.00 C ATOM 787 CG ASN B 53 -9.214 11.300 -2.236 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.429 11.472 -2.111 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.358 12.309 -2.225 1.00 0.00 N ATOM 0 H ASN B 53 -9.174 10.563 0.233 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.377 8.126 -1.237 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.742 9.965 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.360 9.293 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.697 13.264 -2.111 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.359 12.132 -2.331 1.00 0.00 H new ATOM 796 N TRP B 54 -6.019 8.502 -0.710 1.00 0.00 N ATOM 797 CA TRP B 54 -4.621 8.683 -0.399 1.00 0.00 C ATOM 798 C TRP B 54 -3.765 7.774 -1.281 1.00 0.00 C ATOM 799 O TRP B 54 -4.294 6.910 -1.985 1.00 0.00 O ATOM 800 CB TRP B 54 -4.364 8.445 1.092 1.00 0.00 C ATOM 801 CG TRP B 54 -4.430 7.020 1.544 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.547 6.276 1.786 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.313 6.182 1.848 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.191 5.018 2.218 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.820 4.937 2.262 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.927 6.369 1.802 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.988 3.880 2.632 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.106 5.321 2.168 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.638 4.091 2.577 1.00 0.00 C ATOM 0 H TRP B 54 -6.281 7.542 -0.936 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.338 9.714 -0.612 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.379 8.840 1.339 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.091 9.022 1.664 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.562 6.623 1.658 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.838 4.269 2.465 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.508 7.313 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.395 2.931 2.950 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.034 5.452 2.139 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.967 3.292 2.855 1.00 0.00 H new ATOM 820 N GLY B 55 -2.456 7.981 -1.258 1.00 0.00 N ATOM 821 CA GLY B 55 -1.584 7.264 -2.164 1.00 0.00 C ATOM 822 C GLY B 55 -0.308 6.782 -1.505 1.00 0.00 C ATOM 823 O GLY B 55 0.197 7.414 -0.575 1.00 0.00 O ATOM 0 H GLY B 55 -1.984 8.631 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.120 6.408 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.330 7.912 -3.003 1.00 0.00 H new ATOM 827 N ILE B 56 0.207 5.653 -1.978 1.00 0.00 N ATOM 828 CA ILE B 56 1.518 5.177 -1.570 1.00 0.00 C ATOM 829 C ILE B 56 2.510 5.406 -2.707 1.00 0.00 C ATOM 830 O ILE B 56 2.122 5.409 -3.880 1.00 0.00 O ATOM 831 CB ILE B 56 1.482 3.683 -1.203 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.277 3.391 -0.313 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.767 3.276 -0.492 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.072 1.928 -0.237 1.00 0.00 C ATOM 0 H ILE B 56 -0.269 5.049 -2.648 1.00 0.00 H new ATOM 0 HA ILE B 56 1.828 5.732 -0.684 1.00 0.00 H new ATOM 0 HB ILE B 56 1.395 3.103 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.479 3.761 0.692 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.585 3.943 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.724 2.216 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.619 3.459 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.879 3.862 0.421 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.937 1.794 0.412 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.306 1.557 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.774 1.373 0.167 1.00 0.00 H new ATOM 846 N PHE B 57 3.776 5.609 -2.365 1.00 0.00 N ATOM 847 CA PHE B 57 4.778 6.022 -3.347 1.00 0.00 C ATOM 848 C PHE B 57 6.023 5.161 -3.277 1.00 0.00 C ATOM 849 O PHE B 57 6.472 4.810 -2.192 1.00 0.00 O ATOM 850 CB PHE B 57 5.105 7.499 -3.123 1.00 0.00 C ATOM 851 CG PHE B 57 3.857 8.315 -3.211 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.391 8.722 -4.441 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.099 8.589 -2.085 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.201 9.400 -4.554 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.897 9.252 -2.195 1.00 0.00 C ATOM 856 CZ PHE B 57 1.447 9.660 -3.433 1.00 0.00 C ATOM 0 H PHE B 57 4.136 5.495 -1.417 1.00 0.00 H new ATOM 0 HA PHE B 57 4.372 5.888 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.570 7.633 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.825 7.838 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.968 8.506 -5.328 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.453 8.280 -1.113 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.857 9.729 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.307 9.452 -1.313 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.506 10.182 -3.522 1.00 0.00 H new ATOM 866 N VAL B 58 6.581 4.814 -4.439 1.00 0.00 N ATOM 867 CA VAL B 58 7.757 3.976 -4.474 1.00 0.00 C ATOM 868 C VAL B 58 8.843 4.644 -5.294 1.00 0.00 C ATOM 869 O VAL B 58 8.582 5.181 -6.368 1.00 0.00 O ATOM 870 CB VAL B 58 7.457 2.565 -5.020 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.131 2.592 -6.509 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.628 1.643 -4.734 1.00 0.00 C ATOM 0 H VAL B 58 6.234 5.102 -5.354 1.00 0.00 H new ATOM 0 HA VAL B 58 8.102 3.851 -3.447 1.00 0.00 H new ATOM 0 HB VAL B 58 6.573 2.183 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.926 1.579 -6.855 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.255 3.218 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.979 2.999 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.411 0.648 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.524 2.033 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.791 1.585 -3.658 1.00 0.00 H new ATOM 882 N ASN B 59 10.060 4.632 -4.754 1.00 0.00 N ATOM 883 CA ASN B 59 11.209 5.336 -5.331 1.00 0.00 C ATOM 884 C ASN B 59 10.982 6.842 -5.248 1.00 0.00 C ATOM 885 O ASN B 59 11.849 7.635 -5.609 1.00 0.00 O ATOM 886 CB ASN B 59 11.458 4.948 -6.795 1.00 0.00 C ATOM 887 CG ASN B 59 11.281 3.470 -7.080 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.187 2.664 -6.879 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.112 3.116 -7.591 1.00 0.00 N ATOM 0 H ASN B 59 10.281 4.129 -3.895 1.00 0.00 H new ATOM 0 HA ASN B 59 12.087 5.046 -4.754 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.777 5.514 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.471 5.242 -7.071 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.936 2.141 -7.834 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.387 3.818 -7.741 1.00 0.00 H new ATOM 896 N GLY B 60 9.818 7.220 -4.738 1.00 0.00 N ATOM 897 CA GLY B 60 9.406 8.597 -4.745 1.00 0.00 C ATOM 898 C GLY B 60 8.285 8.840 -5.745 1.00 0.00 C ATOM 899 O GLY B 60 7.716 9.932 -5.812 1.00 0.00 O ATOM 0 H GLY B 60 9.146 6.580 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.073 8.883 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.258 9.231 -4.991 1.00 0.00 H new ATOM 903 N GLU B 61 7.976 7.804 -6.515 1.00 0.00 N ATOM 904 CA GLU B 61 6.940 7.830 -7.526 1.00 0.00 C ATOM 905 C GLU B 61 5.657 7.301 -6.935 1.00 0.00 C ATOM 906 O GLU B 61 5.659 6.857 -5.813 1.00 0.00 O ATOM 907 CB GLU B 61 7.346 6.917 -8.671 1.00 0.00 C ATOM 908 CG GLU B 61 8.284 7.535 -9.689 1.00 0.00 C ATOM 909 CD GLU B 61 9.541 8.123 -9.086 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.448 7.349 -8.724 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 9.634 9.363 -8.990 1.00 0.00 O ATOM 0 H GLU B 61 8.453 6.905 -6.448 1.00 0.00 H new ATOM 0 HA GLU B 61 6.801 8.851 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.822 6.029 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.445 6.584 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.564 6.775 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU B 61 7.752 8.317 -10.231 1.00 0.00 H new ATOM 918 N LYS B 62 4.574 7.312 -7.684 1.00 0.00 N ATOM 919 CA LYS B 62 3.359 6.647 -7.233 1.00 0.00 C ATOM 920 C LYS B 62 3.602 5.137 -7.191 1.00 0.00 C ATOM 921 O LYS B 62 4.598 4.646 -7.724 1.00 0.00 O ATOM 922 CB LYS B 62 2.188 6.990 -8.166 1.00 0.00 C ATOM 923 CG LYS B 62 0.820 6.596 -7.627 1.00 0.00 C ATOM 924 CD LYS B 62 0.276 7.636 -6.661 1.00 0.00 C ATOM 925 CE LYS B 62 0.251 9.009 -7.310 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.652 9.961 -6.610 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.505 7.765 -8.595 1.00 0.00 H new ATOM 0 HA LYS B 62 3.100 6.992 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.194 8.063 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.345 6.494 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.124 6.471 -8.457 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.891 5.632 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.730 7.358 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.893 7.664 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.261 9.418 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.067 8.910 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.630 10.881 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.623 9.588 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.335 10.081 -5.627 1.00 0.00 H new ATOM 940 N VAL B 63 2.757 4.422 -6.472 1.00 0.00 N ATOM 941 CA VAL B 63 2.737 2.966 -6.544 1.00 0.00 C ATOM 942 C VAL B 63 1.352 2.440 -6.187 1.00 0.00 C ATOM 943 O VAL B 63 1.043 1.269 -6.401 1.00 0.00 O ATOM 944 CB VAL B 63 3.795 2.315 -5.618 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.406 2.434 -4.153 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.026 0.857 -5.996 1.00 0.00 C ATOM 0 H VAL B 63 2.073 4.823 -5.830 1.00 0.00 H new ATOM 0 HA VAL B 63 2.984 2.694 -7.570 1.00 0.00 H new ATOM 0 HB VAL B 63 4.729 2.859 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.172 1.966 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.316 3.487 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.451 1.935 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.773 0.423 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.091 0.304 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.379 0.800 -7.026 1.00 0.00 H new ATOM 956 N TYR B 64 0.506 3.317 -5.662 1.00 0.00 N ATOM 957 CA TYR B 64 -0.806 2.901 -5.205 1.00 0.00 C ATOM 958 C TYR B 64 -1.738 4.096 -5.101 1.00 0.00 C ATOM 959 O TYR B 64 -1.378 5.132 -4.540 1.00 0.00 O ATOM 960 CB TYR B 64 -0.680 2.231 -3.842 1.00 0.00 C ATOM 961 CG TYR B 64 -1.464 0.950 -3.684 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.754 0.827 -4.176 1.00 0.00 C ATOM 963 CD2 TYR B 64 -0.907 -0.142 -3.031 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.468 -0.347 -4.016 1.00 0.00 C ATOM 965 CE2 TYR B 64 -1.614 -1.316 -2.866 1.00 0.00 C ATOM 966 CZ TYR B 64 -2.895 -1.413 -3.360 1.00 0.00 C ATOM 967 OH TYR B 64 -3.608 -2.576 -3.193 1.00 0.00 O ATOM 0 H TYR B 64 0.705 4.310 -5.544 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.222 2.196 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.373 2.020 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.006 2.935 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.208 1.660 -4.692 1.00 0.00 H new ATOM 0 HD2 TYR B 64 0.099 -0.071 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.472 -0.427 -4.405 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.165 -2.153 -2.352 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.059 -3.230 -2.711 1.00 0.00 H new ATOM 977 N THR B 65 -2.924 3.933 -5.646 1.00 0.00 N ATOM 978 CA THR B 65 -3.953 4.964 -5.619 1.00 0.00 C ATOM 979 C THR B 65 -5.308 4.317 -5.343 1.00 0.00 C ATOM 980 O THR B 65 -5.717 3.403 -6.061 1.00 0.00 O ATOM 981 CB THR B 65 -4.008 5.729 -6.960 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.716 6.270 -7.274 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.031 6.855 -6.908 1.00 0.00 C ATOM 0 H THR B 65 -3.209 3.078 -6.124 1.00 0.00 H new ATOM 0 HA THR B 65 -3.711 5.676 -4.830 1.00 0.00 H new ATOM 0 HB THR B 65 -4.307 5.024 -7.736 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.761 6.752 -8.126 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.048 7.376 -7.865 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.018 6.441 -6.703 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.761 7.556 -6.118 1.00 0.00 H new ATOM 991 N PHE B 66 -6.000 4.775 -4.302 1.00 0.00 N ATOM 992 CA PHE B 66 -7.239 4.158 -3.885 1.00 0.00 C ATOM 993 C PHE B 66 -8.017 5.041 -2.946 1.00 0.00 C ATOM 994 O PHE B 66 -7.482 5.923 -2.269 1.00 0.00 O ATOM 995 CB PHE B 66 -6.999 2.808 -3.203 1.00 0.00 C ATOM 996 CG PHE B 66 -5.836 2.732 -2.262 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.385 3.819 -1.532 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.193 1.532 -2.128 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.304 3.692 -0.686 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.113 1.391 -1.285 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.665 2.473 -0.561 1.00 0.00 C ATOM 0 H PHE B 66 -5.715 5.574 -3.736 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.819 4.004 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.901 2.538 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.861 2.054 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.883 4.772 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.539 0.679 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.957 4.545 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.619 0.435 -1.192 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.818 2.370 0.101 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.293 4.787 -2.948 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.203 5.347 -1.979 1.00 0.00 C ATOM 1013 C ASN B 67 -10.347 4.357 -0.827 1.00 0.00 C ATOM 1014 O ASN B 67 -10.163 3.151 -1.008 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.561 5.604 -2.630 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.423 6.552 -1.825 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.131 6.145 -0.905 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.376 7.824 -2.177 1.00 0.00 N ATOM 0 H ASN B 67 -9.742 4.177 -3.631 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.818 6.296 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.409 6.016 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.086 4.657 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.941 8.512 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.775 8.118 -2.946 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.667 4.861 0.350 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.777 4.034 1.539 1.00 0.00 C ATOM 1027 C GLU B 68 -12.127 3.313 1.590 1.00 0.00 C ATOM 1028 O GLU B 68 -12.372 2.488 2.468 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.557 4.887 2.787 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.136 5.423 2.919 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.114 4.338 3.216 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -7.785 3.552 2.302 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -7.612 4.282 4.361 1.00 0.00 O1- ATOM 0 H GLU B 68 -10.857 5.850 0.510 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.004 3.267 1.502 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.252 5.726 2.770 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -10.795 4.293 3.669 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -8.859 5.932 1.996 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -9.108 6.168 3.714 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.983 3.622 0.627 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.238 2.920 0.447 1.00 0.00 C ATOM 1042 C LYS B 69 -14.037 1.867 -0.627 1.00 0.00 C ATOM 1043 O LYS B 69 -14.670 0.808 -0.616 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.340 3.894 0.029 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.703 3.242 -0.140 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.698 4.179 -0.809 1.00 0.00 C ATOM 1047 CE LYS B 69 -17.984 5.410 0.036 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.743 5.078 1.270 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.824 4.368 -0.050 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.542 2.453 1.384 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.416 4.685 0.776 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.056 4.369 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.601 2.335 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.086 2.941 0.835 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.308 4.488 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.629 3.644 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -17.043 5.889 0.308 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.550 6.131 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.019 5.956 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.596 4.539 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.146 4.507 1.902 1.00 0.00 H new ATOM 1062 N SER B 70 -13.139 2.176 -1.560 1.00 0.00 N ATOM 1063 CA SER B 70 -12.714 1.224 -2.558 1.00 0.00 C ATOM 1064 C SER B 70 -12.088 0.043 -1.874 1.00 0.00 C ATOM 1065 O SER B 70 -11.522 0.149 -0.779 1.00 0.00 O ATOM 1066 CB SER B 70 -11.711 1.839 -3.539 1.00 0.00 C ATOM 1067 OG SER B 70 -11.127 0.858 -4.374 1.00 0.00 O ATOM 0 H SER B 70 -12.694 3.090 -1.637 1.00 0.00 H new ATOM 0 HA SER B 70 -13.590 0.915 -3.129 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.214 2.587 -4.153 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.929 2.356 -2.983 1.00 0.00 H new ATOM 0 HG SER B 70 -10.494 1.286 -4.988 1.00 0.00 H new ATOM 1073 N THR B 71 -12.170 -1.072 -2.525 1.00 0.00 N ATOM 1074 CA THR B 71 -11.711 -2.292 -1.934 1.00 0.00 C ATOM 1075 C THR B 71 -10.364 -2.661 -2.536 1.00 0.00 C ATOM 1076 O THR B 71 -10.233 -2.904 -3.739 1.00 0.00 O ATOM 1077 CB THR B 71 -12.753 -3.428 -2.063 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.335 -4.429 -3.001 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.101 -2.878 -2.506 1.00 0.00 C ATOM 0 H THR B 71 -12.550 -1.166 -3.467 1.00 0.00 H new ATOM 0 HA THR B 71 -11.581 -2.142 -0.862 1.00 0.00 H new ATOM 0 HB THR B 71 -12.844 -3.883 -1.077 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.784 -4.015 -3.697 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.818 -3.695 -2.590 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.458 -2.156 -1.772 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.994 -2.389 -3.474 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.352 -2.660 -1.682 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.971 -2.725 -2.128 1.00 0.00 C ATOM 1089 C VAL B 72 -7.623 -4.080 -2.732 1.00 0.00 C ATOM 1090 O VAL B 72 -6.582 -4.224 -3.361 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.001 -2.416 -0.977 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.350 -1.083 -0.318 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.014 -3.552 0.026 1.00 0.00 C ATOM 0 H VAL B 72 -9.464 -2.615 -0.669 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.864 -1.968 -2.905 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.991 -2.325 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.651 -0.884 0.494 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.285 -0.284 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.364 -1.128 0.079 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.324 -3.327 0.840 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.021 -3.672 0.426 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.706 -4.475 -0.466 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.492 -5.065 -2.545 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.258 -6.368 -3.128 1.00 0.00 C ATOM 1105 C GLY B 73 -8.225 -6.301 -4.642 1.00 0.00 C ATOM 1106 O GLY B 73 -7.322 -6.846 -5.279 1.00 0.00 O ATOM 0 H GLY B 73 -9.351 -4.984 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.313 -6.768 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.041 -7.056 -2.810 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.195 -5.601 -5.215 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.264 -5.421 -6.662 1.00 0.00 C ATOM 1112 C ASN B 74 -8.130 -4.528 -7.136 1.00 0.00 C ATOM 1113 O ASN B 74 -7.610 -4.683 -8.239 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.602 -4.796 -7.066 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.778 -5.697 -6.819 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.695 -6.918 -6.948 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.886 -5.090 -6.446 1.00 0.00 N ATOM 0 H ASN B 74 -9.948 -5.146 -4.699 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.174 -6.402 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.743 -3.867 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.569 -4.536 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.725 -5.636 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.905 -4.074 -6.353 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.740 -3.602 -6.278 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.712 -2.630 -6.617 1.00 0.00 C ATOM 1126 C ILE B 75 -5.342 -3.285 -6.601 1.00 0.00 C ATOM 1127 O ILE B 75 -4.544 -3.099 -7.512 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.703 -1.454 -5.628 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.126 -1.119 -5.188 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.036 -0.243 -6.264 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.197 -0.023 -4.168 1.00 0.00 C ATOM 0 H ILE B 75 -8.121 -3.501 -5.337 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.938 -2.254 -7.615 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.132 -1.739 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.709 -0.828 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.591 -2.016 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.034 0.585 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.010 -0.492 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.586 0.047 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.238 0.161 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.643 -0.318 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.762 0.887 -4.581 1.00 0.00 H new ATOM 1143 N SER B 76 -5.092 -4.059 -5.551 1.00 0.00 N ATOM 1144 CA SER B 76 -3.820 -4.769 -5.377 1.00 0.00 C ATOM 1145 C SER B 76 -3.510 -5.618 -6.603 1.00 0.00 C ATOM 1146 O SER B 76 -2.350 -5.777 -6.990 1.00 0.00 O ATOM 1147 CB SER B 76 -3.870 -5.654 -4.125 1.00 0.00 C ATOM 1148 OG SER B 76 -2.606 -6.234 -3.851 1.00 0.00 O ATOM 0 H SER B 76 -5.760 -4.215 -4.796 1.00 0.00 H new ATOM 0 HA SER B 76 -3.029 -4.030 -5.255 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.192 -5.060 -3.270 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.611 -6.441 -4.263 1.00 0.00 H new ATOM 0 HG SER B 76 -2.728 -7.161 -3.556 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.562 -6.153 -7.205 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.450 -6.884 -8.463 1.00 0.00 C ATOM 1156 C ASN B 77 -3.701 -6.051 -9.490 1.00 0.00 C ATOM 1157 O ASN B 77 -2.674 -6.463 -10.032 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.841 -7.178 -9.005 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.820 -8.095 -10.215 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.933 -8.938 -10.358 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.793 -7.934 -11.099 1.00 0.00 N ATOM 0 H ASN B 77 -5.513 -6.095 -6.840 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.910 -7.812 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.443 -7.635 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.327 -6.240 -9.274 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.826 -8.519 -11.934 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.510 -7.225 -10.945 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.238 -4.869 -9.731 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.663 -3.926 -10.691 1.00 0.00 C ATOM 1170 C ASP B 78 -2.299 -3.421 -10.236 1.00 0.00 C ATOM 1171 O ASP B 78 -1.405 -3.211 -11.045 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.601 -2.737 -10.913 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.773 -3.076 -11.811 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.573 -3.196 -13.042 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.901 -3.217 -11.297 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.083 -4.530 -9.271 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.535 -4.464 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.975 -2.390 -9.950 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.039 -1.913 -11.352 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.139 -3.224 -8.941 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.882 -2.734 -8.392 1.00 0.00 C ATOM 1182 C ILE B 79 0.263 -3.703 -8.665 1.00 0.00 C ATOM 1183 O ILE B 79 1.401 -3.300 -8.898 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.026 -2.476 -6.902 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.133 -1.455 -6.733 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.281 -1.985 -6.290 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.858 -0.114 -7.386 1.00 0.00 C ATOM 0 H ILE B 79 -2.865 -3.396 -8.245 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.640 -1.795 -8.890 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.274 -3.400 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.054 -1.865 -7.148 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.305 -1.298 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.140 -1.811 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.056 -2.737 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.582 -1.055 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.702 0.554 -7.215 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.957 0.322 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.717 -0.253 -8.458 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.062 -4.985 -8.683 1.00 0.00 N ATOM 1200 CA ASN B 80 0.935 -6.029 -8.908 1.00 0.00 C ATOM 1201 C ASN B 80 1.378 -6.112 -10.370 1.00 0.00 C ATOM 1202 O ASN B 80 2.187 -6.967 -10.722 1.00 0.00 O ATOM 1203 CB ASN B 80 0.404 -7.390 -8.448 1.00 0.00 C ATOM 1204 CG ASN B 80 0.705 -7.677 -6.988 1.00 0.00 C ATOM 1205 OD1 ASN B 80 1.731 -8.276 -6.661 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -0.182 -7.257 -6.101 1.00 0.00 N ATOM 0 H ASN B 80 -1.011 -5.333 -8.544 1.00 0.00 H new ATOM 0 HA ASN B 80 1.809 -5.759 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.674 -7.426 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.843 -8.174 -9.065 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -0.028 -7.426 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -1.020 -6.764 -6.411 1.00 0.00 H new ATOM 1213 N LYS B 81 0.856 -5.238 -11.225 1.00 0.00 N ATOM 1214 CA LYS B 81 1.255 -5.230 -12.629 1.00 0.00 C ATOM 1215 C LYS B 81 2.076 -3.981 -12.955 1.00 0.00 C ATOM 1216 O LYS B 81 2.446 -3.750 -14.106 1.00 0.00 O ATOM 1217 CB LYS B 81 0.027 -5.310 -13.548 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.709 -3.997 -13.704 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.981 -4.149 -14.516 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.697 -2.817 -14.667 1.00 0.00 C ATOM 1221 NZ LYS B 81 -4.013 -2.968 -15.338 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.163 -4.533 -10.974 1.00 0.00 H new ATOM 0 HA LYS B 81 1.876 -6.109 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.344 -5.657 -14.532 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.662 -6.057 -13.153 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.954 -3.600 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.055 -3.271 -14.187 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.742 -4.550 -15.501 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.642 -4.868 -14.031 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -2.840 -2.368 -13.684 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.073 -2.133 -15.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.158 -2.178 -15.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -4.035 -3.866 -15.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -4.769 -2.965 -14.624 1.00 0.00 H new ATOM 1235 N LEU B 82 2.388 -3.192 -11.931 1.00 0.00 N ATOM 1236 CA LEU B 82 3.061 -1.909 -12.137 1.00 0.00 C ATOM 1237 C LEU B 82 4.566 -2.082 -12.182 1.00 0.00 C ATOM 1238 O LEU B 82 5.309 -1.102 -12.190 1.00 0.00 O ATOM 1239 CB LEU B 82 2.722 -0.923 -11.016 1.00 0.00 C ATOM 1240 CG LEU B 82 1.237 -0.708 -10.746 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.040 0.413 -9.739 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.483 -0.412 -12.034 1.00 0.00 C ATOM 0 H LEU B 82 2.188 -3.414 -10.956 1.00 0.00 H new ATOM 0 HA LEU B 82 2.708 -1.517 -13.091 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.192 -1.272 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.171 0.040 -11.257 1.00 0.00 H new ATOM 0 HG LEU B 82 0.831 -1.628 -10.326 1.00 0.00 H new ATOM 0 HD11 LEU B 82 -0.025 0.555 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU B 82 1.537 0.154 -8.804 1.00 0.00 H new ATOM 0 HD13 LEU B 82 1.467 1.335 -10.133 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.574 -0.263 -11.811 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.888 0.490 -12.493 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.594 -1.250 -12.722 1.00 0.00 H new ATOM 1254 N ASN B 83 5.002 -3.336 -12.227 1.00 0.00 N ATOM 1255 CA ASN B 83 6.406 -3.675 -12.078 1.00 0.00 C ATOM 1256 C ASN B 83 6.933 -3.044 -10.797 1.00 0.00 C ATOM 1257 O ASN B 83 7.867 -2.240 -10.813 1.00 0.00 O ATOM 1258 CB ASN B 83 7.216 -3.217 -13.291 1.00 0.00 C ATOM 1259 CG ASN B 83 8.649 -3.720 -13.259 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.926 -4.803 -12.742 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.567 -2.941 -13.803 1.00 0.00 N ATOM 0 H ASN B 83 4.392 -4.141 -12.367 1.00 0.00 H new ATOM 0 HA ASN B 83 6.510 -4.758 -12.016 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.731 -3.570 -14.201 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.218 -2.128 -13.332 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.545 -3.230 -13.804 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.297 -2.051 -14.222 1.00 0.00 H new ATOM 1268 N ILE B 84 6.278 -3.401 -9.696 1.00 0.00 N ATOM 1269 CA ILE B 84 6.558 -2.849 -8.375 1.00 0.00 C ATOM 1270 C ILE B 84 8.058 -2.784 -8.070 1.00 0.00 C ATOM 1271 O ILE B 84 8.834 -3.626 -8.521 1.00 0.00 O ATOM 1272 CB ILE B 84 5.851 -3.699 -7.305 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.346 -3.602 -7.503 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.228 -3.256 -5.898 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.575 -4.681 -6.783 1.00 0.00 C ATOM 0 H ILE B 84 5.527 -4.092 -9.697 1.00 0.00 H new ATOM 0 HA ILE B 84 6.181 -1.826 -8.362 1.00 0.00 H new ATOM 0 HB ILE B 84 6.173 -4.734 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.003 -2.628 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.123 -3.656 -8.569 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.710 -3.879 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.305 -3.357 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.940 -2.214 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.509 -4.551 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.890 -5.659 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.769 -4.614 -5.712 1.00 0.00 H new ATOM 1287 N LYS B 85 8.452 -1.762 -7.328 1.00 0.00 N ATOM 1288 CA LYS B 85 9.834 -1.595 -6.904 1.00 0.00 C ATOM 1289 C LYS B 85 9.906 -1.397 -5.395 1.00 0.00 C ATOM 1290 O LYS B 85 8.902 -1.529 -4.697 1.00 0.00 O ATOM 1291 CB LYS B 85 10.460 -0.387 -7.596 1.00 0.00 C ATOM 1292 CG LYS B 85 10.323 -0.410 -9.106 1.00 0.00 C ATOM 1293 CD LYS B 85 11.204 0.643 -9.769 1.00 0.00 C ATOM 1294 CE LYS B 85 12.684 0.380 -9.531 1.00 0.00 C ATOM 1295 NZ LYS B 85 13.534 1.486 -10.038 1.00 0.00 N1+ ATOM 0 H LYS B 85 7.825 -1.026 -7.003 1.00 0.00 H new ATOM 0 HA LYS B 85 10.384 -2.495 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS B 85 9.996 0.521 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.518 -0.339 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.592 -1.398 -9.481 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.282 -0.238 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.006 0.658 -10.841 1.00 0.00 H new ATOM 0 HD3 LYS B 85 10.944 1.629 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS B 85 12.861 0.246 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.970 -0.551 -10.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 14.534 1.267 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.385 1.598 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 13.280 2.370 -9.553 1.00 0.00 H new ATOM 1309 N GLY B 86 11.094 -1.065 -4.905 1.00 0.00 N ATOM 1310 CA GLY B 86 11.269 -0.761 -3.498 1.00 0.00 C ATOM 1311 C GLY B 86 12.493 0.101 -3.264 1.00 0.00 C ATOM 1312 O GLY B 86 13.617 -0.344 -3.493 1.00 0.00 O ATOM 0 H GLY B 86 11.946 -1.001 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.384 -0.247 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.363 -1.689 -2.933 1.00 0.00 H new ATOM 1316 N MET B 87 12.286 1.339 -2.822 1.00 0.00 N ATOM 1317 CA MET B 87 13.370 2.248 -2.572 1.00 0.00 C ATOM 1318 C MET B 87 12.959 3.328 -1.565 1.00 0.00 C ATOM 1319 O MET B 87 13.347 3.277 -0.402 1.00 0.00 O ATOM 1320 CB MET B 87 13.813 2.886 -3.879 1.00 0.00 C ATOM 1321 CG MET B 87 14.652 4.105 -3.644 1.00 0.00 C ATOM 1322 SD MET B 87 15.263 4.860 -5.160 1.00 0.00 S ATOM 1323 CE MET B 87 16.229 6.211 -4.491 1.00 0.00 C ATOM 0 H MET B 87 11.362 1.726 -2.632 1.00 0.00 H new ATOM 0 HA MET B 87 14.202 1.689 -2.144 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.380 2.161 -4.464 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.936 3.156 -4.468 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.065 4.840 -3.093 1.00 0.00 H new ATOM 0 HG3 MET B 87 15.500 3.837 -3.014 1.00 0.00 H new ATOM 0 HE1 MET B 87 16.676 6.778 -5.308 1.00 0.00 H new ATOM 0 HE2 MET B 87 15.583 6.865 -3.906 1.00 0.00 H new ATOM 0 HE3 MET B 87 17.017 5.813 -3.852 1.00 0.00 H new ATOM 1333 N TYR B 88 12.168 4.301 -2.019 1.00 0.00 N ATOM 1334 CA TYR B 88 11.745 5.401 -1.175 1.00 0.00 C ATOM 1335 C TYR B 88 10.231 5.444 -1.129 1.00 0.00 C ATOM 1336 O TYR B 88 9.580 5.880 -2.078 1.00 0.00 O ATOM 1337 CB TYR B 88 12.297 6.727 -1.703 1.00 0.00 C ATOM 1338 CG TYR B 88 12.032 7.903 -0.788 1.00 0.00 C ATOM 1339 CD1 TYR B 88 12.907 8.214 0.241 1.00 0.00 C ATOM 1340 CD2 TYR B 88 10.905 8.699 -0.954 1.00 0.00 C ATOM 1341 CE1 TYR B 88 12.670 9.283 1.083 1.00 0.00 C ATOM 1342 CE2 TYR B 88 10.661 9.771 -0.116 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.545 10.058 0.900 1.00 0.00 C ATOM 1344 OH TYR B 88 11.300 11.123 1.742 1.00 0.00 O ATOM 0 H TYR B 88 11.810 4.342 -2.973 1.00 0.00 H new ATOM 0 HA TYR B 88 12.134 5.248 -0.168 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.372 6.629 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.857 6.931 -2.679 1.00 0.00 H new ATOM 0 HD1 TYR B 88 13.790 7.610 0.387 1.00 0.00 H new ATOM 0 HD2 TYR B 88 10.209 8.477 -1.750 1.00 0.00 H new ATOM 0 HE1 TYR B 88 13.362 9.510 1.880 1.00 0.00 H new ATOM 0 HE2 TYR B 88 9.781 10.381 -0.258 1.00 0.00 H new ATOM 0 HH TYR B 88 10.467 11.566 1.476 1.00 0.00 H new ATOM 1354 N ILE B 89 9.682 4.949 -0.044 1.00 0.00 N ATOM 1355 CA ILE B 89 8.244 4.878 0.120 1.00 0.00 C ATOM 1356 C ILE B 89 7.715 6.069 0.909 1.00 0.00 C ATOM 1357 O ILE B 89 8.197 6.360 2.005 1.00 0.00 O ATOM 1358 CB ILE B 89 7.844 3.577 0.843 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.531 2.375 0.193 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.331 3.398 0.841 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.153 2.161 -1.247 1.00 0.00 C ATOM 0 H ILE B 89 10.214 4.586 0.747 1.00 0.00 H new ATOM 0 HA ILE B 89 7.804 4.893 -0.877 1.00 0.00 H new ATOM 0 HB ILE B 89 8.173 3.646 1.880 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.611 2.507 0.259 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.284 1.478 0.760 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.073 2.473 1.357 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.864 4.240 1.352 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.971 3.352 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.681 1.291 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.078 1.996 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.425 3.041 -1.829 1.00 0.00 H new ATOM 1373 N GLU B 90 6.739 6.769 0.345 1.00 0.00 N ATOM 1374 CA GLU B 90 6.045 7.813 1.081 1.00 0.00 C ATOM 1375 C GLU B 90 4.627 7.369 1.384 1.00 0.00 C ATOM 1376 O GLU B 90 4.155 6.354 0.868 1.00 0.00 O ATOM 1377 CB GLU B 90 5.991 9.136 0.321 1.00 0.00 C ATOM 1378 CG GLU B 90 7.305 9.549 -0.312 1.00 0.00 C ATOM 1379 CD GLU B 90 7.239 10.932 -0.925 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.446 11.923 -0.193 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 6.977 11.039 -2.138 1.00 0.00 O ATOM 0 H GLU B 90 6.413 6.633 -0.612 1.00 0.00 H new ATOM 0 HA GLU B 90 6.608 7.978 2.000 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.233 9.062 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.669 9.921 1.005 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.092 9.526 0.442 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.578 8.826 -1.081 1.00 0.00 H new ATOM 1388 N ILE B 91 3.951 8.162 2.191 1.00 0.00 N ATOM 1389 CA ILE B 91 2.610 7.846 2.666 1.00 0.00 C ATOM 1390 C ILE B 91 1.841 9.144 2.894 1.00 0.00 C ATOM 1391 O ILE B 91 2.123 9.876 3.846 1.00 0.00 O ATOM 1392 CB ILE B 91 2.644 7.074 4.007 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.516 5.818 3.908 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.236 6.703 4.451 1.00 0.00 C ATOM 1395 CD1 ILE B 91 3.715 5.107 5.229 1.00 0.00 C ATOM 0 H ILE B 91 4.314 9.049 2.540 1.00 0.00 H new ATOM 0 HA ILE B 91 2.130 7.223 1.911 1.00 0.00 H new ATOM 0 HB ILE B 91 3.085 7.734 4.754 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.061 5.126 3.199 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.490 6.094 3.504 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.283 6.161 5.396 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.645 7.610 4.582 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.770 6.072 3.694 1.00 0.00 H new ATOM 0 HD11 ILE B 91 4.342 4.228 5.078 1.00 0.00 H new ATOM 0 HD12 ILE B 91 4.198 5.781 5.936 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.748 4.798 5.625 1.00 0.00 H new ATOM 1407 N LYS B 92 0.889 9.441 2.032 1.00 0.00 N ATOM 1408 CA LYS B 92 0.145 10.686 2.135 1.00 0.00 C ATOM 1409 C LYS B 92 -1.205 10.593 1.441 1.00 0.00 C ATOM 1410 O LYS B 92 -1.546 9.571 0.851 1.00 0.00 O ATOM 1411 CB LYS B 92 0.939 11.829 1.516 1.00 0.00 C ATOM 1412 CG LYS B 92 1.304 11.591 0.064 1.00 0.00 C ATOM 1413 CD LYS B 92 1.720 12.887 -0.612 1.00 0.00 C ATOM 1414 CE LYS B 92 2.220 12.654 -2.026 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.471 13.930 -2.741 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.611 8.842 1.255 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.020 10.876 3.196 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.358 12.748 1.591 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.852 11.981 2.092 1.00 0.00 H new ATOM 0 HG2 LYS B 92 2.117 10.868 0.004 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.453 11.159 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS B 92 0.873 13.572 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS B 92 2.503 13.367 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.139 12.069 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS B 92 1.487 12.066 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.811 13.728 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.589 14.478 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 3.190 14.480 -2.228 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.948 11.691 1.494 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.268 11.768 0.906 1.00 0.00 C ATOM 1431 C GLN B 93 -3.217 12.582 -0.378 1.00 0.00 C ATOM 1432 O GLN B 93 -2.447 13.539 -0.494 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.253 12.383 1.905 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.910 13.810 2.302 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.092 14.060 3.785 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -5.171 14.434 4.235 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -3.030 13.864 4.551 1.00 0.00 N ATOM 0 H GLN B 93 -1.646 12.553 1.949 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.612 10.763 0.662 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.253 12.366 1.473 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.283 11.763 2.801 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -2.877 14.022 2.025 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.539 14.501 1.741 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.152 13.553 4.136 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -3.090 14.024 5.557 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.029 12.193 -1.336 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.010 12.800 -2.654 1.00 0.00 C ATOM 1448 C ILE B 94 -5.246 13.661 -2.880 1.00 0.00 C ATOM 1449 O ILE B 94 -6.104 13.284 -3.702 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.920 11.708 -3.736 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.824 10.536 -3.347 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.481 11.246 -3.899 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.914 9.446 -4.391 1.00 0.00 C ATOM 1454 OXT ILE B 94 -5.365 14.707 -2.215 1.00 0.00 O ATOM 0 H ILE B 94 -4.719 11.450 -1.227 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.133 13.444 -2.720 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.254 12.113 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.457 10.102 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.826 10.916 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.431 10.474 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.859 12.091 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.120 10.841 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.574 8.655 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.312 9.861 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.921 9.035 -4.574 1.00 0.00 H new