USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 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 : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -6.36! USER MOD Single : A 13 SER OG : rot 100:sc= -0.325 USER MOD Single : A 14 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-4.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.829 F(o=-2.2,f=-0.83) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -0.104 (180deg=-0.484) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -124:sc= -3.64! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 132:sc= 0.174 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 178:sc= -7.03! (180deg=-7.24!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 81 SER OG : rot -120:sc= -1.31 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -100:sc= -2.3 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -6.23! C(o=-6.2!,f=-12!) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= -1.7 (180deg=-2.76!) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.475 8.389 2.174 1.00 0.00 N ATOM 99 CA LYS A 9 6.240 7.817 1.656 1.00 0.00 C ATOM 100 C LYS A 9 6.024 6.411 2.205 1.00 0.00 C ATOM 101 O LYS A 9 6.844 5.906 2.971 1.00 0.00 O ATOM 102 CB LYS A 9 6.238 7.851 0.123 1.00 0.00 C ATOM 103 CG LYS A 9 6.985 6.708 -0.525 1.00 0.00 C ATOM 104 CD LYS A 9 8.478 6.798 -0.237 1.00 0.00 C ATOM 105 CE LYS A 9 9.068 8.095 -0.767 1.00 0.00 C ATOM 106 NZ LYS A 9 10.556 8.061 -0.795 1.00 0.00 N ATOM 0 HA LYS A 9 5.399 8.422 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.206 7.841 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.678 8.792 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.596 5.759 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.817 6.723 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.647 6.732 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.990 5.951 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.691 8.280 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.736 8.925 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.917 8.964 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.918 7.910 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.874 7.285 -1.410 1.00 0.00 H new ATOM 120 N ILE A 10 4.905 5.791 1.839 1.00 0.00 N ATOM 121 CA ILE A 10 4.593 4.458 2.336 1.00 0.00 C ATOM 122 C ILE A 10 4.700 3.432 1.242 1.00 0.00 C ATOM 123 O ILE A 10 4.251 3.640 0.117 1.00 0.00 O ATOM 124 CB ILE A 10 3.176 4.350 2.935 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.745 5.666 3.588 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.118 3.208 3.938 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.595 6.339 2.877 1.00 0.00 C ATOM 0 H ILE A 10 4.208 6.186 1.208 1.00 0.00 H new ATOM 0 HA ILE A 10 5.325 4.270 3.122 1.00 0.00 H new ATOM 0 HB ILE A 10 2.479 4.142 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.461 5.474 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.596 6.347 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.113 3.141 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.367 2.272 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.832 3.392 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.341 7.265 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.883 6.562 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.730 5.676 2.875 1.00 0.00 H new ATOM 139 N LYS A 11 5.295 2.319 1.594 1.00 0.00 N ATOM 140 CA LYS A 11 5.477 1.228 0.671 1.00 0.00 C ATOM 141 C LYS A 11 4.586 0.071 1.081 1.00 0.00 C ATOM 142 O LYS A 11 4.992 -0.783 1.862 1.00 0.00 O ATOM 143 CB LYS A 11 6.951 0.816 0.653 1.00 0.00 C ATOM 144 CG LYS A 11 7.912 1.994 0.848 1.00 0.00 C ATOM 145 CD LYS A 11 8.904 1.722 1.965 1.00 0.00 C ATOM 146 CE LYS A 11 10.163 1.051 1.436 1.00 0.00 C ATOM 147 NZ LYS A 11 11.360 1.926 1.576 1.00 0.00 N ATOM 0 H LYS A 11 5.666 2.145 2.528 1.00 0.00 H new ATOM 0 HA LYS A 11 5.198 1.536 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.125 0.080 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.173 0.328 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.451 2.183 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.343 2.895 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.168 2.659 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.440 1.086 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.331 0.118 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.023 0.793 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.196 1.432 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.211 2.806 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.509 2.152 2.580 1.00 0.00 H new ATOM 161 N CYS A 12 3.357 0.062 0.569 1.00 0.00 N ATOM 162 CA CYS A 12 2.403 -0.985 0.907 1.00 0.00 C ATOM 163 C CYS A 12 1.941 -1.735 -0.341 1.00 0.00 C ATOM 164 O CYS A 12 2.378 -1.437 -1.449 1.00 0.00 O ATOM 165 CB CYS A 12 1.199 -0.412 1.666 1.00 0.00 C ATOM 166 SG CYS A 12 1.626 0.607 3.094 1.00 0.00 S ATOM 0 H CYS A 12 3.002 0.766 -0.078 1.00 0.00 H new ATOM 0 HA CYS A 12 2.912 -1.694 1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.602 0.184 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.571 -1.237 2.000 1.00 0.00 H new ATOM 0 HG CYS A 12 0.538 1.040 3.659 1.00 0.00 H new ATOM 172 N SER A 13 1.067 -2.716 -0.141 1.00 0.00 N ATOM 173 CA SER A 13 0.536 -3.523 -1.236 1.00 0.00 C ATOM 174 C SER A 13 -0.981 -3.372 -1.306 1.00 0.00 C ATOM 175 O SER A 13 -1.606 -2.905 -0.354 1.00 0.00 O ATOM 176 CB SER A 13 0.920 -4.996 -1.047 1.00 0.00 C ATOM 177 OG SER A 13 -0.213 -5.847 -1.128 1.00 0.00 O ATOM 0 H SER A 13 0.708 -2.974 0.778 1.00 0.00 H new ATOM 0 HA SER A 13 0.967 -3.173 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.646 -5.283 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.404 -5.125 -0.079 1.00 0.00 H new ATOM 0 HG SER A 13 -0.255 -6.252 -2.019 1.00 0.00 H new ATOM 183 N HIS A 14 -1.576 -3.758 -2.432 1.00 0.00 N ATOM 184 CA HIS A 14 -3.022 -3.644 -2.592 1.00 0.00 C ATOM 185 C HIS A 14 -3.639 -4.907 -3.187 1.00 0.00 C ATOM 186 O HIS A 14 -3.019 -5.602 -3.992 1.00 0.00 O ATOM 187 CB HIS A 14 -3.369 -2.420 -3.451 1.00 0.00 C ATOM 188 CG HIS A 14 -3.204 -2.633 -4.927 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.381 -3.597 -5.466 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.770 -1.993 -5.979 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.445 -3.542 -6.784 1.00 0.00 C ATOM 192 NE2 HIS A 14 -3.282 -2.578 -7.120 1.00 0.00 N ATOM 0 H HIS A 14 -1.086 -4.148 -3.237 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.449 -3.516 -1.597 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.401 -2.131 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.739 -1.585 -3.144 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.811 -4.252 -4.930 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.474 -1.175 -5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.905 -4.177 -7.470 1.00 0.00 H new ATOM 201 N ILE A 15 -4.873 -5.184 -2.776 1.00 0.00 N ATOM 202 CA ILE A 15 -5.608 -6.351 -3.253 1.00 0.00 C ATOM 203 C ILE A 15 -7.096 -6.021 -3.362 1.00 0.00 C ATOM 204 O ILE A 15 -7.752 -5.733 -2.360 1.00 0.00 O ATOM 205 CB ILE A 15 -5.394 -7.565 -2.315 1.00 0.00 C ATOM 206 CG1 ILE A 15 -3.959 -8.083 -2.451 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.385 -8.688 -2.610 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.002 -7.488 -1.441 1.00 0.00 C ATOM 0 H ILE A 15 -5.388 -4.611 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.228 -6.617 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.566 -7.231 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.961 -9.168 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.596 -7.864 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.203 -9.522 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.402 -8.322 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.259 -9.024 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.005 -7.901 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.970 -6.405 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.340 -7.729 -0.433 1.00 0.00 H new ATOM 220 N LEU A 16 -7.618 -6.043 -4.586 1.00 0.00 N ATOM 221 CA LEU A 16 -9.022 -5.727 -4.827 1.00 0.00 C ATOM 222 C LEU A 16 -9.876 -6.982 -4.983 1.00 0.00 C ATOM 223 O LEU A 16 -9.565 -7.861 -5.783 1.00 0.00 O ATOM 224 CB LEU A 16 -9.160 -4.867 -6.086 1.00 0.00 C ATOM 225 CG LEU A 16 -9.554 -3.413 -5.840 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.168 -2.551 -7.029 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.045 -3.307 -5.563 1.00 0.00 C ATOM 0 H LEU A 16 -7.089 -6.277 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.381 -5.179 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.212 -4.884 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.905 -5.323 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.016 -3.051 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.456 -1.517 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.090 -2.605 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.680 -2.911 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.310 -2.264 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.602 -3.685 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.294 -3.896 -4.680 1.00 0.00 H new ATOM 239 N VAL A 17 -10.970 -7.035 -4.232 1.00 0.00 N ATOM 240 CA VAL A 17 -11.901 -8.154 -4.301 1.00 0.00 C ATOM 241 C VAL A 17 -13.327 -7.643 -4.139 1.00 0.00 C ATOM 242 O VAL A 17 -13.598 -6.837 -3.257 1.00 0.00 O ATOM 243 CB VAL A 17 -11.603 -9.208 -3.215 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.167 -9.702 -3.322 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.878 -8.647 -1.825 1.00 0.00 C ATOM 0 H VAL A 17 -11.235 -6.311 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.783 -8.630 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.268 -10.057 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.979 -10.445 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.009 -10.153 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.483 -8.863 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.661 -9.408 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.245 -7.777 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.925 -8.354 -1.751 1.00 0.00 H new ATOM 255 N LYS A 18 -14.238 -8.098 -4.989 1.00 0.00 N ATOM 256 CA LYS A 18 -15.623 -7.645 -4.907 1.00 0.00 C ATOM 257 C LYS A 18 -16.309 -8.221 -3.678 1.00 0.00 C ATOM 258 O LYS A 18 -17.117 -7.550 -3.036 1.00 0.00 O ATOM 259 CB LYS A 18 -16.394 -8.025 -6.173 1.00 0.00 C ATOM 260 CG LYS A 18 -16.198 -7.049 -7.322 1.00 0.00 C ATOM 261 CD LYS A 18 -16.347 -7.740 -8.668 1.00 0.00 C ATOM 262 CE LYS A 18 -15.432 -7.126 -9.716 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.178 -6.255 -10.665 1.00 0.00 N ATOM 0 H LYS A 18 -14.049 -8.770 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.616 -6.559 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.081 -9.019 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.456 -8.086 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.926 -6.241 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.209 -6.595 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.118 -8.800 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.382 -7.669 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.655 -6.542 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.931 -7.920 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.518 -5.856 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.903 -6.817 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.636 -5.482 -10.141 1.00 0.00 H new ATOM 277 N LYS A 19 -15.968 -9.456 -3.336 1.00 0.00 N ATOM 278 CA LYS A 19 -16.535 -10.096 -2.168 1.00 0.00 C ATOM 279 C LYS A 19 -15.956 -9.444 -0.917 1.00 0.00 C ATOM 280 O LYS A 19 -15.035 -9.963 -0.288 1.00 0.00 O ATOM 281 CB LYS A 19 -16.259 -11.601 -2.203 1.00 0.00 C ATOM 282 CG LYS A 19 -14.928 -11.984 -2.838 1.00 0.00 C ATOM 283 CD LYS A 19 -14.364 -13.264 -2.235 1.00 0.00 C ATOM 284 CE LYS A 19 -14.101 -14.316 -3.302 1.00 0.00 C ATOM 285 NZ LYS A 19 -14.185 -15.698 -2.753 1.00 0.00 N ATOM 0 H LYS A 19 -15.302 -10.030 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.617 -9.967 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.285 -11.986 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.063 -12.093 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.062 -12.116 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.213 -11.172 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.437 -13.041 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.063 -13.659 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.824 -14.202 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.113 -14.156 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.000 -16.385 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.478 -15.816 -1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.136 -15.860 -2.364 1.00 0.00 H new ATOM 299 N GLN A 20 -16.494 -8.269 -0.600 1.00 0.00 N ATOM 300 CA GLN A 20 -16.043 -7.466 0.533 1.00 0.00 C ATOM 301 C GLN A 20 -15.878 -8.279 1.807 1.00 0.00 C ATOM 302 O GLN A 20 -15.090 -7.909 2.677 1.00 0.00 O ATOM 303 CB GLN A 20 -17.012 -6.309 0.779 1.00 0.00 C ATOM 304 CG GLN A 20 -16.631 -5.428 1.960 1.00 0.00 C ATOM 305 CD GLN A 20 -17.565 -5.598 3.141 1.00 0.00 C ATOM 306 OE1 GLN A 20 -18.673 -5.059 3.153 1.00 0.00 O ATOM 307 NE2 GLN A 20 -17.123 -6.347 4.144 1.00 0.00 N ATOM 0 H GLN A 20 -17.259 -7.845 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.059 -7.079 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.064 -5.694 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.010 -6.713 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.613 -5.663 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.635 -4.384 1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.198 -6.775 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.708 -6.495 4.966 1.00 0.00 H new ATOM 316 N GLY A 21 -16.603 -9.380 1.929 1.00 0.00 N ATOM 317 CA GLY A 21 -16.469 -10.180 3.125 1.00 0.00 C ATOM 318 C GLY A 21 -15.097 -10.804 3.199 1.00 0.00 C ATOM 319 O GLY A 21 -14.539 -10.980 4.281 1.00 0.00 O ATOM 0 H GLY A 21 -17.267 -9.728 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.639 -9.559 4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.230 -10.961 3.133 1.00 0.00 H new ATOM 323 N GLU A 22 -14.536 -11.094 2.035 1.00 0.00 N ATOM 324 CA GLU A 22 -13.206 -11.660 1.959 1.00 0.00 C ATOM 325 C GLU A 22 -12.176 -10.603 2.330 1.00 0.00 C ATOM 326 O GLU A 22 -11.200 -10.881 3.022 1.00 0.00 O ATOM 327 CB GLU A 22 -12.945 -12.198 0.552 1.00 0.00 C ATOM 328 CG GLU A 22 -12.580 -11.146 -0.475 1.00 0.00 C ATOM 329 CD GLU A 22 -11.314 -11.498 -1.230 1.00 0.00 C ATOM 330 OE1 GLU A 22 -11.408 -12.236 -2.234 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.227 -11.037 -0.818 1.00 0.00 O ATOM 0 H GLU A 22 -14.985 -10.945 1.131 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.126 -12.488 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.140 -12.931 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.835 -12.726 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.402 -11.030 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.449 -10.185 0.022 1.00 0.00 H new ATOM 338 N ALA A 23 -12.420 -9.382 1.867 1.00 0.00 N ATOM 339 CA ALA A 23 -11.534 -8.261 2.145 1.00 0.00 C ATOM 340 C ALA A 23 -11.302 -8.146 3.650 1.00 0.00 C ATOM 341 O ALA A 23 -10.202 -7.827 4.101 1.00 0.00 O ATOM 342 CB ALA A 23 -12.122 -6.968 1.579 1.00 0.00 C ATOM 0 H ALA A 23 -13.230 -9.144 1.294 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.573 -8.433 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.449 -6.138 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.245 -7.066 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.092 -6.778 2.039 1.00 0.00 H new ATOM 348 N LEU A 24 -12.351 -8.433 4.417 1.00 0.00 N ATOM 349 CA LEU A 24 -12.283 -8.392 5.875 1.00 0.00 C ATOM 350 C LEU A 24 -11.498 -9.582 6.419 1.00 0.00 C ATOM 351 O LEU A 24 -10.897 -9.505 7.487 1.00 0.00 O ATOM 352 CB LEU A 24 -13.693 -8.383 6.471 1.00 0.00 C ATOM 353 CG LEU A 24 -13.818 -7.753 7.861 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.009 -8.542 8.879 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.372 -6.300 7.836 1.00 0.00 C ATOM 0 H LEU A 24 -13.265 -8.698 4.049 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.766 -7.477 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.354 -7.848 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.053 -9.411 6.523 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.867 -7.783 8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.110 -8.080 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.377 -9.567 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.959 -8.546 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.469 -5.872 8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.331 -6.244 7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.995 -5.740 7.139 1.00 0.00 H new ATOM 367 N ALA A 25 -11.538 -10.690 5.688 1.00 0.00 N ATOM 368 CA ALA A 25 -10.856 -11.910 6.104 1.00 0.00 C ATOM 369 C ALA A 25 -9.402 -11.938 5.635 1.00 0.00 C ATOM 370 O ALA A 25 -8.509 -12.346 6.378 1.00 0.00 O ATOM 371 CB ALA A 25 -11.604 -13.121 5.573 1.00 0.00 C ATOM 0 H ALA A 25 -12.037 -10.769 4.802 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.846 -11.934 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.092 -14.031 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.620 -13.123 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.638 -13.079 4.484 1.00 0.00 H new ATOM 377 N VAL A 26 -9.173 -11.515 4.396 1.00 0.00 N ATOM 378 CA VAL A 26 -7.832 -11.503 3.825 1.00 0.00 C ATOM 379 C VAL A 26 -6.863 -10.720 4.703 1.00 0.00 C ATOM 380 O VAL A 26 -5.686 -11.057 4.793 1.00 0.00 O ATOM 381 CB VAL A 26 -7.822 -10.913 2.397 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.957 -11.499 1.567 1.00 0.00 C ATOM 383 CG2 VAL A 26 -7.906 -9.392 2.432 1.00 0.00 C ATOM 0 H VAL A 26 -9.901 -11.175 3.767 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.507 -12.542 3.774 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.877 -11.184 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.933 -11.071 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.840 -12.581 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.911 -11.265 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.897 -9.004 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.829 -9.090 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.052 -8.993 2.980 1.00 0.00 H new ATOM 393 N GLN A 27 -7.365 -9.674 5.348 1.00 0.00 N ATOM 394 CA GLN A 27 -6.533 -8.852 6.217 1.00 0.00 C ATOM 395 C GLN A 27 -5.775 -9.723 7.221 1.00 0.00 C ATOM 396 O GLN A 27 -4.549 -9.677 7.292 1.00 0.00 O ATOM 397 CB GLN A 27 -7.389 -7.802 6.938 1.00 0.00 C ATOM 398 CG GLN A 27 -8.414 -8.393 7.884 1.00 0.00 C ATOM 399 CD GLN A 27 -9.353 -7.348 8.459 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.874 -6.478 7.602 1.00 0.00 O flip ATOM 401 NE2 GLN A 27 -9.606 -7.323 9.664 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.339 -9.376 5.286 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.798 -8.331 5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.734 -7.135 7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.903 -7.193 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.997 -9.148 7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.899 -8.901 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.184 -8.011 10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.238 -6.615 10.038 1.00 0.00 H new ATOM 410 N GLU A 28 -6.513 -10.531 7.978 1.00 0.00 N ATOM 411 CA GLU A 28 -5.912 -11.429 8.956 1.00 0.00 C ATOM 412 C GLU A 28 -5.223 -12.599 8.255 1.00 0.00 C ATOM 413 O GLU A 28 -4.234 -13.143 8.747 1.00 0.00 O ATOM 414 CB GLU A 28 -6.988 -11.931 9.934 1.00 0.00 C ATOM 415 CG GLU A 28 -6.859 -13.399 10.314 1.00 0.00 C ATOM 416 CD GLU A 28 -7.866 -13.819 11.368 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.055 -13.981 11.021 1.00 0.00 O ATOM 418 OE2 GLU A 28 -7.464 -13.986 12.539 1.00 0.00 O ATOM 0 H GLU A 28 -7.531 -10.581 7.931 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.156 -10.884 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.946 -11.329 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.970 -11.769 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.992 -14.014 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.851 -13.588 10.684 1.00 0.00 H new ATOM 425 N ARG A 29 -5.772 -12.984 7.108 1.00 0.00 N ATOM 426 CA ARG A 29 -5.244 -14.098 6.324 1.00 0.00 C ATOM 427 C ARG A 29 -3.880 -13.769 5.722 1.00 0.00 C ATOM 428 O ARG A 29 -3.004 -14.630 5.647 1.00 0.00 O ATOM 429 CB ARG A 29 -6.228 -14.448 5.207 1.00 0.00 C ATOM 430 CG ARG A 29 -6.027 -15.831 4.615 1.00 0.00 C ATOM 431 CD ARG A 29 -6.209 -16.920 5.660 1.00 0.00 C ATOM 432 NE ARG A 29 -6.257 -18.251 5.060 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.320 -18.740 4.426 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.425 -18.014 4.306 1.00 0.00 N ATOM 435 NH2 ARG A 29 -7.279 -19.960 3.907 1.00 0.00 N ATOM 0 H ARG A 29 -6.591 -12.537 6.696 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.117 -14.950 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.244 -14.375 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.137 -13.708 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.735 -15.985 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.028 -15.902 4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.389 -16.875 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.129 -16.739 6.216 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.427 -18.840 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.463 -17.074 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.236 -18.396 3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.433 -20.523 3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.094 -20.335 3.421 1.00 0.00 H new ATOM 449 N LEU A 30 -3.713 -12.527 5.286 1.00 0.00 N ATOM 450 CA LEU A 30 -2.464 -12.087 4.676 1.00 0.00 C ATOM 451 C LEU A 30 -1.268 -12.397 5.573 1.00 0.00 C ATOM 452 O LEU A 30 -0.353 -13.118 5.173 1.00 0.00 O ATOM 453 CB LEU A 30 -2.529 -10.585 4.377 1.00 0.00 C ATOM 454 CG LEU A 30 -1.529 -10.082 3.333 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.102 -10.337 3.793 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.787 -10.743 1.985 1.00 0.00 C ATOM 0 H LEU A 30 -4.430 -11.804 5.344 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.331 -12.634 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.536 -10.342 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.365 -10.039 5.306 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.663 -9.006 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.594 -9.973 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.076 -9.815 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.048 -11.407 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.067 -10.374 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.682 -11.823 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.797 -10.506 1.651 1.00 0.00 H new ATOM 468 N LYS A 31 -1.280 -11.856 6.786 1.00 0.00 N ATOM 469 CA LYS A 31 -0.195 -12.083 7.735 1.00 0.00 C ATOM 470 C LYS A 31 -0.223 -13.509 8.283 1.00 0.00 C ATOM 471 O LYS A 31 0.709 -13.938 8.963 1.00 0.00 O ATOM 472 CB LYS A 31 -0.280 -11.085 8.888 1.00 0.00 C ATOM 473 CG LYS A 31 -1.522 -11.253 9.748 1.00 0.00 C ATOM 474 CD LYS A 31 -2.518 -10.126 9.519 1.00 0.00 C ATOM 475 CE LYS A 31 -3.009 -9.539 10.832 1.00 0.00 C ATOM 476 NZ LYS A 31 -1.897 -8.951 11.630 1.00 0.00 N ATOM 0 H LYS A 31 -2.028 -11.257 7.136 1.00 0.00 H new ATOM 0 HA LYS A 31 0.745 -11.940 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.604 -11.192 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.262 -10.073 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.995 -12.209 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.236 -11.279 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.051 -9.343 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.367 -10.500 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.755 -8.771 10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.502 -10.317 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.267 -8.185 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.474 -9.687 12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.173 -8.570 10.988 1.00 0.00 H new ATOM 490 N ALA A 32 -1.295 -14.240 7.990 1.00 0.00 N ATOM 491 CA ALA A 32 -1.436 -15.610 8.461 1.00 0.00 C ATOM 492 C ALA A 32 -0.283 -16.484 7.979 1.00 0.00 C ATOM 493 O ALA A 32 0.003 -17.529 8.561 1.00 0.00 O ATOM 494 CB ALA A 32 -2.766 -16.191 8.002 1.00 0.00 C ATOM 0 H ALA A 32 -2.078 -13.904 7.428 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.412 -15.594 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.859 -17.216 8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.583 -15.591 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.810 -16.183 6.913 1.00 0.00 H new ATOM 500 N GLY A 33 0.369 -16.049 6.906 1.00 0.00 N ATOM 501 CA GLY A 33 1.474 -16.799 6.356 1.00 0.00 C ATOM 502 C GLY A 33 1.599 -16.622 4.856 1.00 0.00 C ATOM 503 O GLY A 33 2.651 -16.897 4.277 1.00 0.00 O ATOM 0 H GLY A 33 0.148 -15.186 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.400 -16.482 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.342 -17.856 6.585 1.00 0.00 H new ATOM 507 N GLU A 34 0.523 -16.161 4.224 1.00 0.00 N ATOM 508 CA GLU A 34 0.518 -15.948 2.781 1.00 0.00 C ATOM 509 C GLU A 34 1.190 -14.627 2.426 1.00 0.00 C ATOM 510 O GLU A 34 1.283 -13.722 3.255 1.00 0.00 O ATOM 511 CB GLU A 34 -0.912 -15.962 2.242 1.00 0.00 C ATOM 512 CG GLU A 34 -1.802 -14.896 2.856 1.00 0.00 C ATOM 513 CD GLU A 34 -3.267 -15.088 2.515 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.643 -16.216 2.132 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.036 -14.112 2.628 1.00 0.00 O ATOM 0 H GLU A 34 -0.355 -15.928 4.688 1.00 0.00 H new ATOM 0 HA GLU A 34 1.079 -16.761 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.886 -15.823 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.352 -16.942 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.681 -14.907 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.478 -13.915 2.509 1.00 0.00 H new ATOM 522 N LYS A 35 1.658 -14.528 1.189 1.00 0.00 N ATOM 523 CA LYS A 35 2.325 -13.319 0.720 1.00 0.00 C ATOM 524 C LYS A 35 1.359 -12.424 -0.047 1.00 0.00 C ATOM 525 O LYS A 35 0.550 -12.901 -0.843 1.00 0.00 O ATOM 526 CB LYS A 35 3.519 -13.678 -0.165 1.00 0.00 C ATOM 527 CG LYS A 35 4.638 -12.650 -0.121 1.00 0.00 C ATOM 528 CD LYS A 35 6.002 -13.299 -0.303 1.00 0.00 C ATOM 529 CE LYS A 35 6.986 -12.841 0.762 1.00 0.00 C ATOM 530 NZ LYS A 35 7.732 -11.623 0.342 1.00 0.00 N ATOM 0 H LYS A 35 1.589 -15.269 0.492 1.00 0.00 H new ATOM 0 HA LYS A 35 2.681 -12.772 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.913 -14.646 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.178 -13.788 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.481 -11.907 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.610 -12.121 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.898 -14.383 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.393 -13.054 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.449 -12.636 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.692 -13.644 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.392 -11.343 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.265 -11.825 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.061 -10.849 0.165 1.00 0.00 H new ATOM 544 N PHE A 36 1.455 -11.119 0.198 1.00 0.00 N ATOM 545 CA PHE A 36 0.592 -10.145 -0.468 1.00 0.00 C ATOM 546 C PHE A 36 0.573 -10.374 -1.977 1.00 0.00 C ATOM 547 O PHE A 36 -0.451 -10.182 -2.632 1.00 0.00 O ATOM 548 CB PHE A 36 1.060 -8.718 -0.164 1.00 0.00 C ATOM 549 CG PHE A 36 2.554 -8.573 -0.067 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.348 -8.646 -1.200 1.00 0.00 C ATOM 551 CD2 PHE A 36 3.162 -8.367 1.161 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.721 -8.516 -1.110 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.535 -8.237 1.257 1.00 0.00 C ATOM 554 CZ PHE A 36 5.315 -8.311 0.119 1.00 0.00 C ATOM 0 H PHE A 36 2.122 -10.711 0.853 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.420 -10.277 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.690 -8.051 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.612 -8.391 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.889 -8.806 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.556 -8.307 2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.329 -8.575 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.997 -8.078 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.388 -8.209 0.191 1.00 0.00 H new ATOM 564 N GLY A 37 1.714 -10.784 -2.520 1.00 0.00 N ATOM 565 CA GLY A 37 1.810 -11.034 -3.944 1.00 0.00 C ATOM 566 C GLY A 37 0.929 -12.183 -4.393 1.00 0.00 C ATOM 567 O GLY A 37 0.396 -12.169 -5.503 1.00 0.00 O ATOM 0 H GLY A 37 2.575 -10.948 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.530 -10.132 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.846 -11.253 -4.202 1.00 0.00 H new ATOM 571 N LYS A 38 0.780 -13.182 -3.530 1.00 0.00 N ATOM 572 CA LYS A 38 -0.036 -14.349 -3.842 1.00 0.00 C ATOM 573 C LYS A 38 -1.499 -13.963 -4.036 1.00 0.00 C ATOM 574 O LYS A 38 -2.101 -14.282 -5.061 1.00 0.00 O ATOM 575 CB LYS A 38 0.083 -15.388 -2.727 1.00 0.00 C ATOM 576 CG LYS A 38 -0.489 -16.747 -3.101 1.00 0.00 C ATOM 577 CD LYS A 38 0.610 -17.740 -3.442 1.00 0.00 C ATOM 578 CE LYS A 38 1.131 -18.444 -2.200 1.00 0.00 C ATOM 579 NZ LYS A 38 2.511 -18.968 -2.398 1.00 0.00 N ATOM 0 H LYS A 38 1.215 -13.207 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 38 0.331 -14.776 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.134 -15.505 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.431 -15.018 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.085 -17.132 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.160 -16.638 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.228 -18.479 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.430 -17.220 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.123 -17.751 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.464 -19.266 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.831 -19.441 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.514 -19.649 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.153 -18.180 -2.620 1.00 0.00 H new ATOM 593 N LEU A 39 -2.064 -13.279 -3.044 1.00 0.00 N ATOM 594 CA LEU A 39 -3.461 -12.853 -3.100 1.00 0.00 C ATOM 595 C LEU A 39 -3.746 -12.079 -4.381 1.00 0.00 C ATOM 596 O LEU A 39 -4.836 -12.168 -4.941 1.00 0.00 O ATOM 597 CB LEU A 39 -3.813 -11.977 -1.893 1.00 0.00 C ATOM 598 CG LEU A 39 -3.765 -12.666 -0.520 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.531 -13.978 -0.547 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.330 -12.894 -0.072 1.00 0.00 C ATOM 0 H LEU A 39 -1.576 -13.007 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.076 -13.753 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.130 -11.128 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.816 -11.576 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.243 -12.004 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.483 -14.448 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.572 -13.786 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.088 -14.643 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.326 -13.383 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.819 -13.527 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.815 -11.936 0.001 1.00 0.00 H new ATOM 612 N ALA A 40 -2.757 -11.321 -4.844 1.00 0.00 N ATOM 613 CA ALA A 40 -2.913 -10.526 -6.058 1.00 0.00 C ATOM 614 C ALA A 40 -3.431 -11.391 -7.200 1.00 0.00 C ATOM 615 O ALA A 40 -4.445 -11.078 -7.823 1.00 0.00 O ATOM 616 CB ALA A 40 -1.588 -9.882 -6.438 1.00 0.00 C ATOM 0 H ALA A 40 -1.843 -11.240 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.642 -9.738 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.717 -9.292 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.253 -9.234 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.843 -10.658 -6.613 1.00 0.00 H new ATOM 622 N LYS A 41 -2.735 -12.486 -7.454 1.00 0.00 N ATOM 623 CA LYS A 41 -3.121 -13.415 -8.503 1.00 0.00 C ATOM 624 C LYS A 41 -4.142 -14.432 -7.992 1.00 0.00 C ATOM 625 O LYS A 41 -4.876 -15.035 -8.777 1.00 0.00 O ATOM 626 CB LYS A 41 -1.888 -14.142 -9.046 1.00 0.00 C ATOM 627 CG LYS A 41 -1.221 -15.053 -8.029 1.00 0.00 C ATOM 628 CD LYS A 41 0.182 -15.444 -8.466 1.00 0.00 C ATOM 629 CE LYS A 41 0.154 -16.559 -9.498 1.00 0.00 C ATOM 630 NZ LYS A 41 1.310 -17.486 -9.349 1.00 0.00 N ATOM 0 H LYS A 41 -1.894 -12.755 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.583 -12.841 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.178 -14.733 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.164 -13.404 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.175 -14.550 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.824 -15.951 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.690 -14.574 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.758 -15.765 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.775 -17.120 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.162 -16.127 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.253 -18.231 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.197 -16.956 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.289 -17.918 -8.403 1.00 0.00 H new ATOM 644 N GLU A 42 -4.153 -14.651 -6.677 1.00 0.00 N ATOM 645 CA GLU A 42 -5.050 -15.635 -6.074 1.00 0.00 C ATOM 646 C GLU A 42 -6.522 -15.204 -6.107 1.00 0.00 C ATOM 647 O GLU A 42 -7.324 -15.807 -6.819 1.00 0.00 O ATOM 648 CB GLU A 42 -4.608 -15.913 -4.635 1.00 0.00 C ATOM 649 CG GLU A 42 -4.081 -17.322 -4.422 1.00 0.00 C ATOM 650 CD GLU A 42 -5.171 -18.373 -4.507 1.00 0.00 C ATOM 651 OE1 GLU A 42 -5.752 -18.540 -5.600 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.445 -19.028 -3.479 1.00 0.00 O ATOM 0 H GLU A 42 -3.553 -14.162 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.983 -16.545 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.833 -15.198 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.452 -15.745 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.316 -17.536 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.599 -17.382 -3.446 1.00 0.00 H new ATOM 659 N LEU A 43 -6.885 -14.176 -5.340 1.00 0.00 N ATOM 660 CA LEU A 43 -8.278 -13.716 -5.317 1.00 0.00 C ATOM 661 C LEU A 43 -8.425 -12.267 -5.772 1.00 0.00 C ATOM 662 O LEU A 43 -9.539 -11.812 -6.039 1.00 0.00 O ATOM 663 CB LEU A 43 -8.905 -13.887 -3.926 1.00 0.00 C ATOM 664 CG LEU A 43 -8.002 -13.567 -2.733 1.00 0.00 C ATOM 665 CD1 LEU A 43 -6.968 -14.663 -2.540 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.333 -12.211 -2.907 1.00 0.00 C ATOM 0 H LEU A 43 -6.250 -13.653 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.812 -14.346 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.788 -13.250 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.248 -14.917 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.621 -13.521 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.334 -14.419 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.473 -15.612 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.354 -14.746 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.696 -12.006 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.727 -12.218 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.096 -11.436 -2.987 1.00 0.00 H new ATOM 678 N SER A 44 -7.321 -11.534 -5.847 1.00 0.00 N ATOM 679 CA SER A 44 -7.380 -10.135 -6.256 1.00 0.00 C ATOM 680 C SER A 44 -7.866 -9.992 -7.694 1.00 0.00 C ATOM 681 O SER A 44 -7.460 -10.742 -8.581 1.00 0.00 O ATOM 682 CB SER A 44 -6.013 -9.470 -6.107 1.00 0.00 C ATOM 683 OG SER A 44 -6.121 -8.209 -5.473 1.00 0.00 O ATOM 0 H SER A 44 -6.385 -11.878 -5.633 1.00 0.00 H new ATOM 0 HA SER A 44 -8.095 -9.637 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.353 -10.116 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.557 -9.348 -7.089 1.00 0.00 H new ATOM 0 HG SER A 44 -5.722 -7.520 -6.044 1.00 0.00 H new ATOM 689 N ILE A 45 -8.734 -9.010 -7.907 1.00 0.00 N ATOM 690 CA ILE A 45 -9.286 -8.737 -9.227 1.00 0.00 C ATOM 691 C ILE A 45 -8.611 -7.524 -9.863 1.00 0.00 C ATOM 692 O ILE A 45 -8.826 -7.224 -11.036 1.00 0.00 O ATOM 693 CB ILE A 45 -10.805 -8.483 -9.163 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.140 -7.568 -7.983 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.559 -9.798 -9.051 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.248 -6.580 -8.272 1.00 0.00 C ATOM 0 H ILE A 45 -9.072 -8.385 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.098 -9.621 -9.836 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.115 -7.988 -10.083 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.427 -8.182 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.243 -7.020 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.630 -9.601 -9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.340 -10.418 -9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.249 -10.319 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.428 -5.967 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.957 -5.940 -9.105 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.159 -7.120 -8.531 1.00 0.00 H new ATOM 745 N ALA A 50 -2.136 -6.020 -10.435 1.00 0.00 N ATOM 746 CA ALA A 50 -2.195 -7.243 -9.638 1.00 0.00 C ATOM 747 C ALA A 50 -1.186 -8.261 -10.144 1.00 0.00 C ATOM 748 O ALA A 50 -0.743 -9.142 -9.407 1.00 0.00 O ATOM 749 CB ALA A 50 -3.598 -7.831 -9.658 1.00 0.00 C ATOM 0 HA ALA A 50 -1.943 -6.990 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.620 -8.741 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.302 -7.108 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.879 -8.066 -10.684 1.00 0.00 H new ATOM 755 N LYS A 51 -0.830 -8.126 -11.416 1.00 0.00 N ATOM 756 CA LYS A 51 0.121 -9.018 -12.052 1.00 0.00 C ATOM 757 C LYS A 51 1.526 -8.777 -11.515 1.00 0.00 C ATOM 758 O LYS A 51 2.443 -9.563 -11.754 1.00 0.00 O ATOM 759 CB LYS A 51 0.091 -8.793 -13.556 1.00 0.00 C ATOM 760 CG LYS A 51 -0.969 -9.613 -14.271 1.00 0.00 C ATOM 761 CD LYS A 51 -0.613 -11.091 -14.292 1.00 0.00 C ATOM 762 CE LYS A 51 -1.790 -11.952 -13.863 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.486 -12.561 -15.028 1.00 0.00 N ATOM 0 H LYS A 51 -1.193 -7.397 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.156 -10.049 -11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.085 -7.736 -13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.069 -9.037 -13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.931 -9.477 -13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.082 -9.251 -15.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.298 -11.377 -15.296 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.233 -11.272 -13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.439 -12.740 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.496 -11.345 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.282 -13.140 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.843 -11.809 -15.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.820 -13.160 -15.556 1.00 0.00 H new ATOM 777 N ARG A 52 1.680 -7.680 -10.790 1.00 0.00 N ATOM 778 CA ARG A 52 2.954 -7.306 -10.209 1.00 0.00 C ATOM 779 C ARG A 52 2.972 -7.611 -8.714 1.00 0.00 C ATOM 780 O ARG A 52 3.727 -7.005 -7.957 1.00 0.00 O ATOM 781 CB ARG A 52 3.200 -5.819 -10.443 1.00 0.00 C ATOM 782 CG ARG A 52 4.106 -5.531 -11.629 1.00 0.00 C ATOM 783 CD ARG A 52 5.360 -4.783 -11.207 1.00 0.00 C ATOM 784 NE ARG A 52 6.320 -4.664 -12.302 1.00 0.00 N ATOM 785 CZ ARG A 52 6.155 -3.859 -13.349 1.00 0.00 C ATOM 786 NH1 ARG A 52 5.070 -3.099 -13.447 1.00 0.00 N ATOM 787 NH2 ARG A 52 7.077 -3.812 -14.301 1.00 0.00 N ATOM 0 H ARG A 52 0.924 -7.026 -10.589 1.00 0.00 H new ATOM 0 HA ARG A 52 3.745 -7.885 -10.686 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.243 -5.321 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.642 -5.387 -9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.385 -6.468 -12.110 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.562 -4.943 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.087 -3.788 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.827 -5.302 -10.370 1.00 0.00 H new ATOM 0 HE ARG A 52 7.167 -5.231 -12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.358 -3.130 -12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.949 -2.484 -14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.913 -4.393 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.951 -3.195 -15.103 1.00 0.00 H new ATOM 801 N ASP A 53 2.129 -8.559 -8.300 1.00 0.00 N ATOM 802 CA ASP A 53 2.036 -8.959 -6.899 1.00 0.00 C ATOM 803 C ASP A 53 1.341 -7.888 -6.053 1.00 0.00 C ATOM 804 O ASP A 53 1.329 -7.966 -4.826 1.00 0.00 O ATOM 805 CB ASP A 53 3.436 -9.298 -6.346 1.00 0.00 C ATOM 806 CG ASP A 53 4.062 -8.191 -5.510 1.00 0.00 C ATOM 807 OD1 ASP A 53 3.631 -8.000 -4.355 1.00 0.00 O ATOM 808 OD2 ASP A 53 4.996 -7.528 -6.008 1.00 0.00 O ATOM 0 H ASP A 53 1.498 -9.065 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 53 1.420 -9.856 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.366 -10.201 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.099 -9.526 -7.181 1.00 0.00 H new ATOM 813 N GLY A 54 0.753 -6.893 -6.715 1.00 0.00 N ATOM 814 CA GLY A 54 0.067 -5.837 -5.998 1.00 0.00 C ATOM 815 C GLY A 54 1.011 -5.021 -5.140 1.00 0.00 C ATOM 816 O GLY A 54 0.589 -4.370 -4.183 1.00 0.00 O ATOM 0 H GLY A 54 0.741 -6.802 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.432 -5.181 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.709 -6.272 -5.368 1.00 0.00 H new ATOM 820 N SER A 55 2.292 -5.053 -5.484 1.00 0.00 N ATOM 821 CA SER A 55 3.301 -4.311 -4.746 1.00 0.00 C ATOM 822 C SER A 55 3.225 -2.830 -5.077 1.00 0.00 C ATOM 823 O SER A 55 3.891 -2.348 -5.994 1.00 0.00 O ATOM 824 CB SER A 55 4.699 -4.845 -5.063 1.00 0.00 C ATOM 825 OG SER A 55 5.123 -5.782 -4.086 1.00 0.00 O ATOM 0 H SER A 55 2.656 -5.588 -6.273 1.00 0.00 H new ATOM 0 HA SER A 55 3.107 -4.442 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.697 -5.316 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.406 -4.017 -5.108 1.00 0.00 H new ATOM 0 HG SER A 55 5.470 -6.584 -4.530 1.00 0.00 H new ATOM 831 N LEU A 56 2.409 -2.111 -4.320 1.00 0.00 N ATOM 832 CA LEU A 56 2.240 -0.683 -4.520 1.00 0.00 C ATOM 833 C LEU A 56 3.549 0.058 -4.264 1.00 0.00 C ATOM 834 O LEU A 56 3.697 1.221 -4.638 1.00 0.00 O ATOM 835 CB LEU A 56 1.138 -0.155 -3.596 1.00 0.00 C ATOM 836 CG LEU A 56 -0.296 -0.418 -4.070 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.279 0.414 -3.266 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.440 -0.133 -5.560 1.00 0.00 C ATOM 0 H LEU A 56 1.852 -2.498 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 56 1.949 -0.508 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.266 -0.605 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.272 0.920 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.521 -1.472 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.293 0.216 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.200 0.152 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.051 1.472 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.467 -0.328 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.193 0.910 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.237 -0.778 -6.121 1.00 0.00 H new ATOM 850 N GLY A 57 4.498 -0.624 -3.623 1.00 0.00 N ATOM 851 CA GLY A 57 5.780 -0.016 -3.328 1.00 0.00 C ATOM 852 C GLY A 57 5.637 1.350 -2.709 1.00 0.00 C ATOM 853 O GLY A 57 4.536 1.771 -2.356 1.00 0.00 O ATOM 0 H GLY A 57 4.398 -1.588 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.339 -0.662 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.362 0.063 -4.246 1.00 0.00 H new ATOM 857 N TYR A 58 6.754 2.046 -2.577 1.00 0.00 N ATOM 858 CA TYR A 58 6.752 3.371 -1.990 1.00 0.00 C ATOM 859 C TYR A 58 5.813 4.314 -2.724 1.00 0.00 C ATOM 860 O TYR A 58 5.960 4.556 -3.923 1.00 0.00 O ATOM 861 CB TYR A 58 8.152 3.971 -1.987 1.00 0.00 C ATOM 862 CG TYR A 58 8.891 3.841 -3.298 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.631 2.705 -3.600 1.00 0.00 C ATOM 864 CD2 TYR A 58 8.851 4.867 -4.233 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.309 2.594 -4.800 1.00 0.00 C ATOM 866 CE2 TYR A 58 9.526 4.765 -5.435 1.00 0.00 C ATOM 867 CZ TYR A 58 10.254 3.627 -5.713 1.00 0.00 C ATOM 868 OH TYR A 58 10.929 3.520 -6.908 1.00 0.00 O ATOM 0 H TYR A 58 7.673 1.713 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 58 6.402 3.255 -0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.081 5.027 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.738 3.490 -1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.678 1.896 -2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.283 5.760 -4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.879 1.703 -5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 58 9.484 5.571 -6.152 1.00 0.00 H new ATOM 0 HH TYR A 58 10.787 4.332 -7.438 1.00 0.00 H new ATOM 878 N PHE A 59 4.870 4.868 -1.981 1.00 0.00 N ATOM 879 CA PHE A 59 3.921 5.820 -2.525 1.00 0.00 C ATOM 880 C PHE A 59 3.575 6.843 -1.472 1.00 0.00 C ATOM 881 O PHE A 59 3.451 6.525 -0.289 1.00 0.00 O ATOM 882 CB PHE A 59 2.658 5.135 -3.027 1.00 0.00 C ATOM 883 CG PHE A 59 1.991 4.262 -2.005 1.00 0.00 C ATOM 884 CD1 PHE A 59 1.380 4.821 -0.895 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.970 2.885 -2.155 1.00 0.00 C ATOM 886 CE1 PHE A 59 0.758 4.025 0.047 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.350 2.084 -1.215 1.00 0.00 C ATOM 888 CZ PHE A 59 0.745 2.654 -0.114 1.00 0.00 C ATOM 0 H PHE A 59 4.742 4.671 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 59 4.386 6.312 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.951 5.896 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.907 4.531 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.390 5.893 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.443 2.433 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.283 4.474 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.339 1.012 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.262 2.028 0.621 1.00 0.00 H new ATOM 898 N GLY A 60 3.447 8.078 -1.904 1.00 0.00 N ATOM 899 CA GLY A 60 3.147 9.153 -0.983 1.00 0.00 C ATOM 900 C GLY A 60 1.717 9.644 -1.092 1.00 0.00 C ATOM 901 O GLY A 60 0.906 9.066 -1.815 1.00 0.00 O ATOM 0 H GLY A 60 3.545 8.362 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.332 8.813 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.826 9.985 -1.170 1.00 0.00 H new ATOM 905 N ARG A 61 1.407 10.713 -0.365 1.00 0.00 N ATOM 906 CA ARG A 61 0.076 11.286 -0.372 1.00 0.00 C ATOM 907 C ARG A 61 -0.182 11.988 -1.688 1.00 0.00 C ATOM 908 O ARG A 61 0.073 13.184 -1.830 1.00 0.00 O ATOM 909 CB ARG A 61 -0.094 12.266 0.791 1.00 0.00 C ATOM 910 CG ARG A 61 1.004 13.316 0.870 1.00 0.00 C ATOM 911 CD ARG A 61 2.083 12.931 1.872 1.00 0.00 C ATOM 912 NE ARG A 61 2.115 13.838 3.018 1.00 0.00 N ATOM 913 CZ ARG A 61 1.430 13.643 4.143 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.647 12.579 4.282 1.00 0.00 N ATOM 915 NH2 ARG A 61 1.524 14.518 5.135 1.00 0.00 N ATOM 0 H ARG A 61 2.069 11.199 0.239 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.648 10.480 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.057 12.767 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.117 11.706 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.453 13.448 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.570 14.275 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.908 11.913 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.055 12.936 1.378 1.00 0.00 H new ATOM 0 HE ARG A 61 2.698 14.672 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.566 11.902 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.126 12.439 5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.121 15.339 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.000 14.370 5.997 1.00 0.00 H new ATOM 929 N GLY A 62 -0.684 11.237 -2.649 1.00 0.00 N ATOM 930 CA GLY A 62 -0.965 11.803 -3.944 1.00 0.00 C ATOM 931 C GLY A 62 -0.772 10.812 -5.077 1.00 0.00 C ATOM 932 O GLY A 62 -0.305 11.179 -6.156 1.00 0.00 O ATOM 0 H GLY A 62 -0.902 10.245 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.991 12.169 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.317 12.664 -4.107 1.00 0.00 H new ATOM 936 N LYS A 63 -1.126 9.553 -4.833 1.00 0.00 N ATOM 937 CA LYS A 63 -0.980 8.512 -5.844 1.00 0.00 C ATOM 938 C LYS A 63 -2.210 7.608 -5.897 1.00 0.00 C ATOM 939 O LYS A 63 -2.665 7.231 -6.978 1.00 0.00 O ATOM 940 CB LYS A 63 0.268 7.674 -5.563 1.00 0.00 C ATOM 941 CG LYS A 63 1.558 8.332 -6.026 1.00 0.00 C ATOM 942 CD LYS A 63 2.082 7.695 -7.305 1.00 0.00 C ATOM 943 CE LYS A 63 1.519 8.376 -8.541 1.00 0.00 C ATOM 944 NZ LYS A 63 2.583 9.033 -9.349 1.00 0.00 N ATOM 0 H LYS A 63 -1.515 9.231 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.877 9.002 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.332 7.480 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.165 6.707 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.386 9.395 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.311 8.250 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.170 7.753 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.818 6.637 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.999 7.641 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.781 9.119 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.156 9.485 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.063 9.753 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.274 8.320 -9.658 1.00 0.00 H new ATOM 958 N MET A 64 -2.740 7.252 -4.730 1.00 0.00 N ATOM 959 CA MET A 64 -3.910 6.382 -4.658 1.00 0.00 C ATOM 960 C MET A 64 -5.165 7.164 -4.283 1.00 0.00 C ATOM 961 O MET A 64 -5.103 8.354 -3.977 1.00 0.00 O ATOM 962 CB MET A 64 -3.676 5.261 -3.644 1.00 0.00 C ATOM 963 CG MET A 64 -2.343 4.550 -3.815 1.00 0.00 C ATOM 964 SD MET A 64 -0.971 5.449 -3.065 1.00 0.00 S ATOM 965 CE MET A 64 -1.526 5.568 -1.367 1.00 0.00 C ATOM 0 H MET A 64 -2.379 7.551 -3.824 1.00 0.00 H new ATOM 0 HA MET A 64 -4.062 5.950 -5.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.730 5.676 -2.638 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.481 4.531 -3.731 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.407 3.557 -3.371 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.144 4.412 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.764 6.069 -0.770 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.453 6.139 -1.327 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.699 4.568 -0.970 1.00 0.00 H new ATOM 975 N VAL A 65 -6.307 6.481 -4.313 1.00 0.00 N ATOM 976 CA VAL A 65 -7.585 7.098 -3.977 1.00 0.00 C ATOM 977 C VAL A 65 -7.551 7.703 -2.574 1.00 0.00 C ATOM 978 O VAL A 65 -6.686 7.370 -1.766 1.00 0.00 O ATOM 979 CB VAL A 65 -8.739 6.079 -4.071 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.887 5.567 -5.496 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.508 4.927 -3.107 1.00 0.00 C ATOM 0 H VAL A 65 -6.372 5.496 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.759 7.893 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.666 6.580 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.706 4.849 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.099 6.403 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.962 5.082 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.331 4.217 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.572 4.427 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.455 5.310 -2.088 1.00 0.00 H new ATOM 991 N LYS A 66 -8.487 8.606 -2.299 1.00 0.00 N ATOM 992 CA LYS A 66 -8.557 9.277 -1.002 1.00 0.00 C ATOM 993 C LYS A 66 -8.761 8.299 0.159 1.00 0.00 C ATOM 994 O LYS A 66 -8.061 8.383 1.169 1.00 0.00 O ATOM 995 CB LYS A 66 -9.684 10.311 -1.006 1.00 0.00 C ATOM 996 CG LYS A 66 -9.383 11.542 -0.168 1.00 0.00 C ATOM 997 CD LYS A 66 -10.627 12.051 0.547 1.00 0.00 C ATOM 998 CE LYS A 66 -10.490 11.934 2.058 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.813 11.781 2.725 1.00 0.00 N ATOM 0 H LYS A 66 -9.211 8.892 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.597 9.769 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.879 10.620 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.596 9.843 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.613 11.304 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.982 12.329 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.803 13.092 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.496 11.484 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.860 11.078 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.988 12.820 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.677 11.705 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.406 12.609 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.282 10.922 2.373 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.721 7.362 0.049 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.987 6.397 1.118 1.00 0.00 C ATOM 1015 C PRO A 67 -8.807 5.466 1.342 1.00 0.00 C ATOM 1016 O PRO A 67 -8.440 5.167 2.478 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.200 5.605 0.625 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.304 5.871 -0.839 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.613 7.179 -1.106 1.00 0.00 C ATOM 0 HA PRO A 67 -10.162 6.894 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.074 4.540 0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.106 5.919 1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.839 5.067 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.348 5.918 -1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.053 7.149 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.329 7.997 -1.189 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.215 5.017 0.246 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.067 4.121 0.310 1.00 0.00 C ATOM 1029 C PHE A 68 -5.827 4.876 0.771 1.00 0.00 C ATOM 1030 O PHE A 68 -5.148 4.461 1.712 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.806 3.478 -1.054 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.905 2.278 -0.993 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.538 2.432 -0.829 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.422 0.998 -1.106 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.703 1.333 -0.776 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.593 -0.106 -1.055 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.232 0.061 -0.890 1.00 0.00 C ATOM 0 H PHE A 68 -8.510 5.258 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.292 3.335 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.758 3.184 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.363 4.221 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.120 3.424 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.485 0.861 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.639 1.467 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.009 -1.099 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.582 -0.801 -0.850 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.543 5.993 0.108 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.388 6.813 0.451 1.00 0.00 C ATOM 1049 C GLU A 69 -4.442 7.230 1.916 1.00 0.00 C ATOM 1050 O GLU A 69 -3.410 7.376 2.569 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.336 8.051 -0.447 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.982 8.738 -0.466 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.093 10.246 -0.350 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.619 10.876 -1.290 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.652 10.796 0.682 1.00 0.00 O ATOM 0 H GLU A 69 -6.098 6.350 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.486 6.222 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.601 7.762 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.090 8.763 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.374 8.358 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.463 8.485 -1.391 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.655 7.411 2.425 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.848 7.802 3.816 1.00 0.00 C ATOM 1064 C ASP A 70 -5.386 6.695 4.756 1.00 0.00 C ATOM 1065 O ASP A 70 -4.600 6.932 5.673 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.320 8.126 4.078 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.558 8.634 5.485 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.893 9.614 5.885 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.411 8.055 6.190 1.00 0.00 O ATOM 0 H ASP A 70 -6.519 7.293 1.896 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.249 8.693 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.657 8.876 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.921 7.232 3.911 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.877 5.483 4.519 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.516 4.335 5.341 1.00 0.00 C ATOM 1076 C ALA A 71 -4.103 3.843 5.024 1.00 0.00 C ATOM 1077 O ALA A 71 -3.543 3.029 5.758 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.520 3.209 5.144 1.00 0.00 C ATOM 0 H ALA A 71 -6.527 5.271 3.762 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.535 4.652 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.238 2.358 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.514 3.553 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.528 2.908 4.096 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.534 4.336 3.927 1.00 0.00 N ATOM 1085 CA ALA A 72 -2.190 3.939 3.520 1.00 0.00 C ATOM 1086 C ALA A 72 -1.156 4.326 4.573 1.00 0.00 C ATOM 1087 O ALA A 72 -0.327 3.510 4.974 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.842 4.561 2.177 1.00 0.00 C ATOM 0 H ALA A 72 -3.982 5.010 3.306 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.173 2.854 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.837 4.257 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.556 4.225 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.884 5.647 2.257 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.211 5.578 5.014 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.278 6.078 6.020 1.00 0.00 C ATOM 1096 C PHE A 73 -0.862 5.954 7.427 1.00 0.00 C ATOM 1097 O PHE A 73 -0.374 6.583 8.365 1.00 0.00 O ATOM 1098 CB PHE A 73 0.082 7.537 5.734 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.103 8.392 5.391 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -2.085 8.646 6.334 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.236 8.937 4.125 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.180 9.430 6.020 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.328 9.722 3.805 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.301 9.968 4.754 1.00 0.00 C ATOM 0 H PHE A 73 -1.891 6.266 4.691 1.00 0.00 H new ATOM 0 HA PHE A 73 0.624 5.469 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.582 7.957 6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.795 7.572 4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.995 8.227 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.478 8.747 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.939 9.621 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.420 10.142 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.155 10.580 4.506 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.905 5.141 7.569 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.543 4.941 8.864 1.00 0.00 C ATOM 1116 C ARG A 74 -2.038 3.661 9.522 1.00 0.00 C ATOM 1117 O ARG A 74 -2.049 3.533 10.746 1.00 0.00 O ATOM 1118 CB ARG A 74 -4.064 4.881 8.705 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.824 5.251 9.968 1.00 0.00 C ATOM 1120 CD ARG A 74 -6.304 5.459 9.686 1.00 0.00 C ATOM 1121 NE ARG A 74 -7.144 4.946 10.765 1.00 0.00 N ATOM 1122 CZ ARG A 74 -8.441 4.676 10.631 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -9.049 4.868 9.466 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -9.131 4.212 11.663 1.00 0.00 N ATOM 0 H ARG A 74 -2.325 4.612 6.805 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.287 5.786 9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.363 5.553 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.350 3.874 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.701 4.464 10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.402 6.161 10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.501 6.522 9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.569 4.962 8.753 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.712 4.785 11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.522 5.224 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.043 4.660 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.669 4.062 12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.125 4.005 11.561 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.600 2.715 8.698 1.00 0.00 N ATOM 1139 CA LEU A 75 -1.094 1.444 9.196 1.00 0.00 C ATOM 1140 C LEU A 75 0.427 1.398 9.139 1.00 0.00 C ATOM 1141 O LEU A 75 1.013 0.465 8.589 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.682 0.288 8.387 1.00 0.00 C ATOM 1143 CG LEU A 75 -3.147 -0.056 8.674 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.366 -1.543 8.491 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.556 0.363 10.081 1.00 0.00 C ATOM 0 H LEU A 75 -1.586 2.806 7.682 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.400 1.345 10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.586 0.526 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.078 -0.601 8.569 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.769 0.497 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.409 -1.785 8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.123 -1.823 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.724 -2.093 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.601 0.103 10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.932 -0.154 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.428 1.440 10.192 1.00 0.00 H new ATOM 1157 N GLN A 76 1.064 2.404 9.724 1.00 0.00 N ATOM 1158 CA GLN A 76 2.519 2.470 9.756 1.00 0.00 C ATOM 1159 C GLN A 76 3.085 1.248 10.471 1.00 0.00 C ATOM 1160 O GLN A 76 4.240 0.871 10.270 1.00 0.00 O ATOM 1161 CB GLN A 76 2.980 3.752 10.450 1.00 0.00 C ATOM 1162 CG GLN A 76 2.925 4.976 9.553 1.00 0.00 C ATOM 1163 CD GLN A 76 3.888 6.064 9.988 1.00 0.00 C ATOM 1164 OE1 GLN A 76 3.992 6.378 11.173 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.594 6.648 9.027 1.00 0.00 N ATOM 0 H GLN A 76 0.596 3.186 10.183 1.00 0.00 H new ATOM 0 HA GLN A 76 2.890 2.479 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.357 3.925 11.328 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.001 3.617 10.806 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.154 4.682 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.910 5.374 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.475 6.355 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.255 7.389 9.259 1.00 0.00 H new ATOM 1174 N VAL A 77 2.249 0.626 11.298 1.00 0.00 N ATOM 1175 CA VAL A 77 2.640 -0.564 12.039 1.00 0.00 C ATOM 1176 C VAL A 77 2.993 -1.697 11.083 1.00 0.00 C ATOM 1177 O VAL A 77 3.775 -2.587 11.419 1.00 0.00 O ATOM 1178 CB VAL A 77 1.506 -1.029 12.982 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.175 -1.061 12.241 1.00 0.00 C ATOM 1180 CG2 VAL A 77 1.817 -2.394 13.587 1.00 0.00 C ATOM 0 H VAL A 77 1.291 0.931 11.471 1.00 0.00 H new ATOM 0 HA VAL A 77 3.514 -0.307 12.637 1.00 0.00 H new ATOM 0 HB VAL A 77 1.432 -0.311 13.798 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.612 -1.390 12.920 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.060 -0.063 11.871 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.243 -1.753 11.401 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.002 -2.694 14.245 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.929 -3.129 12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.743 -2.336 14.159 1.00 0.00 H new ATOM 1190 N GLY A 78 2.403 -1.662 9.892 1.00 0.00 N ATOM 1191 CA GLY A 78 2.659 -2.695 8.912 1.00 0.00 C ATOM 1192 C GLY A 78 1.631 -3.789 8.975 1.00 0.00 C ATOM 1193 O GLY A 78 1.963 -4.960 9.161 1.00 0.00 O ATOM 0 H GLY A 78 1.753 -0.936 9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.663 -2.257 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.650 -3.117 9.079 1.00 0.00 H new ATOM 1197 N GLU A 79 0.379 -3.404 8.848 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.710 -4.354 8.917 1.00 0.00 C ATOM 1199 C GLU A 79 -1.748 -4.070 7.848 1.00 0.00 C ATOM 1200 O GLU A 79 -1.636 -3.093 7.107 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.344 -4.272 10.296 1.00 0.00 C ATOM 1202 CG GLU A 79 -2.033 -5.548 10.740 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.534 -5.388 10.877 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.971 -4.469 11.601 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.275 -6.183 10.260 1.00 0.00 O ATOM 0 H GLU A 79 0.090 -2.438 8.696 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.320 -5.357 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.573 -4.016 11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.070 -3.459 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.821 -6.339 10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.617 -5.866 11.696 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.759 -4.921 7.769 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.809 -4.735 6.789 1.00 0.00 C ATOM 1214 C VAL A 80 -4.890 -3.808 7.333 1.00 0.00 C ATOM 1215 O VAL A 80 -5.148 -3.784 8.537 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.439 -6.077 6.361 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.521 -5.853 5.315 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.369 -7.024 5.835 1.00 0.00 C ATOM 0 H VAL A 80 -2.872 -5.739 8.367 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.352 -4.281 5.909 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.902 -6.534 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.952 -6.812 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.301 -5.214 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.086 -5.373 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.831 -7.966 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.876 -6.574 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.633 -7.212 6.617 1.00 0.00 H new ATOM 1228 N SER A 81 -5.509 -3.032 6.448 1.00 0.00 N ATOM 1229 CA SER A 81 -6.544 -2.090 6.861 1.00 0.00 C ATOM 1230 C SER A 81 -7.935 -2.587 6.477 1.00 0.00 C ATOM 1231 O SER A 81 -8.087 -3.455 5.620 1.00 0.00 O ATOM 1232 CB SER A 81 -6.289 -0.715 6.239 1.00 0.00 C ATOM 1233 OG SER A 81 -5.287 -0.783 5.239 1.00 0.00 O ATOM 0 H SER A 81 -5.314 -3.036 5.447 1.00 0.00 H new ATOM 0 HA SER A 81 -6.503 -2.006 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.213 -0.332 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.985 -0.013 7.015 1.00 0.00 H new ATOM 0 HG SER A 81 -4.540 -0.198 5.484 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.943 -2.031 7.143 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.333 -2.405 6.909 1.00 0.00 C ATOM 1241 C GLU A 82 -10.700 -2.361 5.426 1.00 0.00 C ATOM 1242 O GLU A 82 -10.088 -1.639 4.633 1.00 0.00 O ATOM 1243 CB GLU A 82 -11.260 -1.480 7.700 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.975 -1.466 9.193 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.183 -0.247 9.624 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -9.482 0.336 8.771 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -10.263 0.122 10.814 1.00 0.00 O ATOM 0 H GLU A 82 -8.820 -1.312 7.856 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.457 -3.434 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.166 -0.466 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.293 -1.789 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.918 -1.494 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.424 -2.367 9.462 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.723 -3.132 5.031 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.177 -3.172 3.646 1.00 0.00 C ATOM 1256 C PRO A 83 -12.562 -1.790 3.138 1.00 0.00 C ATOM 1257 O PRO A 83 -13.607 -1.250 3.500 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.404 -4.094 3.678 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.792 -4.181 5.115 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.520 -4.017 5.893 1.00 0.00 C ATOM 0 HA PRO A 83 -11.395 -3.525 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.217 -3.689 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.167 -5.078 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.511 -3.404 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.264 -5.138 5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.699 -3.574 6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.023 -4.972 6.062 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.709 -1.224 2.295 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.954 0.096 1.730 1.00 0.00 C ATOM 1270 C VAL A 84 -12.486 -0.033 0.310 1.00 0.00 C ATOM 1271 O VAL A 84 -11.747 -0.376 -0.612 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.667 0.945 1.700 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.932 2.310 1.085 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -10.080 1.090 3.094 1.00 0.00 C ATOM 0 H VAL A 84 -10.840 -1.659 1.987 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.689 0.591 2.365 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.938 0.427 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.009 2.890 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.293 2.185 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.684 2.835 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.173 1.693 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.806 1.577 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.840 0.104 3.492 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.777 0.235 0.142 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.409 0.133 -1.164 1.00 0.00 C ATOM 1286 C LYS A 85 -14.369 1.460 -1.908 1.00 0.00 C ATOM 1287 O LYS A 85 -15.020 2.428 -1.514 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.859 -0.330 -1.016 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.404 -1.028 -2.251 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.382 -0.114 -3.466 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.519 -0.432 -4.425 1.00 0.00 C ATOM 1292 NZ LYS A 85 -18.764 0.305 -4.072 1.00 0.00 N ATOM 0 H LYS A 85 -14.403 0.524 0.894 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.850 -0.601 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.930 -1.007 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.486 0.533 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.813 -1.921 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.425 -1.358 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.457 0.924 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.428 -0.218 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.220 -0.174 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.716 -1.504 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.515 0.062 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.064 0.040 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.584 1.329 -4.108 1.00 0.00 H new ATOM 1306 N SER A 86 -13.609 1.489 -2.995 1.00 0.00 N ATOM 1307 CA SER A 86 -13.490 2.687 -3.813 1.00 0.00 C ATOM 1308 C SER A 86 -14.289 2.522 -5.101 1.00 0.00 C ATOM 1309 O SER A 86 -15.030 1.553 -5.260 1.00 0.00 O ATOM 1310 CB SER A 86 -12.021 2.965 -4.135 1.00 0.00 C ATOM 1311 OG SER A 86 -11.472 3.913 -3.235 1.00 0.00 O ATOM 0 H SER A 86 -13.065 0.694 -3.331 1.00 0.00 H new ATOM 0 HA SER A 86 -13.891 3.534 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.452 2.037 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.933 3.335 -5.156 1.00 0.00 H new ATOM 0 HG SER A 86 -11.452 4.795 -3.661 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.135 3.467 -6.022 1.00 0.00 N ATOM 1318 CA GLU A 87 -14.844 3.408 -7.294 1.00 0.00 C ATOM 1319 C GLU A 87 -14.451 2.162 -8.089 1.00 0.00 C ATOM 1320 O GLU A 87 -15.125 1.795 -9.051 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.555 4.665 -8.117 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.075 4.988 -8.237 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.762 6.429 -7.886 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.585 7.312 -8.211 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -11.695 6.677 -7.287 1.00 0.00 O ATOM 0 H GLU A 87 -13.528 4.279 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 87 -15.912 3.354 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.973 4.539 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.067 5.513 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.508 4.327 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.744 4.786 -9.256 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.355 1.520 -7.687 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.875 0.325 -8.371 1.00 0.00 C ATOM 1334 C PHE A 88 -13.353 -0.953 -7.676 1.00 0.00 C ATOM 1335 O PHE A 88 -13.649 -1.950 -8.336 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.347 0.340 -8.439 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.809 0.942 -9.707 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.722 2.317 -9.854 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.390 0.132 -10.750 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.227 2.873 -11.018 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.894 0.682 -11.917 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.813 2.054 -12.051 1.00 0.00 C ATOM 0 H PHE A 88 -12.785 1.809 -6.892 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.286 0.331 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.959 0.899 -7.588 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.977 -0.681 -8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.045 2.961 -9.050 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.452 -0.942 -10.650 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.164 3.946 -11.120 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.570 0.040 -12.723 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.427 2.486 -12.962 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.418 -0.922 -6.348 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.850 -2.093 -5.601 1.00 0.00 C ATOM 1354 C GLY A 89 -13.382 -2.079 -4.168 1.00 0.00 C ATOM 1355 O GLY A 89 -12.930 -1.053 -3.662 1.00 0.00 O ATOM 0 H GLY A 89 -13.181 -0.111 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.938 -2.150 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.474 -2.990 -6.092 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.497 -3.226 -3.513 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.095 -3.360 -2.134 1.00 0.00 C ATOM 1361 C TYR A 90 -11.585 -3.554 -2.049 1.00 0.00 C ATOM 1362 O TYR A 90 -11.070 -4.652 -2.257 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.853 -4.528 -1.520 1.00 0.00 C ATOM 1364 CG TYR A 90 -15.349 -4.310 -1.476 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -15.920 -3.472 -0.528 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -16.189 -4.937 -2.388 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.287 -3.265 -0.487 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -17.557 -4.735 -2.353 1.00 0.00 C ATOM 1369 CZ TYR A 90 -18.100 -3.898 -1.402 1.00 0.00 C ATOM 1370 OH TYR A 90 -19.462 -3.695 -1.367 1.00 0.00 O ATOM 0 H TYR A 90 -13.870 -4.081 -3.926 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.336 -2.456 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -13.641 -5.431 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.487 -4.698 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -15.286 -2.973 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -15.767 -5.592 -3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.715 -2.611 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.197 -5.231 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 90 -19.889 -4.214 -2.081 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.887 -2.458 -1.778 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.431 -2.457 -1.703 1.00 0.00 C ATOM 1382 C HIS A 91 -8.908 -2.918 -0.345 1.00 0.00 C ATOM 1383 O HIS A 91 -9.658 -3.056 0.620 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.905 -1.055 -2.004 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.185 -0.598 -3.401 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.455 -0.315 -3.859 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.352 -0.376 -4.445 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.392 0.060 -5.124 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.128 0.033 -5.502 1.00 0.00 N ATOM 0 H HIS A 91 -11.313 -1.547 -1.604 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.070 -3.169 -2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.352 -0.350 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.829 -1.035 -1.833 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.310 -0.384 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.279 -0.498 -4.446 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.231 0.341 -5.743 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.597 -3.138 -0.298 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.909 -3.569 0.913 1.00 0.00 C ATOM 1400 C VAL A 92 -5.482 -3.029 0.906 1.00 0.00 C ATOM 1401 O VAL A 92 -4.872 -2.907 -0.156 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.873 -5.103 1.028 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.354 -5.527 2.392 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.250 -5.693 0.767 1.00 0.00 C ATOM 0 H VAL A 92 -6.981 -3.022 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.457 -3.178 1.770 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.190 -5.487 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.337 -6.615 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.345 -5.139 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.008 -5.131 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.203 -6.779 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.958 -5.301 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.577 -5.423 -0.237 1.00 0.00 H new ATOM 1414 N ILE A 93 -4.953 -2.689 2.079 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.598 -2.142 2.163 1.00 0.00 C ATOM 1416 C ILE A 93 -2.703 -2.961 3.087 1.00 0.00 C ATOM 1417 O ILE A 93 -3.000 -3.121 4.268 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.603 -0.678 2.659 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -4.979 -0.037 2.437 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.513 0.119 1.955 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.028 1.440 2.770 1.00 0.00 C ATOM 0 H ILE A 93 -5.433 -2.780 2.974 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.199 -2.184 1.149 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.398 -0.671 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.269 -0.175 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.716 -0.561 3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.526 1.149 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.541 -0.326 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.690 0.106 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.033 1.821 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.770 1.585 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.317 1.978 2.143 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.594 -3.453 2.542 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.635 -4.234 3.317 1.00 0.00 C ATOM 1435 C LYS A 94 0.776 -3.674 3.139 1.00 0.00 C ATOM 1436 O LYS A 94 1.368 -3.790 2.069 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.683 -5.707 2.901 1.00 0.00 C ATOM 1438 CG LYS A 94 0.358 -6.573 3.595 1.00 0.00 C ATOM 1439 CD LYS A 94 0.287 -6.430 5.107 1.00 0.00 C ATOM 1440 CE LYS A 94 1.017 -7.563 5.812 1.00 0.00 C ATOM 1441 NZ LYS A 94 0.085 -8.424 6.594 1.00 0.00 N ATOM 0 H LYS A 94 -1.337 -3.324 1.563 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.904 -4.165 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.675 -6.104 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.539 -5.776 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.206 -7.617 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.353 -6.294 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.723 -5.476 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.756 -6.416 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.541 -8.171 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.773 -7.148 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.456 -9.395 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.002 -8.052 7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.850 -8.426 6.139 1.00 0.00 H new ATOM 1455 N ARG A 95 1.299 -3.052 4.188 1.00 0.00 N ATOM 1456 CA ARG A 95 2.628 -2.448 4.143 1.00 0.00 C ATOM 1457 C ARG A 95 3.709 -3.454 3.769 1.00 0.00 C ATOM 1458 O ARG A 95 3.776 -4.559 4.309 1.00 0.00 O ATOM 1459 CB ARG A 95 2.961 -1.813 5.495 1.00 0.00 C ATOM 1460 CG ARG A 95 3.971 -0.680 5.404 1.00 0.00 C ATOM 1461 CD ARG A 95 4.471 -0.264 6.778 1.00 0.00 C ATOM 1462 NE ARG A 95 5.872 -0.619 6.983 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.893 0.091 6.510 1.00 0.00 C ATOM 1464 NH1 ARG A 95 6.675 1.195 5.805 1.00 0.00 N ATOM 1465 NH2 ARG A 95 8.139 -0.303 6.743 1.00 0.00 N ATOM 0 H ARG A 95 0.822 -2.951 5.084 1.00 0.00 H new ATOM 0 HA ARG A 95 2.608 -1.683 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.043 -1.435 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.350 -2.582 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.815 -0.992 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.514 0.176 4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.349 0.813 6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.861 -0.741 7.545 1.00 0.00 H new ATOM 0 HE ARG A 95 6.080 -1.461 7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.720 1.504 5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.463 1.734 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.313 -1.150 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.922 0.241 6.381 1.00 0.00 H new ATOM 1479 N LEU A 96 4.555 -3.037 2.830 1.00 0.00 N ATOM 1480 CA LEU A 96 5.649 -3.837 2.342 1.00 0.00 C ATOM 1481 C LEU A 96 6.653 -2.947 1.604 1.00 0.00 C ATOM 1482 O LEU A 96 6.333 -2.340 0.583 1.00 0.00 O ATOM 1483 CB LEU A 96 5.111 -4.931 1.413 1.00 0.00 C ATOM 1484 CG LEU A 96 5.184 -4.634 -0.091 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.590 -4.890 -0.620 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.163 -5.464 -0.854 1.00 0.00 C ATOM 0 H LEU A 96 4.489 -2.120 2.388 1.00 0.00 H new ATOM 0 HA LEU A 96 6.158 -4.311 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.664 -5.850 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.070 -5.123 1.675 1.00 0.00 H new ATOM 0 HG LEU A 96 4.947 -3.581 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.622 -4.674 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.298 -4.246 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.857 -5.933 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.232 -5.238 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.363 -6.524 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.161 -5.226 -0.497 1.00 0.00 H new ATOM 1498 N GLY A 97 7.862 -2.870 2.127 1.00 0.00 N ATOM 1499 CA GLY A 97 8.886 -2.057 1.499 1.00 0.00 C ATOM 1500 C GLY A 97 10.288 -2.478 1.891 1.00 0.00 C ATOM 1501 O GLY A 97 11.212 -2.307 1.068 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.463 -2.981 3.022 1.00 0.00 O ATOM 0 H GLY A 97 8.157 -3.354 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.781 -2.121 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.734 -1.013 1.773 1.00 0.00 H new