USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=13 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 Set 1.1: A 86 SER OG : rot 77:sc= 1.07 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -2.83 K(o=-1.8,f=-10!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.00866 (180deg=-0.0586) USER MOD Single : A 12 CYS SG : rot 150:sc= -12.8! USER MOD Single : A 13 SER OG : rot 85:sc= 0.258 USER MOD Single : A 14 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-3.9!) 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 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.19) 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 -118:sc= -2.22! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 19:sc= 0.818 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 -170:sc= -3.42 (180deg=-3.65) USER MOD Single : A 66 LYS NZ :NH3+ 137:sc= -0.533 (180deg=-1.78!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -100:sc= 0.06 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= -0.127 (180deg=-0.752) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.575 8.668 0.958 1.00 0.00 N ATOM 99 CA LYS A 9 6.510 7.826 0.457 1.00 0.00 C ATOM 100 C LYS A 9 6.221 6.664 1.379 1.00 0.00 C ATOM 101 O LYS A 9 6.961 6.386 2.323 1.00 0.00 O ATOM 102 CB LYS A 9 6.896 7.269 -0.901 1.00 0.00 C ATOM 103 CG LYS A 9 6.911 8.297 -2.005 1.00 0.00 C ATOM 104 CD LYS A 9 8.089 9.240 -1.867 1.00 0.00 C ATOM 105 CE LYS A 9 8.709 9.550 -3.215 1.00 0.00 C ATOM 106 NZ LYS A 9 10.179 9.315 -3.219 1.00 0.00 N ATOM 0 HA LYS A 9 5.616 8.446 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.884 6.815 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.199 6.475 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.957 7.795 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.982 8.867 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.763 10.166 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.839 8.795 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.241 8.931 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.507 10.589 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.564 9.539 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.630 9.924 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.372 8.318 -2.994 1.00 0.00 H new ATOM 120 N ILE A 10 5.146 5.965 1.059 1.00 0.00 N ATOM 121 CA ILE A 10 4.740 4.795 1.808 1.00 0.00 C ATOM 122 C ILE A 10 4.853 3.586 0.910 1.00 0.00 C ATOM 123 O ILE A 10 4.510 3.638 -0.272 1.00 0.00 O ATOM 124 CB ILE A 10 3.300 4.890 2.354 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.718 6.275 2.104 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.275 4.565 3.839 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.281 6.407 2.547 1.00 0.00 C ATOM 0 H ILE A 10 4.534 6.193 0.276 1.00 0.00 H new ATOM 0 HA ILE A 10 5.399 4.716 2.673 1.00 0.00 H new ATOM 0 HB ILE A 10 2.685 4.161 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.322 7.016 2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.786 6.504 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.253 4.636 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.648 3.553 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.906 5.272 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.928 7.417 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.666 5.690 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.210 6.210 3.617 1.00 0.00 H new ATOM 139 N LYS A 11 5.352 2.513 1.466 1.00 0.00 N ATOM 140 CA LYS A 11 5.537 1.291 0.711 1.00 0.00 C ATOM 141 C LYS A 11 4.535 0.237 1.151 1.00 0.00 C ATOM 142 O LYS A 11 4.723 -0.431 2.165 1.00 0.00 O ATOM 143 CB LYS A 11 6.976 0.808 0.873 1.00 0.00 C ATOM 144 CG LYS A 11 8.000 1.933 0.726 1.00 0.00 C ATOM 145 CD LYS A 11 9.103 1.823 1.765 1.00 0.00 C ATOM 146 CE LYS A 11 10.348 1.168 1.190 1.00 0.00 C ATOM 147 NZ LYS A 11 11.566 1.996 1.414 1.00 0.00 N ATOM 0 H LYS A 11 5.640 2.456 2.443 1.00 0.00 H new ATOM 0 HA LYS A 11 5.358 1.483 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.090 0.345 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.181 0.037 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.435 1.902 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.500 2.896 0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.353 2.816 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.746 1.243 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.486 0.188 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.212 1.005 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.399 1.377 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.687 2.658 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.463 2.532 2.299 1.00 0.00 H new ATOM 161 N CYS A 12 3.451 0.125 0.389 1.00 0.00 N ATOM 162 CA CYS A 12 2.384 -0.813 0.688 1.00 0.00 C ATOM 163 C CYS A 12 1.943 -1.546 -0.579 1.00 0.00 C ATOM 164 O CYS A 12 2.476 -1.302 -1.658 1.00 0.00 O ATOM 165 CB CYS A 12 1.207 -0.048 1.304 1.00 0.00 C ATOM 166 SG CYS A 12 0.192 -1.001 2.449 1.00 0.00 S ATOM 0 H CYS A 12 3.292 0.682 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 12 2.744 -1.559 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.596 0.826 1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.571 0.320 0.499 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.313 -0.207 3.346 1.00 0.00 H new ATOM 172 N SER A 13 0.971 -2.437 -0.440 1.00 0.00 N ATOM 173 CA SER A 13 0.443 -3.199 -1.568 1.00 0.00 C ATOM 174 C SER A 13 -1.083 -3.203 -1.506 1.00 0.00 C ATOM 175 O SER A 13 -1.657 -2.891 -0.462 1.00 0.00 O ATOM 176 CB SER A 13 0.985 -4.629 -1.550 1.00 0.00 C ATOM 177 OG SER A 13 1.092 -5.120 -0.225 1.00 0.00 O ATOM 0 H SER A 13 0.527 -2.653 0.452 1.00 0.00 H new ATOM 0 HA SER A 13 0.762 -2.730 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.327 -5.277 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.963 -4.656 -2.031 1.00 0.00 H new ATOM 0 HG SER A 13 0.229 -5.487 0.059 1.00 0.00 H new ATOM 183 N HIS A 14 -1.750 -3.529 -2.614 1.00 0.00 N ATOM 184 CA HIS A 14 -3.215 -3.526 -2.620 1.00 0.00 C ATOM 185 C HIS A 14 -3.825 -4.734 -3.322 1.00 0.00 C ATOM 186 O HIS A 14 -3.267 -5.279 -4.275 1.00 0.00 O ATOM 187 CB HIS A 14 -3.737 -2.235 -3.257 1.00 0.00 C ATOM 188 CG HIS A 14 -3.518 -2.155 -4.739 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.279 -2.292 -5.327 1.00 0.00 N ATOM 190 CD2 HIS A 14 -4.392 -1.945 -5.752 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.399 -2.169 -6.637 1.00 0.00 C ATOM 192 NE2 HIS A 14 -3.671 -1.960 -6.921 1.00 0.00 N ATOM 0 H HIS A 14 -1.314 -3.792 -3.498 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.525 -3.584 -1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.804 -2.146 -3.052 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.249 -1.384 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.457 -1.794 -5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.593 -2.229 -7.354 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.056 -1.831 -7.857 1.00 0.00 H new ATOM 201 N ILE A 15 -4.998 -5.127 -2.824 1.00 0.00 N ATOM 202 CA ILE A 15 -5.754 -6.255 -3.359 1.00 0.00 C ATOM 203 C ILE A 15 -7.209 -5.837 -3.591 1.00 0.00 C ATOM 204 O ILE A 15 -7.704 -4.914 -2.942 1.00 0.00 O ATOM 205 CB ILE A 15 -5.688 -7.468 -2.395 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.455 -8.317 -2.698 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.949 -8.324 -2.477 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.151 -7.652 -2.334 1.00 0.00 C ATOM 0 H ILE A 15 -5.451 -4.668 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.312 -6.554 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.617 -7.079 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.534 -9.260 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.444 -8.558 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.864 -9.164 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.816 -7.721 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.068 -8.700 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.323 -8.317 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.048 -6.722 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.139 -7.435 -1.266 1.00 0.00 H new ATOM 220 N LEU A 16 -7.888 -6.505 -4.522 1.00 0.00 N ATOM 221 CA LEU A 16 -9.278 -6.173 -4.829 1.00 0.00 C ATOM 222 C LEU A 16 -10.142 -7.418 -5.003 1.00 0.00 C ATOM 223 O LEU A 16 -9.753 -8.369 -5.681 1.00 0.00 O ATOM 224 CB LEU A 16 -9.347 -5.331 -6.106 1.00 0.00 C ATOM 225 CG LEU A 16 -9.737 -3.871 -5.898 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.626 -3.099 -7.203 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.147 -3.772 -5.336 1.00 0.00 C ATOM 0 H LEU A 16 -7.503 -7.272 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.667 -5.607 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.375 -5.365 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.065 -5.789 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.048 -3.429 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.908 -2.059 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.599 -3.143 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.291 -3.541 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.409 -2.724 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.849 -4.230 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.194 -4.291 -4.379 1.00 0.00 H new ATOM 239 N VAL A 17 -11.327 -7.389 -4.402 1.00 0.00 N ATOM 240 CA VAL A 17 -12.270 -8.495 -4.503 1.00 0.00 C ATOM 241 C VAL A 17 -13.704 -7.985 -4.429 1.00 0.00 C ATOM 242 O VAL A 17 -14.032 -7.161 -3.573 1.00 0.00 O ATOM 243 CB VAL A 17 -12.049 -9.531 -3.387 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.626 -10.066 -3.423 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.370 -8.925 -2.030 1.00 0.00 C ATOM 0 H VAL A 17 -11.658 -6.607 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.098 -8.975 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.725 -10.369 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.492 -10.797 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.440 -10.542 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.924 -9.244 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.209 -9.670 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.721 -8.068 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.411 -8.602 -2.013 1.00 0.00 H new ATOM 255 N LYS A 18 -14.558 -8.472 -5.320 1.00 0.00 N ATOM 256 CA LYS A 18 -15.952 -8.051 -5.330 1.00 0.00 C ATOM 257 C LYS A 18 -16.681 -8.608 -4.116 1.00 0.00 C ATOM 258 O LYS A 18 -17.533 -7.943 -3.529 1.00 0.00 O ATOM 259 CB LYS A 18 -16.643 -8.504 -6.618 1.00 0.00 C ATOM 260 CG LYS A 18 -15.939 -8.040 -7.882 1.00 0.00 C ATOM 261 CD LYS A 18 -16.553 -6.759 -8.429 1.00 0.00 C ATOM 262 CE LYS A 18 -15.551 -5.616 -8.433 1.00 0.00 C ATOM 263 NZ LYS A 18 -14.954 -5.405 -9.782 1.00 0.00 N ATOM 0 H LYS A 18 -14.313 -9.153 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.982 -6.962 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.703 -9.592 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.666 -8.128 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.882 -7.876 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.995 -8.823 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.913 -6.932 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.418 -6.483 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.044 -4.700 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.759 -5.825 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.276 -4.617 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.462 -6.270 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.707 -5.180 -10.463 1.00 0.00 H new ATOM 277 N LYS A 19 -16.314 -9.823 -3.725 1.00 0.00 N ATOM 278 CA LYS A 19 -16.906 -10.457 -2.558 1.00 0.00 C ATOM 279 C LYS A 19 -16.384 -9.764 -1.307 1.00 0.00 C ATOM 280 O LYS A 19 -15.446 -10.231 -0.655 1.00 0.00 O ATOM 281 CB LYS A 19 -16.603 -11.956 -2.534 1.00 0.00 C ATOM 282 CG LYS A 19 -15.152 -12.299 -2.815 1.00 0.00 C ATOM 283 CD LYS A 19 -14.874 -13.771 -2.560 1.00 0.00 C ATOM 284 CE LYS A 19 -13.410 -14.114 -2.789 1.00 0.00 C ATOM 285 NZ LYS A 19 -13.190 -15.584 -2.869 1.00 0.00 N ATOM 0 H LYS A 19 -15.609 -10.387 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.991 -10.355 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.877 -12.356 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.232 -12.455 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.912 -12.055 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.503 -11.690 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.151 -14.022 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.497 -14.378 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.067 -13.645 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.809 -13.701 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.180 -15.776 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.493 -16.029 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.743 -15.975 -3.658 1.00 0.00 H new ATOM 299 N GLN A 20 -16.980 -8.614 -1.016 1.00 0.00 N ATOM 300 CA GLN A 20 -16.578 -7.784 0.114 1.00 0.00 C ATOM 301 C GLN A 20 -16.372 -8.595 1.387 1.00 0.00 C ATOM 302 O GLN A 20 -15.600 -8.194 2.260 1.00 0.00 O ATOM 303 CB GLN A 20 -17.624 -6.695 0.360 1.00 0.00 C ATOM 304 CG GLN A 20 -19.053 -7.218 0.376 1.00 0.00 C ATOM 305 CD GLN A 20 -20.081 -6.105 0.401 1.00 0.00 C ATOM 306 OE1 GLN A 20 -20.226 -5.400 1.399 1.00 0.00 O ATOM 307 NE2 GLN A 20 -20.801 -5.942 -0.703 1.00 0.00 N ATOM 0 H GLN A 20 -17.755 -8.230 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.620 -7.331 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.413 -6.208 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.533 -5.933 -0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.218 -7.840 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.193 -7.856 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.647 -6.550 -1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.508 -5.208 -0.747 1.00 0.00 H new ATOM 316 N GLY A 21 -17.047 -9.730 1.500 1.00 0.00 N ATOM 317 CA GLY A 21 -16.884 -10.543 2.687 1.00 0.00 C ATOM 318 C GLY A 21 -15.502 -11.153 2.770 1.00 0.00 C ATOM 319 O GLY A 21 -14.960 -11.334 3.859 1.00 0.00 O ATOM 0 H GLY A 21 -17.695 -10.098 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.065 -9.933 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.631 -11.336 2.689 1.00 0.00 H new ATOM 323 N GLU A 22 -14.916 -11.444 1.614 1.00 0.00 N ATOM 324 CA GLU A 22 -13.579 -12.018 1.569 1.00 0.00 C ATOM 325 C GLU A 22 -12.549 -10.989 2.013 1.00 0.00 C ATOM 326 O GLU A 22 -11.630 -11.298 2.771 1.00 0.00 O ATOM 327 CB GLU A 22 -13.258 -12.518 0.158 1.00 0.00 C ATOM 328 CG GLU A 22 -12.595 -11.498 -0.736 1.00 0.00 C ATOM 329 CD GLU A 22 -11.089 -11.474 -0.567 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.416 -12.379 -1.107 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.581 -10.553 0.104 1.00 0.00 O ATOM 0 H GLU A 22 -15.344 -11.292 0.701 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.542 -12.866 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.609 -13.390 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.183 -12.849 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.838 -11.718 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.998 -10.509 -0.516 1.00 0.00 H new ATOM 338 N ALA A 23 -12.720 -9.763 1.533 1.00 0.00 N ATOM 339 CA ALA A 23 -11.815 -8.672 1.876 1.00 0.00 C ATOM 340 C ALA A 23 -11.577 -8.636 3.384 1.00 0.00 C ATOM 341 O ALA A 23 -10.463 -8.386 3.843 1.00 0.00 O ATOM 342 CB ALA A 23 -12.373 -7.340 1.386 1.00 0.00 C ATOM 0 H ALA A 23 -13.478 -9.499 0.904 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.860 -8.843 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.684 -6.538 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.493 -7.372 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.341 -7.157 1.853 1.00 0.00 H new ATOM 348 N LEU A 24 -12.635 -8.908 4.147 1.00 0.00 N ATOM 349 CA LEU A 24 -12.546 -8.929 5.603 1.00 0.00 C ATOM 350 C LEU A 24 -11.803 -10.173 6.079 1.00 0.00 C ATOM 351 O LEU A 24 -11.124 -10.154 7.105 1.00 0.00 O ATOM 352 CB LEU A 24 -13.945 -8.883 6.223 1.00 0.00 C ATOM 353 CG LEU A 24 -14.060 -8.049 7.501 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.293 -8.705 8.639 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.554 -6.634 7.258 1.00 0.00 C ATOM 0 H LEU A 24 -13.563 -9.117 3.779 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.989 -8.049 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.640 -8.485 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.262 -9.902 6.443 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.111 -7.995 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.387 -8.097 9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.701 -9.698 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.241 -8.791 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.642 -6.053 8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.509 -6.669 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.148 -6.165 6.474 1.00 0.00 H new ATOM 367 N ALA A 25 -11.947 -11.259 5.326 1.00 0.00 N ATOM 368 CA ALA A 25 -11.300 -12.520 5.663 1.00 0.00 C ATOM 369 C ALA A 25 -9.820 -12.487 5.310 1.00 0.00 C ATOM 370 O ALA A 25 -8.968 -12.769 6.151 1.00 0.00 O ATOM 371 CB ALA A 25 -11.990 -13.671 4.947 1.00 0.00 C ATOM 0 H ALA A 25 -12.509 -11.290 4.475 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.386 -12.670 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.498 -14.608 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.036 -13.714 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.932 -13.517 3.870 1.00 0.00 H new ATOM 377 N VAL A 26 -9.514 -12.136 4.062 1.00 0.00 N ATOM 378 CA VAL A 26 -8.127 -12.066 3.619 1.00 0.00 C ATOM 379 C VAL A 26 -7.294 -11.248 4.591 1.00 0.00 C ATOM 380 O VAL A 26 -6.221 -11.669 4.989 1.00 0.00 O ATOM 381 CB VAL A 26 -7.994 -11.470 2.206 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.826 -12.263 1.212 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.388 -10.001 2.198 1.00 0.00 C ATOM 0 H VAL A 26 -10.202 -11.898 3.347 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.757 -13.091 3.589 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.949 -11.536 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.719 -11.827 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.482 -13.297 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.874 -12.234 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.286 -9.602 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.423 -9.900 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.738 -9.446 2.875 1.00 0.00 H new ATOM 393 N GLN A 27 -7.801 -10.087 4.988 1.00 0.00 N ATOM 394 CA GLN A 27 -7.081 -9.243 5.933 1.00 0.00 C ATOM 395 C GLN A 27 -6.735 -10.041 7.184 1.00 0.00 C ATOM 396 O GLN A 27 -5.670 -9.871 7.775 1.00 0.00 O ATOM 397 CB GLN A 27 -7.912 -8.004 6.292 1.00 0.00 C ATOM 398 CG GLN A 27 -9.142 -8.290 7.140 1.00 0.00 C ATOM 399 CD GLN A 27 -9.426 -7.187 8.141 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.575 -7.441 9.336 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.502 -5.952 7.657 1.00 0.00 N ATOM 0 H GLN A 27 -8.696 -9.712 4.675 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.155 -8.905 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.275 -7.298 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.228 -7.515 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.007 -8.417 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.002 -9.231 7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.372 -5.786 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.690 -5.169 8.283 1.00 0.00 H new ATOM 410 N GLU A 28 -7.652 -10.920 7.564 1.00 0.00 N ATOM 411 CA GLU A 28 -7.483 -11.777 8.731 1.00 0.00 C ATOM 412 C GLU A 28 -6.458 -12.880 8.470 1.00 0.00 C ATOM 413 O GLU A 28 -5.583 -13.141 9.295 1.00 0.00 O ATOM 414 CB GLU A 28 -8.831 -12.395 9.115 1.00 0.00 C ATOM 415 CG GLU A 28 -9.477 -11.744 10.326 1.00 0.00 C ATOM 416 CD GLU A 28 -9.736 -12.727 11.450 1.00 0.00 C ATOM 417 OE1 GLU A 28 -10.787 -13.403 11.420 1.00 0.00 O ATOM 418 OE2 GLU A 28 -8.888 -12.821 12.363 1.00 0.00 O ATOM 0 H GLU A 28 -8.535 -11.060 7.072 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.112 -11.164 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.511 -12.319 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.690 -13.457 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.833 -10.944 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.419 -11.284 10.027 1.00 0.00 H new ATOM 425 N ARG A 29 -6.597 -13.539 7.323 1.00 0.00 N ATOM 426 CA ARG A 29 -5.714 -14.641 6.941 1.00 0.00 C ATOM 427 C ARG A 29 -4.369 -14.143 6.401 1.00 0.00 C ATOM 428 O ARG A 29 -3.379 -14.873 6.415 1.00 0.00 O ATOM 429 CB ARG A 29 -6.430 -15.527 5.906 1.00 0.00 C ATOM 430 CG ARG A 29 -5.575 -15.945 4.716 1.00 0.00 C ATOM 431 CD ARG A 29 -6.152 -17.165 4.014 1.00 0.00 C ATOM 432 NE ARG A 29 -6.735 -16.829 2.718 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.595 -17.610 2.068 1.00 0.00 C ATOM 434 NH1 ARG A 29 -7.974 -18.771 2.590 1.00 0.00 N ATOM 435 NH2 ARG A 29 -8.078 -17.232 0.892 1.00 0.00 N ATOM 0 H ARG A 29 -7.320 -13.327 6.635 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.491 -15.228 7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.793 -16.425 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.305 -14.993 5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.504 -15.118 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.562 -16.164 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.367 -17.908 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.914 -17.620 4.647 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.468 -15.945 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.606 -19.068 3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.633 -19.365 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.791 -16.342 0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.737 -17.831 0.395 1.00 0.00 H new ATOM 449 N LEU A 30 -4.342 -12.911 5.910 1.00 0.00 N ATOM 450 CA LEU A 30 -3.129 -12.332 5.350 1.00 0.00 C ATOM 451 C LEU A 30 -1.961 -12.437 6.329 1.00 0.00 C ATOM 452 O LEU A 30 -0.864 -12.854 5.958 1.00 0.00 O ATOM 453 CB LEU A 30 -3.384 -10.872 4.967 1.00 0.00 C ATOM 454 CG LEU A 30 -2.400 -10.279 3.962 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.980 -10.333 4.507 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.494 -11.003 2.625 1.00 0.00 C ATOM 0 H LEU A 30 -5.151 -12.291 5.889 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.858 -12.894 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.390 -10.792 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.361 -10.267 5.873 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.663 -9.234 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.293 -9.906 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.924 -9.763 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.704 -11.369 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.784 -10.565 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.261 -12.058 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.504 -10.905 2.228 1.00 0.00 H new ATOM 468 N LYS A 31 -2.204 -12.060 7.579 1.00 0.00 N ATOM 469 CA LYS A 31 -1.173 -12.119 8.610 1.00 0.00 C ATOM 470 C LYS A 31 -0.873 -13.561 9.016 1.00 0.00 C ATOM 471 O LYS A 31 0.081 -13.819 9.748 1.00 0.00 O ATOM 472 CB LYS A 31 -1.613 -11.325 9.839 1.00 0.00 C ATOM 473 CG LYS A 31 -2.991 -11.714 10.346 1.00 0.00 C ATOM 474 CD LYS A 31 -4.024 -10.638 10.048 1.00 0.00 C ATOM 475 CE LYS A 31 -4.757 -10.201 11.306 1.00 0.00 C ATOM 476 NZ LYS A 31 -5.339 -8.836 11.166 1.00 0.00 N ATOM 0 H LYS A 31 -3.105 -11.710 7.904 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.264 -11.682 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.885 -11.472 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.610 -10.262 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.298 -12.652 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.947 -11.889 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.533 -9.777 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.743 -11.015 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.552 -10.913 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.069 -10.217 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.587 -8.466 12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.643 -8.206 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.194 -8.882 10.575 1.00 0.00 H new ATOM 490 N ALA A 32 -1.693 -14.496 8.544 1.00 0.00 N ATOM 491 CA ALA A 32 -1.512 -15.902 8.871 1.00 0.00 C ATOM 492 C ALA A 32 -0.128 -16.392 8.464 1.00 0.00 C ATOM 493 O ALA A 32 0.377 -17.378 9.002 1.00 0.00 O ATOM 494 CB ALA A 32 -2.585 -16.741 8.192 1.00 0.00 C ATOM 0 H ALA A 32 -2.488 -14.303 7.935 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.603 -16.010 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.439 -17.791 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.569 -16.419 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.516 -16.614 7.112 1.00 0.00 H new ATOM 500 N GLY A 33 0.477 -15.701 7.507 1.00 0.00 N ATOM 501 CA GLY A 33 1.786 -16.079 7.034 1.00 0.00 C ATOM 502 C GLY A 33 1.915 -15.953 5.528 1.00 0.00 C ATOM 503 O GLY A 33 3.019 -16.012 4.987 1.00 0.00 O ATOM 0 H GLY A 33 0.078 -14.881 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.538 -15.452 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.993 -17.108 7.329 1.00 0.00 H new ATOM 507 N GLU A 34 0.783 -15.777 4.849 1.00 0.00 N ATOM 508 CA GLU A 34 0.784 -15.642 3.397 1.00 0.00 C ATOM 509 C GLU A 34 1.286 -14.263 2.987 1.00 0.00 C ATOM 510 O GLU A 34 1.174 -13.300 3.746 1.00 0.00 O ATOM 511 CB GLU A 34 -0.620 -15.878 2.836 1.00 0.00 C ATOM 512 CG GLU A 34 -1.695 -15.035 3.502 1.00 0.00 C ATOM 513 CD GLU A 34 -3.020 -15.099 2.770 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.318 -16.153 2.169 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.763 -14.095 2.796 1.00 0.00 O ATOM 0 H GLU A 34 -0.140 -15.725 5.279 1.00 0.00 H new ATOM 0 HA GLU A 34 1.457 -16.394 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.615 -15.665 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.875 -16.932 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.834 -15.374 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.361 -13.999 3.551 1.00 0.00 H new ATOM 522 N LYS A 35 1.839 -14.176 1.785 1.00 0.00 N ATOM 523 CA LYS A 35 2.360 -12.914 1.277 1.00 0.00 C ATOM 524 C LYS A 35 1.268 -12.116 0.575 1.00 0.00 C ATOM 525 O LYS A 35 0.543 -12.644 -0.269 1.00 0.00 O ATOM 526 CB LYS A 35 3.527 -13.163 0.320 1.00 0.00 C ATOM 527 CG LYS A 35 4.672 -12.179 0.491 1.00 0.00 C ATOM 528 CD LYS A 35 5.886 -12.589 -0.328 1.00 0.00 C ATOM 529 CE LYS A 35 7.175 -12.081 0.296 1.00 0.00 C ATOM 530 NZ LYS A 35 7.377 -10.627 0.048 1.00 0.00 N ATOM 0 H LYS A 35 1.938 -14.963 1.144 1.00 0.00 H new ATOM 0 HA LYS A 35 2.718 -12.332 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.902 -14.175 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.163 -13.110 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.346 -11.184 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.946 -12.118 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.922 -13.675 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.792 -12.198 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.156 -12.267 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.019 -12.639 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.267 -10.320 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.421 -10.452 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.585 -10.092 0.457 1.00 0.00 H new ATOM 544 N PHE A 36 1.158 -10.840 0.928 1.00 0.00 N ATOM 545 CA PHE A 36 0.159 -9.960 0.334 1.00 0.00 C ATOM 546 C PHE A 36 0.172 -10.066 -1.185 1.00 0.00 C ATOM 547 O PHE A 36 -0.869 -10.243 -1.817 1.00 0.00 O ATOM 548 CB PHE A 36 0.420 -8.515 0.748 1.00 0.00 C ATOM 549 CG PHE A 36 -0.819 -7.672 0.803 1.00 0.00 C ATOM 550 CD1 PHE A 36 -1.722 -7.821 1.839 1.00 0.00 C ATOM 551 CD2 PHE A 36 -1.075 -6.730 -0.174 1.00 0.00 C ATOM 552 CE1 PHE A 36 -2.860 -7.042 1.902 1.00 0.00 C ATOM 553 CE2 PHE A 36 -2.212 -5.947 -0.119 1.00 0.00 C ATOM 554 CZ PHE A 36 -3.106 -6.103 0.922 1.00 0.00 C ATOM 0 H PHE A 36 1.751 -10.391 1.626 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.821 -10.270 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.898 -8.507 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.123 -8.066 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.535 -8.556 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.379 -6.604 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.557 -7.168 2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.401 -5.214 -0.889 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.995 -5.492 0.969 1.00 0.00 H new ATOM 564 N GLY A 37 1.362 -9.960 -1.764 1.00 0.00 N ATOM 565 CA GLY A 37 1.497 -10.050 -3.204 1.00 0.00 C ATOM 566 C GLY A 37 0.889 -11.325 -3.754 1.00 0.00 C ATOM 567 O GLY A 37 0.339 -11.334 -4.855 1.00 0.00 O ATOM 0 H GLY A 37 2.237 -9.813 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.015 -9.189 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.553 -10.007 -3.472 1.00 0.00 H new ATOM 571 N LYS A 38 0.983 -12.402 -2.979 1.00 0.00 N ATOM 572 CA LYS A 38 0.430 -13.689 -3.385 1.00 0.00 C ATOM 573 C LYS A 38 -1.062 -13.559 -3.670 1.00 0.00 C ATOM 574 O LYS A 38 -1.534 -13.920 -4.747 1.00 0.00 O ATOM 575 CB LYS A 38 0.667 -14.736 -2.296 1.00 0.00 C ATOM 576 CG LYS A 38 0.377 -16.159 -2.745 1.00 0.00 C ATOM 577 CD LYS A 38 1.641 -16.867 -3.204 1.00 0.00 C ATOM 578 CE LYS A 38 2.473 -17.340 -2.022 1.00 0.00 C ATOM 579 NZ LYS A 38 3.869 -17.671 -2.422 1.00 0.00 N ATOM 0 H LYS A 38 1.437 -12.408 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 38 0.934 -14.010 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.703 -14.673 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.041 -14.501 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.075 -16.716 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.349 -16.144 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.376 -17.720 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.234 -16.192 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.489 -16.565 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.005 -18.218 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.403 -17.989 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.856 -18.429 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.325 -16.827 -2.823 1.00 0.00 H new ATOM 593 N LEU A 39 -1.796 -13.025 -2.696 1.00 0.00 N ATOM 594 CA LEU A 39 -3.234 -12.828 -2.835 1.00 0.00 C ATOM 595 C LEU A 39 -3.542 -12.037 -4.102 1.00 0.00 C ATOM 596 O LEU A 39 -4.596 -12.207 -4.714 1.00 0.00 O ATOM 597 CB LEU A 39 -3.802 -12.077 -1.624 1.00 0.00 C ATOM 598 CG LEU A 39 -3.756 -12.824 -0.280 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.356 -14.213 -0.407 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.334 -12.909 0.256 1.00 0.00 C ATOM 0 H LEU A 39 -1.415 -12.721 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.700 -13.811 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.256 -11.140 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.839 -11.818 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.354 -12.254 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.310 -14.719 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.395 -14.133 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.794 -14.786 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.335 -13.442 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.707 -13.442 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.940 -11.903 0.405 1.00 0.00 H new ATOM 612 N ALA A 40 -2.608 -11.173 -4.496 1.00 0.00 N ATOM 613 CA ALA A 40 -2.778 -10.351 -5.688 1.00 0.00 C ATOM 614 C ALA A 40 -3.160 -11.212 -6.886 1.00 0.00 C ATOM 615 O ALA A 40 -4.167 -10.968 -7.548 1.00 0.00 O ATOM 616 CB ALA A 40 -1.500 -9.581 -5.975 1.00 0.00 C ATOM 0 H ALA A 40 -1.726 -11.026 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.585 -9.641 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.636 -8.970 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.264 -8.938 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.681 -10.282 -6.137 1.00 0.00 H new ATOM 622 N LYS A 41 -2.356 -12.227 -7.144 1.00 0.00 N ATOM 623 CA LYS A 41 -2.606 -13.146 -8.244 1.00 0.00 C ATOM 624 C LYS A 41 -3.554 -14.263 -7.813 1.00 0.00 C ATOM 625 O LYS A 41 -4.197 -14.901 -8.645 1.00 0.00 O ATOM 626 CB LYS A 41 -1.291 -13.741 -8.750 1.00 0.00 C ATOM 627 CG LYS A 41 -0.494 -14.458 -7.671 1.00 0.00 C ATOM 628 CD LYS A 41 0.071 -15.776 -8.176 1.00 0.00 C ATOM 629 CE LYS A 41 -0.965 -16.887 -8.111 1.00 0.00 C ATOM 630 NZ LYS A 41 -0.548 -18.081 -8.899 1.00 0.00 N ATOM 0 H LYS A 41 -1.517 -12.438 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.076 -12.587 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.505 -14.441 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.680 -12.944 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.321 -13.818 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.133 -14.642 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.414 -15.656 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.941 -16.053 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.124 -17.175 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.918 -16.517 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.281 -18.816 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.421 -17.812 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.349 -18.449 -8.523 1.00 0.00 H new ATOM 644 N GLU A 42 -3.599 -14.524 -6.507 1.00 0.00 N ATOM 645 CA GLU A 42 -4.426 -15.596 -5.965 1.00 0.00 C ATOM 646 C GLU A 42 -5.930 -15.296 -6.049 1.00 0.00 C ATOM 647 O GLU A 42 -6.644 -15.954 -6.806 1.00 0.00 O ATOM 648 CB GLU A 42 -4.009 -15.873 -4.520 1.00 0.00 C ATOM 649 CG GLU A 42 -3.400 -17.252 -4.318 1.00 0.00 C ATOM 650 CD GLU A 42 -4.017 -17.997 -3.151 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.234 -17.371 -2.093 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.282 -19.210 -3.295 1.00 0.00 O ATOM 0 H GLU A 42 -3.071 -14.005 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.261 -16.482 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.289 -15.117 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.880 -15.771 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.529 -17.839 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.327 -17.151 -4.153 1.00 0.00 H new ATOM 659 N LEU A 43 -6.421 -14.320 -5.280 1.00 0.00 N ATOM 660 CA LEU A 43 -7.853 -13.994 -5.314 1.00 0.00 C ATOM 661 C LEU A 43 -8.122 -12.556 -5.757 1.00 0.00 C ATOM 662 O LEU A 43 -9.266 -12.200 -6.041 1.00 0.00 O ATOM 663 CB LEU A 43 -8.531 -14.253 -3.961 1.00 0.00 C ATOM 664 CG LEU A 43 -7.693 -13.962 -2.714 1.00 0.00 C ATOM 665 CD1 LEU A 43 -6.627 -15.028 -2.528 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.069 -12.576 -2.788 1.00 0.00 C ATOM 0 H LEU A 43 -5.865 -13.753 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.286 -14.661 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.438 -13.650 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.841 -15.297 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.353 -13.984 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.041 -14.805 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.103 -16.002 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.972 -15.043 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.479 -12.394 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.424 -12.514 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.856 -11.826 -2.863 1.00 0.00 H new ATOM 678 N SER A 44 -7.086 -11.725 -5.809 1.00 0.00 N ATOM 679 CA SER A 44 -7.264 -10.334 -6.212 1.00 0.00 C ATOM 680 C SER A 44 -7.744 -10.235 -7.655 1.00 0.00 C ATOM 681 O SER A 44 -7.151 -10.821 -8.560 1.00 0.00 O ATOM 682 CB SER A 44 -5.955 -9.567 -6.061 1.00 0.00 C ATOM 683 OG SER A 44 -6.149 -8.343 -5.376 1.00 0.00 O ATOM 0 H SER A 44 -6.127 -11.985 -5.581 1.00 0.00 H new ATOM 0 HA SER A 44 -8.021 -9.896 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.234 -10.179 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.531 -9.371 -7.046 1.00 0.00 H new ATOM 0 HG SER A 44 -5.907 -7.597 -5.964 1.00 0.00 H new ATOM 689 N ILE A 45 -8.816 -9.479 -7.856 1.00 0.00 N ATOM 690 CA ILE A 45 -9.375 -9.285 -9.186 1.00 0.00 C ATOM 691 C ILE A 45 -8.802 -8.035 -9.847 1.00 0.00 C ATOM 692 O ILE A 45 -9.068 -7.763 -11.019 1.00 0.00 O ATOM 693 CB ILE A 45 -10.910 -9.167 -9.143 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.336 -8.176 -8.056 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.540 -10.530 -8.902 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.291 -7.110 -8.542 1.00 0.00 C ATOM 0 H ILE A 45 -9.316 -8.990 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.102 -10.163 -9.771 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.259 -8.794 -10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.805 -8.726 -7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.447 -7.695 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.625 -10.430 -8.874 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.259 -11.208 -9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.188 -10.930 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.547 -6.447 -7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.819 -6.534 -9.337 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.197 -7.580 -8.924 1.00 0.00 H new ATOM 745 N ALA A 50 -2.376 -6.069 -10.615 1.00 0.00 N ATOM 746 CA ALA A 50 -2.283 -7.263 -9.780 1.00 0.00 C ATOM 747 C ALA A 50 -1.154 -8.176 -10.243 1.00 0.00 C ATOM 748 O ALA A 50 -0.652 -8.998 -9.477 1.00 0.00 O ATOM 749 CB ALA A 50 -3.606 -8.016 -9.773 1.00 0.00 C ATOM 0 HA ALA A 50 -2.059 -6.941 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.517 -8.903 -9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.390 -7.370 -9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.860 -8.315 -10.790 1.00 0.00 H new ATOM 755 N LYS A 51 -0.764 -8.033 -11.507 1.00 0.00 N ATOM 756 CA LYS A 51 0.298 -8.852 -12.080 1.00 0.00 C ATOM 757 C LYS A 51 1.652 -8.518 -11.456 1.00 0.00 C ATOM 758 O LYS A 51 2.612 -9.275 -11.599 1.00 0.00 O ATOM 759 CB LYS A 51 0.347 -8.658 -13.596 1.00 0.00 C ATOM 760 CG LYS A 51 -0.097 -9.884 -14.376 1.00 0.00 C ATOM 761 CD LYS A 51 -0.955 -9.505 -15.574 1.00 0.00 C ATOM 762 CE LYS A 51 -0.214 -8.577 -16.523 1.00 0.00 C ATOM 763 NZ LYS A 51 -0.964 -8.363 -17.791 1.00 0.00 N ATOM 0 H LYS A 51 -1.169 -7.356 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 51 0.079 -9.897 -11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.288 -7.814 -13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.364 -8.399 -13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.779 -10.437 -14.715 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.660 -10.549 -13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.255 -10.407 -16.107 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.868 -9.020 -15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.046 -7.617 -16.034 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.767 -8.996 -16.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.425 -7.725 -18.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.102 -9.275 -18.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.890 -7.939 -17.579 1.00 0.00 H new ATOM 777 N ARG A 52 1.722 -7.393 -10.749 1.00 0.00 N ATOM 778 CA ARG A 52 2.956 -6.978 -10.090 1.00 0.00 C ATOM 779 C ARG A 52 2.863 -7.219 -8.586 1.00 0.00 C ATOM 780 O ARG A 52 3.537 -6.556 -7.801 1.00 0.00 O ATOM 781 CB ARG A 52 3.272 -5.503 -10.371 1.00 0.00 C ATOM 782 CG ARG A 52 2.047 -4.614 -10.512 1.00 0.00 C ATOM 783 CD ARG A 52 2.411 -3.253 -11.083 1.00 0.00 C ATOM 784 NE ARG A 52 2.725 -3.326 -12.509 1.00 0.00 N ATOM 785 CZ ARG A 52 3.422 -2.399 -13.162 1.00 0.00 C ATOM 786 NH1 ARG A 52 3.877 -1.326 -12.525 1.00 0.00 N ATOM 787 NH2 ARG A 52 3.666 -2.543 -14.457 1.00 0.00 N ATOM 0 H ARG A 52 0.939 -6.753 -10.618 1.00 0.00 H new ATOM 0 HA ARG A 52 3.769 -7.580 -10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.895 -5.117 -9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.860 -5.438 -11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.317 -5.099 -11.160 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.574 -4.487 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.583 -2.561 -10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.268 -2.850 -10.543 1.00 0.00 H new ATOM 0 HE ARG A 52 2.391 -4.134 -13.034 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.693 -1.208 -11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.410 -0.620 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.320 -3.364 -14.953 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.200 -1.833 -14.957 1.00 0.00 H new ATOM 801 N ASP A 53 2.008 -8.166 -8.201 1.00 0.00 N ATOM 802 CA ASP A 53 1.798 -8.510 -6.797 1.00 0.00 C ATOM 803 C ASP A 53 1.283 -7.308 -6.006 1.00 0.00 C ATOM 804 O ASP A 53 1.445 -7.235 -4.788 1.00 0.00 O ATOM 805 CB ASP A 53 3.086 -9.083 -6.176 1.00 0.00 C ATOM 806 CG ASP A 53 4.053 -8.023 -5.676 1.00 0.00 C ATOM 807 OD1 ASP A 53 3.808 -7.456 -4.592 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.064 -7.770 -6.364 1.00 0.00 O ATOM 0 H ASP A 53 1.444 -8.714 -8.851 1.00 0.00 H new ATOM 0 HA ASP A 53 1.032 -9.284 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.818 -9.737 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.592 -9.701 -6.918 1.00 0.00 H new ATOM 813 N GLY A 54 0.650 -6.374 -6.709 1.00 0.00 N ATOM 814 CA GLY A 54 0.107 -5.194 -6.062 1.00 0.00 C ATOM 815 C GLY A 54 1.168 -4.377 -5.349 1.00 0.00 C ATOM 816 O GLY A 54 0.854 -3.574 -4.473 1.00 0.00 O ATOM 0 H GLY A 54 0.503 -6.414 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.386 -4.570 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.656 -5.497 -5.345 1.00 0.00 H new ATOM 820 N SER A 55 2.424 -4.578 -5.729 1.00 0.00 N ATOM 821 CA SER A 55 3.531 -3.850 -5.122 1.00 0.00 C ATOM 822 C SER A 55 3.412 -2.359 -5.403 1.00 0.00 C ATOM 823 O SER A 55 4.017 -1.842 -6.342 1.00 0.00 O ATOM 824 CB SER A 55 4.868 -4.373 -5.644 1.00 0.00 C ATOM 825 OG SER A 55 5.300 -5.503 -4.905 1.00 0.00 O ATOM 0 H SER A 55 2.701 -5.239 -6.455 1.00 0.00 H new ATOM 0 HA SER A 55 3.488 -4.007 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.772 -4.639 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.619 -3.585 -5.582 1.00 0.00 H new ATOM 0 HG SER A 55 4.539 -5.891 -4.425 1.00 0.00 H new ATOM 831 N LEU A 56 2.626 -1.676 -4.584 1.00 0.00 N ATOM 832 CA LEU A 56 2.419 -0.243 -4.739 1.00 0.00 C ATOM 833 C LEU A 56 3.725 0.522 -4.528 1.00 0.00 C ATOM 834 O LEU A 56 3.889 1.635 -5.029 1.00 0.00 O ATOM 835 CB LEU A 56 1.349 0.240 -3.756 1.00 0.00 C ATOM 836 CG LEU A 56 -0.091 -0.124 -4.128 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.072 0.625 -3.243 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.365 0.168 -5.597 1.00 0.00 C ATOM 0 H LEU A 56 2.119 -2.092 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 56 2.077 -0.050 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.569 -0.175 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.422 1.324 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.224 -1.194 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.091 0.355 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.897 0.360 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.933 1.698 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.394 -0.099 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.211 1.229 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.315 -0.417 -6.217 1.00 0.00 H new ATOM 850 N GLY A 57 4.651 -0.084 -3.791 1.00 0.00 N ATOM 851 CA GLY A 57 5.933 0.551 -3.538 1.00 0.00 C ATOM 852 C GLY A 57 5.796 1.913 -2.882 1.00 0.00 C ATOM 853 O GLY A 57 4.760 2.224 -2.296 1.00 0.00 O ATOM 0 H GLY A 57 4.537 -1.003 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.534 -0.096 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.472 0.659 -4.479 1.00 0.00 H new ATOM 857 N TYR A 58 6.850 2.720 -2.971 1.00 0.00 N ATOM 858 CA TYR A 58 6.844 4.052 -2.364 1.00 0.00 C ATOM 859 C TYR A 58 5.856 4.983 -3.054 1.00 0.00 C ATOM 860 O TYR A 58 6.077 5.411 -4.187 1.00 0.00 O ATOM 861 CB TYR A 58 8.234 4.710 -2.394 1.00 0.00 C ATOM 862 CG TYR A 58 9.385 3.761 -2.667 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.794 3.492 -3.968 1.00 0.00 C ATOM 864 CD2 TYR A 58 10.059 3.139 -1.625 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.844 2.629 -4.220 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.109 2.276 -1.869 1.00 0.00 C ATOM 867 CZ TYR A 58 11.498 2.024 -3.169 1.00 0.00 C ATOM 868 OH TYR A 58 12.543 1.164 -3.415 1.00 0.00 O ATOM 0 H TYR A 58 7.715 2.479 -3.454 1.00 0.00 H new ATOM 0 HA TYR A 58 6.542 3.901 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.235 5.488 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.407 5.202 -1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.284 3.964 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.757 3.333 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.150 2.430 -5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.623 1.801 -1.047 1.00 0.00 H new ATOM 0 HH TYR A 58 12.894 0.825 -2.565 1.00 0.00 H new ATOM 878 N PHE A 59 4.798 5.335 -2.340 1.00 0.00 N ATOM 879 CA PHE A 59 3.807 6.267 -2.853 1.00 0.00 C ATOM 880 C PHE A 59 3.755 7.484 -1.948 1.00 0.00 C ATOM 881 O PHE A 59 4.128 7.412 -0.780 1.00 0.00 O ATOM 882 CB PHE A 59 2.420 5.631 -2.932 1.00 0.00 C ATOM 883 CG PHE A 59 2.192 4.758 -4.143 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.137 4.667 -5.157 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.018 4.030 -4.264 1.00 0.00 C ATOM 886 CE1 PHE A 59 2.912 3.867 -6.262 1.00 0.00 C ATOM 887 CE2 PHE A 59 0.791 3.230 -5.367 1.00 0.00 C ATOM 888 CZ PHE A 59 1.739 3.149 -6.367 1.00 0.00 C ATOM 0 H PHE A 59 4.604 4.988 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 59 4.100 6.554 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.258 5.033 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.671 6.423 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.057 5.227 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.271 4.089 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.655 3.804 -7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.128 2.668 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.563 2.524 -7.230 1.00 0.00 H new ATOM 898 N GLY A 60 3.296 8.595 -2.486 1.00 0.00 N ATOM 899 CA GLY A 60 3.216 9.811 -1.700 1.00 0.00 C ATOM 900 C GLY A 60 1.794 10.331 -1.580 1.00 0.00 C ATOM 901 O GLY A 60 0.850 9.678 -2.021 1.00 0.00 O ATOM 0 H GLY A 60 2.976 8.683 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.616 9.623 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.843 10.577 -2.156 1.00 0.00 H new ATOM 905 N ARG A 61 1.641 11.508 -0.982 1.00 0.00 N ATOM 906 CA ARG A 61 0.332 12.111 -0.805 1.00 0.00 C ATOM 907 C ARG A 61 -0.162 12.684 -2.119 1.00 0.00 C ATOM 908 O ARG A 61 -0.071 13.890 -2.360 1.00 0.00 O ATOM 909 CB ARG A 61 0.389 13.210 0.258 1.00 0.00 C ATOM 910 CG ARG A 61 0.902 12.727 1.606 1.00 0.00 C ATOM 911 CD ARG A 61 2.320 13.206 1.868 1.00 0.00 C ATOM 912 NE ARG A 61 2.701 13.043 3.269 1.00 0.00 N ATOM 913 CZ ARG A 61 2.311 13.861 4.243 1.00 0.00 C ATOM 914 NH1 ARG A 61 1.530 14.901 3.974 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.701 13.639 5.491 1.00 0.00 N ATOM 0 H ARG A 61 2.413 12.062 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.362 11.340 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.031 14.016 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.608 13.631 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.244 13.087 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.873 11.638 1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.013 12.650 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.406 14.256 1.588 1.00 0.00 H new ATOM 0 HE ARG A 61 3.301 12.256 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.226 15.076 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.234 15.525 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.300 12.841 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.402 14.266 6.238 1.00 0.00 H new ATOM 929 N GLY A 62 -0.684 11.814 -2.970 1.00 0.00 N ATOM 930 CA GLY A 62 -1.182 12.253 -4.252 1.00 0.00 C ATOM 931 C GLY A 62 -1.000 11.215 -5.345 1.00 0.00 C ATOM 932 O GLY A 62 -0.712 11.560 -6.491 1.00 0.00 O ATOM 0 H GLY A 62 -0.771 10.813 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.241 12.495 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.669 13.170 -4.540 1.00 0.00 H new ATOM 936 N LYS A 63 -1.165 9.942 -4.994 1.00 0.00 N ATOM 937 CA LYS A 63 -1.010 8.860 -5.960 1.00 0.00 C ATOM 938 C LYS A 63 -2.202 7.906 -5.924 1.00 0.00 C ATOM 939 O LYS A 63 -2.696 7.479 -6.969 1.00 0.00 O ATOM 940 CB LYS A 63 0.285 8.090 -5.685 1.00 0.00 C ATOM 941 CG LYS A 63 1.247 8.081 -6.863 1.00 0.00 C ATOM 942 CD LYS A 63 0.739 7.197 -7.990 1.00 0.00 C ATOM 943 CE LYS A 63 1.885 6.602 -8.792 1.00 0.00 C ATOM 944 NZ LYS A 63 1.593 6.589 -10.253 1.00 0.00 N ATOM 0 H LYS A 63 -1.405 9.636 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.963 9.303 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.784 8.531 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.038 7.062 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.384 9.098 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.224 7.727 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.128 6.395 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.096 7.780 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.793 7.176 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.077 5.585 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.399 6.176 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.741 6.020 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.435 7.562 -10.584 1.00 0.00 H new ATOM 958 N MET A 64 -2.654 7.565 -4.722 1.00 0.00 N ATOM 959 CA MET A 64 -3.781 6.651 -4.558 1.00 0.00 C ATOM 960 C MET A 64 -5.056 7.405 -4.189 1.00 0.00 C ATOM 961 O MET A 64 -5.012 8.582 -3.836 1.00 0.00 O ATOM 962 CB MET A 64 -3.469 5.605 -3.485 1.00 0.00 C ATOM 963 CG MET A 64 -2.017 5.153 -3.471 1.00 0.00 C ATOM 964 SD MET A 64 -0.996 6.140 -2.361 1.00 0.00 S ATOM 965 CE MET A 64 -0.929 5.074 -0.924 1.00 0.00 C ATOM 0 H MET A 64 -2.258 7.907 -3.846 1.00 0.00 H new ATOM 0 HA MET A 64 -3.942 6.149 -5.512 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.721 6.015 -2.507 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.109 4.736 -3.641 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.969 4.107 -3.169 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.612 5.213 -4.481 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.486 5.616 -0.089 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.938 4.759 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.323 4.197 -1.150 1.00 0.00 H new ATOM 975 N VAL A 65 -6.191 6.712 -4.268 1.00 0.00 N ATOM 976 CA VAL A 65 -7.478 7.313 -3.935 1.00 0.00 C ATOM 977 C VAL A 65 -7.463 7.862 -2.508 1.00 0.00 C ATOM 978 O VAL A 65 -6.615 7.487 -1.697 1.00 0.00 O ATOM 979 CB VAL A 65 -8.631 6.299 -4.096 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.760 5.855 -5.546 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.416 5.103 -3.187 1.00 0.00 C ATOM 0 H VAL A 65 -6.244 5.736 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.646 8.135 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.561 6.789 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.578 5.141 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.963 6.722 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.831 5.384 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.238 4.398 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.476 4.615 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.380 5.436 -2.150 1.00 0.00 H new ATOM 991 N LYS A 66 -8.388 8.770 -2.215 1.00 0.00 N ATOM 992 CA LYS A 66 -8.469 9.396 -0.897 1.00 0.00 C ATOM 993 C LYS A 66 -8.614 8.374 0.238 1.00 0.00 C ATOM 994 O LYS A 66 -7.906 8.459 1.242 1.00 0.00 O ATOM 995 CB LYS A 66 -9.637 10.383 -0.854 1.00 0.00 C ATOM 996 CG LYS A 66 -9.504 11.436 0.234 1.00 0.00 C ATOM 997 CD LYS A 66 -9.927 12.809 -0.265 1.00 0.00 C ATOM 998 CE LYS A 66 -8.840 13.453 -1.111 1.00 0.00 C ATOM 999 NZ LYS A 66 -9.006 13.142 -2.558 1.00 0.00 N ATOM 0 H LYS A 66 -9.096 9.091 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.528 9.923 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.718 10.880 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.564 9.830 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.116 11.155 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.471 11.476 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.841 12.718 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.157 13.451 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.860 14.533 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.864 13.105 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.840 14.002 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.322 12.410 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.972 12.797 -2.730 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.536 7.403 0.111 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.752 6.393 1.153 1.00 0.00 C ATOM 1015 C PRO A 67 -8.557 5.464 1.310 1.00 0.00 C ATOM 1016 O PRO A 67 -8.220 5.040 2.415 1.00 0.00 O ATOM 1017 CB PRO A 67 -10.972 5.609 0.667 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.079 5.884 -0.793 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.438 7.221 -1.039 1.00 0.00 C ATOM 0 HA PRO A 67 -9.895 6.853 2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.851 4.542 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.874 5.925 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.579 5.105 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.123 5.893 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.890 7.233 -1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.182 8.016 -1.092 1.00 0.00 H new ATOM 1027 N PHE A 68 -7.923 5.154 0.191 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.760 4.274 0.179 1.00 0.00 C ATOM 1029 C PHE A 68 -5.532 5.002 0.710 1.00 0.00 C ATOM 1030 O PHE A 68 -4.841 4.510 1.602 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.490 3.768 -1.239 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.434 2.702 -1.316 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.098 3.021 -1.141 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -5.779 1.384 -1.572 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.123 2.045 -1.217 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -4.809 0.404 -1.651 1.00 0.00 C ATOM 1037 CZ PHE A 68 -3.480 0.735 -1.473 1.00 0.00 C ATOM 0 H PHE A 68 -8.195 5.501 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.970 3.422 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.418 3.377 -1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.189 4.609 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.815 4.044 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.817 1.121 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.084 2.305 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.089 -0.620 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.720 -0.030 -1.534 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.272 6.183 0.156 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.133 6.988 0.570 1.00 0.00 C ATOM 1049 C GLU A 69 -4.161 7.234 2.073 1.00 0.00 C ATOM 1050 O GLU A 69 -3.119 7.335 2.720 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.142 8.317 -0.182 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.771 8.963 -0.302 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.739 10.376 0.247 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.608 11.183 -0.142 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.844 10.674 1.066 1.00 0.00 O ATOM 0 H GLU A 69 -5.838 6.602 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.218 6.446 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.546 8.156 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.815 9.007 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.040 8.354 0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.472 8.978 -1.350 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.368 7.325 2.624 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.542 7.553 4.053 1.00 0.00 C ATOM 1064 C ASP A 70 -5.029 6.364 4.860 1.00 0.00 C ATOM 1065 O ASP A 70 -4.214 6.521 5.768 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.017 7.803 4.375 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.363 9.279 4.404 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.771 10.043 3.612 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.224 9.670 5.218 1.00 0.00 O ATOM 0 H ASP A 70 -6.240 7.244 2.101 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.962 8.434 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.638 7.302 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.255 7.358 5.341 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.517 5.177 4.518 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.114 3.956 5.203 1.00 0.00 C ATOM 1076 C ALA A 71 -3.711 3.509 4.792 1.00 0.00 C ATOM 1077 O ALA A 71 -3.146 2.589 5.383 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.123 2.850 4.932 1.00 0.00 C ATOM 0 H ALA A 71 -6.194 5.035 3.768 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.088 4.167 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.814 1.941 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.105 3.156 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.175 2.659 3.860 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.157 4.154 3.771 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.828 3.809 3.281 1.00 0.00 C ATOM 1086 C ALA A 72 -0.743 4.184 4.287 1.00 0.00 C ATOM 1087 O ALA A 72 0.252 3.472 4.432 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.567 4.493 1.950 1.00 0.00 C ATOM 0 H ALA A 72 -3.607 4.918 3.267 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.794 2.728 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.572 4.228 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.311 4.169 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.631 5.574 2.078 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.929 5.308 4.971 1.00 0.00 N ATOM 1095 CA PHE A 73 0.047 5.777 5.948 1.00 0.00 C ATOM 1096 C PHE A 73 -0.451 5.593 7.380 1.00 0.00 C ATOM 1097 O PHE A 73 0.088 6.198 8.309 1.00 0.00 O ATOM 1098 CB PHE A 73 0.378 7.251 5.701 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.834 8.114 5.504 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.739 8.305 6.535 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.068 8.735 4.288 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.855 9.100 6.357 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.183 9.530 4.104 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.077 9.713 5.138 1.00 0.00 C ATOM 0 H PHE A 73 -1.746 5.910 4.867 1.00 0.00 H new ATOM 0 HA PHE A 73 0.947 5.175 5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.952 7.632 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.016 7.329 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.570 7.827 7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.371 8.596 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.553 9.242 7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.354 10.008 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.949 10.334 4.996 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.472 4.762 7.566 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.015 4.522 8.897 1.00 0.00 C ATOM 1116 C ARG A 74 -1.482 3.214 9.474 1.00 0.00 C ATOM 1117 O ARG A 74 -1.372 3.061 10.691 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.550 4.513 8.861 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.162 3.189 8.420 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.672 3.188 8.597 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.140 1.999 9.306 1.00 0.00 N ATOM 1122 CZ ARG A 74 -6.024 1.828 10.622 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -5.450 2.759 11.374 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -6.481 0.718 11.188 1.00 0.00 N ATOM 0 H ARG A 74 -1.936 4.247 6.818 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.692 5.335 9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.926 4.760 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.890 5.299 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.917 3.004 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.726 2.375 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.973 4.080 9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.152 3.239 7.619 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.581 1.257 8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.094 3.613 10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.365 2.620 12.381 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.920 -0.003 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.393 0.586 12.196 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.152 2.275 8.593 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.632 0.983 9.020 1.00 0.00 C ATOM 1140 C LEU A 75 0.874 0.900 8.814 1.00 0.00 C ATOM 1141 O LEU A 75 1.365 0.074 8.042 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.323 -0.150 8.263 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.771 -0.441 8.667 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.072 -1.909 8.456 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.036 -0.055 10.118 1.00 0.00 C ATOM 0 H LEU A 75 -1.235 2.385 7.582 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.840 0.878 10.085 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.304 0.086 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.739 -1.060 8.398 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.427 0.162 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.103 -2.114 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.932 -2.162 7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.398 -2.510 9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.073 -0.276 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.375 -0.624 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.849 1.011 10.251 1.00 0.00 H new ATOM 1157 N GLN A 76 1.604 1.748 9.522 1.00 0.00 N ATOM 1158 CA GLN A 76 3.056 1.758 9.435 1.00 0.00 C ATOM 1159 C GLN A 76 3.629 0.509 10.101 1.00 0.00 C ATOM 1160 O GLN A 76 4.774 0.129 9.856 1.00 0.00 O ATOM 1161 CB GLN A 76 3.618 3.019 10.094 1.00 0.00 C ATOM 1162 CG GLN A 76 3.653 4.223 9.167 1.00 0.00 C ATOM 1163 CD GLN A 76 4.871 5.099 9.397 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.971 4.782 8.946 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.677 6.208 10.101 1.00 0.00 N ATOM 0 H GLN A 76 1.214 2.439 10.164 1.00 0.00 H new ATOM 0 HA GLN A 76 3.346 1.759 8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.015 3.262 10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.628 2.814 10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.646 3.881 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.750 4.816 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.747 6.431 10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.458 6.837 10.287 1.00 0.00 H new ATOM 1174 N VAL A 77 2.810 -0.128 10.934 1.00 0.00 N ATOM 1175 CA VAL A 77 3.208 -1.343 11.632 1.00 0.00 C ATOM 1176 C VAL A 77 3.438 -2.479 10.641 1.00 0.00 C ATOM 1177 O VAL A 77 4.205 -3.404 10.905 1.00 0.00 O ATOM 1178 CB VAL A 77 2.135 -1.772 12.661 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.748 -1.709 12.043 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.416 -3.168 13.207 1.00 0.00 C ATOM 0 H VAL A 77 1.861 0.182 11.142 1.00 0.00 H new ATOM 0 HA VAL A 77 4.137 -1.129 12.160 1.00 0.00 H new ATOM 0 HB VAL A 77 2.176 -1.073 13.497 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.006 -2.014 12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.540 -0.689 11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.702 -2.379 11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.644 -3.439 13.927 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.416 -3.886 12.387 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.389 -3.178 13.698 1.00 0.00 H new ATOM 1190 N GLY A 78 2.757 -2.408 9.502 1.00 0.00 N ATOM 1191 CA GLY A 78 2.891 -3.440 8.496 1.00 0.00 C ATOM 1192 C GLY A 78 1.815 -4.481 8.620 1.00 0.00 C ATOM 1193 O GLY A 78 2.097 -5.663 8.807 1.00 0.00 O ATOM 0 H GLY A 78 2.115 -1.653 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.848 -2.989 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.868 -3.914 8.589 1.00 0.00 H new ATOM 1197 N GLU A 79 0.577 -4.036 8.544 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.552 -4.933 8.678 1.00 0.00 C ATOM 1199 C GLU A 79 -1.636 -4.600 7.673 1.00 0.00 C ATOM 1200 O GLU A 79 -1.534 -3.616 6.940 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.100 -4.811 10.088 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.828 -6.045 10.584 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.308 -5.803 10.808 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.651 -4.811 11.486 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.125 -6.604 10.306 1.00 0.00 O ATOM 0 H GLU A 79 0.328 -3.059 8.390 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.222 -5.954 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.276 -4.592 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.781 -3.961 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.702 -6.851 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.374 -6.379 11.517 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.682 -5.411 7.650 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.783 -5.169 6.741 1.00 0.00 C ATOM 1214 C VAL A 80 -4.714 -4.113 7.323 1.00 0.00 C ATOM 1215 O VAL A 80 -4.880 -4.029 8.539 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.584 -6.450 6.431 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.656 -6.165 5.391 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.662 -7.568 5.960 1.00 0.00 C ATOM 0 H VAL A 80 -2.789 -6.233 8.245 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.354 -4.816 5.803 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.070 -6.780 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.213 -7.079 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.337 -5.403 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.187 -5.809 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.251 -8.460 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.141 -7.253 5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.933 -7.791 6.739 1.00 0.00 H new ATOM 1228 N SER A 81 -5.302 -3.295 6.457 1.00 0.00 N ATOM 1229 CA SER A 81 -6.190 -2.230 6.909 1.00 0.00 C ATOM 1230 C SER A 81 -7.652 -2.572 6.648 1.00 0.00 C ATOM 1231 O SER A 81 -7.966 -3.487 5.887 1.00 0.00 O ATOM 1232 CB SER A 81 -5.833 -0.916 6.211 1.00 0.00 C ATOM 1233 OG SER A 81 -6.032 0.191 7.074 1.00 0.00 O ATOM 0 H SER A 81 -5.181 -3.348 5.446 1.00 0.00 H new ATOM 0 HA SER A 81 -6.056 -2.120 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.793 -0.945 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.444 -0.798 5.316 1.00 0.00 H new ATOM 0 HG SER A 81 -6.886 0.623 6.861 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.538 -1.833 7.309 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.975 -2.045 7.187 1.00 0.00 C ATOM 1241 C GLU A 82 -10.424 -2.092 5.727 1.00 0.00 C ATOM 1242 O GLU A 82 -9.793 -1.508 4.842 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.731 -0.941 7.925 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.332 -0.802 9.386 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.345 0.327 9.615 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.254 0.294 9.008 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.664 1.244 10.400 1.00 0.00 O ATOM 0 H GLU A 82 -8.281 -1.075 7.941 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.203 -3.012 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.558 0.008 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.801 -1.143 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.224 -0.628 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.893 -1.739 9.730 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.536 -2.788 5.456 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.075 -2.904 4.105 1.00 0.00 C ATOM 1256 C PRO A 83 -12.412 -1.543 3.512 1.00 0.00 C ATOM 1257 O PRO A 83 -13.403 -0.917 3.885 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.348 -3.743 4.286 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.676 -3.645 5.736 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.360 -3.507 6.443 1.00 0.00 C ATOM 0 HA PRO A 83 -11.359 -3.353 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.163 -3.361 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.183 -4.779 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.319 -2.787 5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.212 -4.531 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.457 -2.948 7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.933 -4.477 6.697 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.574 -1.092 2.587 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.776 0.199 1.941 1.00 0.00 C ATOM 1270 C VAL A 84 -12.384 0.021 0.556 1.00 0.00 C ATOM 1271 O VAL A 84 -11.789 -0.608 -0.317 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.450 0.970 1.785 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.680 2.292 1.074 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.791 1.199 3.133 1.00 0.00 C ATOM 0 H VAL A 84 -10.749 -1.600 2.268 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.452 0.766 2.581 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.778 0.363 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.732 2.821 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.098 2.105 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.375 2.900 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.858 1.745 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.459 1.778 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.583 0.238 3.604 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.568 0.585 0.360 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.248 0.487 -0.924 1.00 0.00 C ATOM 1286 C LYS A 85 -14.130 1.789 -1.705 1.00 0.00 C ATOM 1287 O LYS A 85 -14.701 2.810 -1.321 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.724 0.146 -0.717 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.401 -0.409 -1.961 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.195 0.665 -2.690 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.617 0.209 -2.982 1.00 0.00 C ATOM 1292 NZ LYS A 85 -19.613 1.279 -2.702 1.00 0.00 N ATOM 0 H LYS A 85 -14.076 1.113 1.070 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.770 -0.307 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.810 -0.583 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.254 1.042 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.649 -0.825 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.065 -1.227 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.220 1.572 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.694 0.917 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.694 -0.094 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.848 -0.669 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.569 0.928 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.558 1.551 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.409 2.107 -3.297 1.00 0.00 H new ATOM 1306 N SER A 86 -13.400 1.742 -2.812 1.00 0.00 N ATOM 1307 CA SER A 86 -13.222 2.916 -3.657 1.00 0.00 C ATOM 1308 C SER A 86 -13.979 2.743 -4.967 1.00 0.00 C ATOM 1309 O SER A 86 -14.741 1.790 -5.133 1.00 0.00 O ATOM 1310 CB SER A 86 -11.738 3.156 -3.935 1.00 0.00 C ATOM 1311 OG SER A 86 -10.930 2.594 -2.916 1.00 0.00 O ATOM 0 H SER A 86 -12.922 0.905 -3.145 1.00 0.00 H new ATOM 0 HA SER A 86 -13.622 3.783 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.470 2.720 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.547 4.227 -4.006 1.00 0.00 H new ATOM 0 HG SER A 86 -10.879 1.623 -3.037 1.00 0.00 H new ATOM 1317 N GLU A 87 -13.765 3.663 -5.899 1.00 0.00 N ATOM 1318 CA GLU A 87 -14.429 3.602 -7.196 1.00 0.00 C ATOM 1319 C GLU A 87 -14.070 2.313 -7.936 1.00 0.00 C ATOM 1320 O GLU A 87 -14.756 1.918 -8.879 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.046 4.815 -8.046 1.00 0.00 C ATOM 1322 CG GLU A 87 -12.558 5.130 -8.023 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.262 6.516 -7.482 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -12.881 6.903 -6.468 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -11.411 7.215 -8.071 1.00 0.00 O ATOM 0 H GLU A 87 -13.138 4.459 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 87 -15.505 3.612 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.356 4.638 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.599 5.685 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.043 4.388 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.157 5.045 -9.033 1.00 0.00 H new ATOM 1332 N PHE A 88 -12.987 1.667 -7.509 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.534 0.431 -8.137 1.00 0.00 C ATOM 1334 C PHE A 88 -13.171 -0.795 -7.481 1.00 0.00 C ATOM 1335 O PHE A 88 -13.554 -1.742 -8.168 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.010 0.338 -8.061 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.312 0.899 -9.267 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.291 2.266 -9.497 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -9.676 0.062 -10.170 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -9.651 2.787 -10.604 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.034 0.577 -11.280 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.020 1.940 -11.497 1.00 0.00 C ATOM 0 H PHE A 88 -12.408 1.980 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 88 -12.844 0.448 -9.182 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.666 0.868 -7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.724 -0.707 -7.939 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.781 2.931 -8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.682 -1.005 -10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.643 3.854 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.544 -0.086 -11.977 1.00 0.00 H new ATOM 0 HZ PHE A 88 -8.517 2.345 -12.363 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.277 -0.778 -6.155 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.867 -1.903 -5.444 1.00 0.00 C ATOM 1354 C GLY A 89 -13.417 -1.986 -4.000 1.00 0.00 C ATOM 1355 O GLY A 89 -12.965 -0.996 -3.426 1.00 0.00 O ATOM 0 H GLY A 89 -12.967 -0.009 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.953 -1.818 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.604 -2.829 -5.956 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.538 -3.173 -3.414 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.141 -3.392 -2.037 1.00 0.00 C ATOM 1361 C TYR A 90 -11.633 -3.628 -1.971 1.00 0.00 C ATOM 1362 O TYR A 90 -11.147 -4.724 -2.247 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.922 -4.580 -1.475 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.658 -4.284 -0.182 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -15.253 -3.048 0.041 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.762 -5.246 0.810 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -15.928 -2.783 1.219 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.435 -4.990 1.989 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.016 -3.759 2.189 1.00 0.00 C ATOM 1370 OH TYR A 90 -16.687 -3.499 3.362 1.00 0.00 O ATOM 0 H TYR A 90 -13.911 -4.000 -3.880 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.368 -2.515 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.642 -4.913 -2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.232 -5.407 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -15.187 -2.282 -0.718 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.308 -6.214 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -16.384 -1.817 1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.505 -5.753 2.750 1.00 0.00 H new ATOM 0 HH TYR A 90 -16.657 -4.291 3.938 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.902 -2.567 -1.643 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.445 -2.609 -1.582 1.00 0.00 C ATOM 1382 C HIS A 91 -8.917 -3.133 -0.247 1.00 0.00 C ATOM 1383 O HIS A 91 -9.658 -3.282 0.725 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.885 -1.203 -1.816 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.010 -0.720 -3.226 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -9.759 0.381 -3.578 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.462 -1.182 -4.375 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -9.668 0.577 -4.879 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -8.887 -0.358 -5.388 1.00 0.00 N ATOM 0 H HIS A 91 -11.301 -1.657 -1.413 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.116 -3.300 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.401 -0.504 -1.157 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.833 -1.191 -1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.812 -2.039 -4.476 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.150 1.368 -5.434 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.640 -0.453 -6.373 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.611 -3.380 -0.227 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.904 -3.861 0.957 1.00 0.00 C ATOM 1400 C VAL A 92 -5.496 -3.270 0.960 1.00 0.00 C ATOM 1401 O VAL A 92 -4.971 -2.935 -0.101 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.816 -5.400 0.989 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.365 -5.880 2.358 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.154 -6.019 0.611 1.00 0.00 C ATOM 0 H VAL A 92 -7.007 -3.251 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.459 -3.545 1.840 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.075 -5.719 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.309 -6.969 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.383 -5.465 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.080 -5.551 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.073 -7.106 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.918 -5.694 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.431 -5.702 -0.394 1.00 0.00 H new ATOM 1414 N ILE A 93 -4.889 -3.110 2.135 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.551 -2.519 2.197 1.00 0.00 C ATOM 1416 C ILE A 93 -2.661 -3.150 3.269 1.00 0.00 C ATOM 1417 O ILE A 93 -2.982 -3.125 4.456 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.624 -0.992 2.458 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.053 -0.474 2.266 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.659 -0.245 1.544 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.183 1.026 2.433 1.00 0.00 C ATOM 0 H ILE A 93 -5.288 -3.373 3.036 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.104 -2.717 1.223 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.331 -0.811 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.400 -0.752 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.709 -0.969 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.725 0.825 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.641 -0.587 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.920 -0.438 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.222 1.320 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.867 1.309 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.554 1.530 1.699 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.517 -3.670 2.830 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.529 -4.268 3.725 1.00 0.00 C ATOM 1435 C LYS A 94 0.839 -3.657 3.439 1.00 0.00 C ATOM 1436 O LYS A 94 1.355 -3.774 2.327 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.479 -5.786 3.552 1.00 0.00 C ATOM 1438 CG LYS A 94 0.585 -6.464 4.402 1.00 0.00 C ATOM 1439 CD LYS A 94 0.226 -6.427 5.879 1.00 0.00 C ATOM 1440 CE LYS A 94 0.480 -7.769 6.549 1.00 0.00 C ATOM 1441 NZ LYS A 94 1.797 -8.345 6.161 1.00 0.00 N ATOM 0 H LYS A 94 -1.249 -3.689 1.846 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.815 -4.061 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.454 -6.204 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.295 -6.017 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.703 -7.499 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.545 -5.971 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.811 -5.654 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.823 -6.155 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.442 -7.647 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.314 -8.465 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.173 -8.912 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.678 -8.951 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.461 -7.576 5.940 1.00 0.00 H new ATOM 1455 N ARG A 95 1.404 -2.968 4.421 1.00 0.00 N ATOM 1456 CA ARG A 95 2.687 -2.299 4.243 1.00 0.00 C ATOM 1457 C ARG A 95 3.786 -3.264 3.819 1.00 0.00 C ATOM 1458 O ARG A 95 3.946 -4.346 4.384 1.00 0.00 O ATOM 1459 CB ARG A 95 3.098 -1.580 5.529 1.00 0.00 C ATOM 1460 CG ARG A 95 3.722 -0.214 5.291 1.00 0.00 C ATOM 1461 CD ARG A 95 5.129 -0.135 5.861 1.00 0.00 C ATOM 1462 NE ARG A 95 5.929 -1.304 5.507 1.00 0.00 N ATOM 1463 CZ ARG A 95 7.055 -1.649 6.131 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.514 -0.918 7.139 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.722 -2.728 5.745 1.00 0.00 N ATOM 0 H ARG A 95 0.995 -2.857 5.349 1.00 0.00 H new ATOM 0 HA ARG A 95 2.558 -1.571 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.221 -1.463 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.807 -2.204 6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.750 -0.008 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.100 0.556 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.620 0.765 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.076 -0.047 6.946 1.00 0.00 H new ATOM 0 HE ARG A 95 5.607 -1.891 4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.004 -0.087 7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.376 -1.187 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.373 -3.293 4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.584 -2.993 6.222 1.00 0.00 H new ATOM 1479 N LEU A 96 4.544 -2.837 2.816 1.00 0.00 N ATOM 1480 CA LEU A 96 5.639 -3.600 2.279 1.00 0.00 C ATOM 1481 C LEU A 96 6.653 -2.657 1.637 1.00 0.00 C ATOM 1482 O LEU A 96 6.353 -1.961 0.668 1.00 0.00 O ATOM 1483 CB LEU A 96 5.112 -4.617 1.258 1.00 0.00 C ATOM 1484 CG LEU A 96 5.286 -4.243 -0.220 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.723 -4.474 -0.668 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.319 -5.034 -1.086 1.00 0.00 C ATOM 0 H LEU A 96 4.405 -1.938 2.354 1.00 0.00 H new ATOM 0 HA LEU A 96 6.135 -4.146 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.613 -5.569 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.051 -4.776 1.449 1.00 0.00 H new ATOM 0 HG LEU A 96 5.061 -3.183 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.825 -4.203 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.394 -3.860 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.980 -5.525 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.456 -4.756 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.511 -6.100 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.295 -4.813 -0.783 1.00 0.00 H new ATOM 1498 N GLY A 97 7.848 -2.635 2.190 1.00 0.00 N ATOM 1499 CA GLY A 97 8.893 -1.780 1.665 1.00 0.00 C ATOM 1500 C GLY A 97 10.281 -2.251 2.051 1.00 0.00 C ATOM 1501 O GLY A 97 10.760 -3.241 1.458 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.891 -1.629 2.949 1.00 0.00 O ATOM 0 H GLY A 97 8.119 -3.195 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.815 -1.743 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.744 -0.764 2.030 1.00 0.00 H new