USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 60 TYR OH : rot 61:sc= -0.576! USER MOD Set 1.2: A 93 LYS NZ :NH3+ 151:sc= 1.08 (180deg=-0.918) USER MOD Set 2.1: A 63 THR OG1 : rot 4:sc= 1.14 USER MOD Set 2.2: A 92 MET CE :methyl -114:sc= -3.85! (180deg=-3.43!) USER MOD Set 3.1: A 64 TYR OH : rot -164:sc= 0.00803 USER MOD Set 3.2: A 72 MET CE :methyl -155:sc= -0.482 (180deg=-1.81!) USER MOD Set 3.3: A 85 SER OG : rot 73:sc= 0.365 USER MOD Set 4.1: A 50 SER OG : rot -167:sc= 0.289 USER MOD Set 4.2: A 56 LYS NZ :NH3+ 146:sc= 1.57 (180deg=-0.481) USER MOD Set 4.3: A 58 SER OG : rot -154:sc= -2.26! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 143:sc= -19.5! (180deg=-24.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0225) USER MOD Single : A 28 TYR OH : rot -80:sc= -1.94 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 41 MET CE :methyl -155:sc= -0.172 (180deg=-0.796) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.15) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 65:sc= 1.28 USER MOD Single : A 55 TYR OH : rot 8:sc= 1.05 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -1.51! (180deg=-1.61) USER MOD Single : A 81 MET CE :methyl 165:sc= -0.0906 (180deg=-0.439) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 86 CYS SG : rot -45:sc= -2.66! USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= 0.661 (180deg=-0.541) USER MOD Single : A 95 THR OG1 : rot -34:sc= 0.0761 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLY A 7 16.165 0.812 3.610 1.00 0.00 N ATOM 82 CA GLY A 7 16.252 0.646 5.047 1.00 0.00 C ATOM 83 C GLY A 7 14.922 0.891 5.722 1.00 0.00 C ATOM 84 O GLY A 7 14.771 0.671 6.922 1.00 0.00 O ATOM 0 HA2 GLY A 7 16.596 -0.363 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.996 1.335 5.448 1.00 0.00 H new ATOM 88 N ILE A 8 13.961 1.364 4.944 1.00 0.00 N ATOM 89 CA ILE A 8 12.610 1.561 5.432 1.00 0.00 C ATOM 90 C ILE A 8 11.842 0.249 5.392 1.00 0.00 C ATOM 91 O ILE A 8 11.522 -0.271 4.315 1.00 0.00 O ATOM 92 CB ILE A 8 11.852 2.642 4.623 1.00 0.00 C ATOM 93 CG1 ILE A 8 12.377 4.035 4.969 1.00 0.00 C ATOM 94 CG2 ILE A 8 10.353 2.572 4.877 1.00 0.00 C ATOM 95 CD1 ILE A 8 13.720 4.365 4.362 1.00 0.00 C ATOM 0 H ILE A 8 14.096 1.619 3.966 1.00 0.00 H new ATOM 0 HA ILE A 8 12.683 1.911 6.462 1.00 0.00 H new ATOM 0 HB ILE A 8 12.027 2.449 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.650 4.776 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.450 4.123 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.849 3.343 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.979 1.592 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.156 2.731 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.016 5.371 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.464 3.649 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.651 4.313 3.275 1.00 0.00 H new ATOM 107 N PHE A 9 11.567 -0.285 6.568 1.00 0.00 N ATOM 108 CA PHE A 9 10.845 -1.537 6.691 1.00 0.00 C ATOM 109 C PHE A 9 9.473 -1.276 7.281 1.00 0.00 C ATOM 110 O PHE A 9 9.356 -0.816 8.417 1.00 0.00 O ATOM 111 CB PHE A 9 11.604 -2.519 7.587 1.00 0.00 C ATOM 112 CG PHE A 9 13.026 -2.751 7.168 1.00 0.00 C ATOM 113 CD1 PHE A 9 13.315 -3.441 6.004 1.00 0.00 C ATOM 114 CD2 PHE A 9 14.072 -2.282 7.942 1.00 0.00 C ATOM 115 CE1 PHE A 9 14.623 -3.659 5.619 1.00 0.00 C ATOM 116 CE2 PHE A 9 15.382 -2.497 7.563 1.00 0.00 C ATOM 117 CZ PHE A 9 15.658 -3.185 6.399 1.00 0.00 C ATOM 0 H PHE A 9 11.836 0.134 7.458 1.00 0.00 H new ATOM 0 HA PHE A 9 10.746 -1.976 5.698 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.594 -2.144 8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.077 -3.473 7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.508 -3.813 5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.862 -1.742 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.836 -4.200 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 9 16.190 -2.127 8.177 1.00 0.00 H new ATOM 0 HZ PHE A 9 16.682 -3.352 6.099 1.00 0.00 H new ATOM 127 N VAL A 10 8.438 -1.554 6.513 1.00 0.00 N ATOM 128 CA VAL A 10 7.084 -1.363 6.992 1.00 0.00 C ATOM 129 C VAL A 10 6.371 -2.706 7.052 1.00 0.00 C ATOM 130 O VAL A 10 6.693 -3.632 6.303 1.00 0.00 O ATOM 131 CB VAL A 10 6.291 -0.374 6.102 1.00 0.00 C ATOM 132 CG1 VAL A 10 7.143 0.838 5.761 1.00 0.00 C ATOM 133 CG2 VAL A 10 5.780 -1.048 4.841 1.00 0.00 C ATOM 0 H VAL A 10 8.508 -1.911 5.560 1.00 0.00 H new ATOM 0 HA VAL A 10 7.137 -0.929 7.991 1.00 0.00 H new ATOM 0 HB VAL A 10 5.423 -0.038 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.569 1.522 5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.437 1.346 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.035 0.516 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.228 -0.325 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.623 -1.430 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.121 -1.873 5.111 1.00 0.00 H new ATOM 143 N LYS A 11 5.414 -2.816 7.948 1.00 0.00 N ATOM 144 CA LYS A 11 4.713 -4.066 8.147 1.00 0.00 C ATOM 145 C LYS A 11 3.443 -4.084 7.334 1.00 0.00 C ATOM 146 O LYS A 11 2.705 -3.112 7.336 1.00 0.00 O ATOM 147 CB LYS A 11 4.376 -4.279 9.622 1.00 0.00 C ATOM 148 CG LYS A 11 3.628 -3.109 10.251 1.00 0.00 C ATOM 149 CD LYS A 11 3.387 -3.306 11.740 1.00 0.00 C ATOM 150 CE LYS A 11 4.690 -3.360 12.519 1.00 0.00 C ATOM 151 NZ LYS A 11 4.468 -3.245 13.984 1.00 0.00 N ATOM 0 H LYS A 11 5.103 -2.054 8.551 1.00 0.00 H new ATOM 0 HA LYS A 11 5.368 -4.873 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.773 -5.181 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.299 -4.450 10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.197 -2.192 10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.671 -2.979 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.770 -2.492 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.830 -4.229 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.203 -4.297 12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.344 -2.554 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.382 -3.286 14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.001 -2.340 14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.865 -4.028 14.306 1.00 0.00 H new ATOM 165 N VAL A 12 3.219 -5.181 6.633 1.00 0.00 N ATOM 166 CA VAL A 12 1.979 -5.408 5.917 1.00 0.00 C ATOM 167 C VAL A 12 1.645 -6.883 5.873 1.00 0.00 C ATOM 168 O VAL A 12 2.439 -7.709 5.420 1.00 0.00 O ATOM 169 CB VAL A 12 2.041 -4.918 4.462 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.364 -5.306 3.841 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.888 -5.501 3.668 1.00 0.00 C ATOM 0 H VAL A 12 3.894 -5.941 6.545 1.00 0.00 H new ATOM 0 HA VAL A 12 1.219 -4.846 6.460 1.00 0.00 H new ATOM 0 HB VAL A 12 1.957 -3.831 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.399 -4.955 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.178 -4.853 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.470 -6.391 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.940 -5.148 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.950 -6.589 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.056 -5.185 4.112 1.00 0.00 H new ATOM 181 N SER A 13 0.489 -7.208 6.380 1.00 0.00 N ATOM 182 CA SER A 13 -0.126 -8.496 6.097 1.00 0.00 C ATOM 183 C SER A 13 -1.603 -8.420 6.379 1.00 0.00 C ATOM 184 O SER A 13 -1.984 -8.268 7.539 1.00 0.00 O ATOM 185 CB SER A 13 0.492 -9.602 6.936 1.00 0.00 C ATOM 186 OG SER A 13 0.173 -10.882 6.415 1.00 0.00 O ATOM 0 H SER A 13 -0.056 -6.604 6.995 1.00 0.00 H new ATOM 0 HA SER A 13 0.045 -8.730 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.575 -9.478 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.135 -9.525 7.963 1.00 0.00 H new ATOM 0 HG SER A 13 0.585 -11.574 6.973 1.00 0.00 H new ATOM 192 N MET A 14 -2.451 -8.503 5.373 1.00 0.00 N ATOM 193 CA MET A 14 -3.864 -8.520 5.669 1.00 0.00 C ATOM 194 C MET A 14 -4.737 -8.904 4.484 1.00 0.00 C ATOM 195 O MET A 14 -4.459 -8.525 3.348 1.00 0.00 O ATOM 196 CB MET A 14 -4.289 -7.167 6.215 1.00 0.00 C ATOM 197 CG MET A 14 -5.623 -7.230 6.899 1.00 0.00 C ATOM 198 SD MET A 14 -6.764 -6.003 6.268 1.00 0.00 S ATOM 199 CE MET A 14 -6.616 -6.377 4.527 1.00 0.00 C ATOM 0 H MET A 14 -2.200 -8.557 4.386 1.00 0.00 H new ATOM 0 HA MET A 14 -4.014 -9.298 6.417 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.538 -6.808 6.918 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.333 -6.445 5.400 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.051 -8.224 6.767 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.488 -7.081 7.970 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.588 -6.265 4.047 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.904 -5.692 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.266 -7.402 4.403 1.00 0.00 H new ATOM 209 N ASP A 15 -5.787 -9.675 4.759 1.00 0.00 N ATOM 210 CA ASP A 15 -6.906 -9.812 3.832 1.00 0.00 C ATOM 211 C ASP A 15 -8.248 -9.849 4.569 1.00 0.00 C ATOM 212 O ASP A 15 -8.857 -10.901 4.733 1.00 0.00 O ATOM 213 CB ASP A 15 -6.742 -11.025 2.921 1.00 0.00 C ATOM 214 CG ASP A 15 -6.428 -12.314 3.658 1.00 0.00 C ATOM 215 OD1 ASP A 15 -5.249 -12.536 4.004 1.00 0.00 O ATOM 216 OD2 ASP A 15 -7.357 -13.127 3.865 1.00 0.00 O ATOM 0 H ASP A 15 -5.885 -10.215 5.619 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.903 -8.926 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.658 -11.161 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.944 -10.824 2.206 1.00 0.00 H new ATOM 221 N GLY A 16 -8.708 -8.683 5.011 1.00 0.00 N ATOM 222 CA GLY A 16 -9.990 -8.584 5.697 1.00 0.00 C ATOM 223 C GLY A 16 -9.854 -8.787 7.192 1.00 0.00 C ATOM 224 O GLY A 16 -10.602 -8.219 7.985 1.00 0.00 O ATOM 0 H GLY A 16 -8.214 -7.797 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.430 -7.606 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.676 -9.328 5.292 1.00 0.00 H new ATOM 228 N ALA A 17 -8.879 -9.591 7.562 1.00 0.00 N ATOM 229 CA ALA A 17 -8.573 -9.866 8.956 1.00 0.00 C ATOM 230 C ALA A 17 -7.133 -9.455 9.229 1.00 0.00 C ATOM 231 O ALA A 17 -6.323 -9.483 8.322 1.00 0.00 O ATOM 232 CB ALA A 17 -8.781 -11.345 9.245 1.00 0.00 C ATOM 0 H ALA A 17 -8.271 -10.076 6.902 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.236 -9.298 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.551 -11.547 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.818 -11.613 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.123 -11.936 8.608 1.00 0.00 H new ATOM 238 N PRO A 18 -6.799 -9.043 10.459 1.00 0.00 N ATOM 239 CA PRO A 18 -5.456 -8.534 10.784 1.00 0.00 C ATOM 240 C PRO A 18 -4.373 -9.621 10.810 1.00 0.00 C ATOM 241 O PRO A 18 -4.533 -10.661 11.450 1.00 0.00 O ATOM 242 CB PRO A 18 -5.636 -7.930 12.177 1.00 0.00 C ATOM 243 CG PRO A 18 -6.789 -8.665 12.768 1.00 0.00 C ATOM 244 CD PRO A 18 -7.697 -9.025 11.626 1.00 0.00 C ATOM 0 HA PRO A 18 -5.110 -7.830 10.028 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.737 -8.054 12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.837 -6.860 12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.451 -9.559 13.292 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.311 -8.046 13.498 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.171 -9.994 11.781 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.497 -8.295 11.505 1.00 0.00 H new ATOM 252 N TYR A 19 -3.272 -9.365 10.103 1.00 0.00 N ATOM 253 CA TYR A 19 -2.107 -10.255 10.093 1.00 0.00 C ATOM 254 C TYR A 19 -0.837 -9.417 10.253 1.00 0.00 C ATOM 255 O TYR A 19 -0.904 -8.187 10.211 1.00 0.00 O ATOM 256 CB TYR A 19 -2.007 -11.036 8.777 1.00 0.00 C ATOM 257 CG TYR A 19 -3.193 -11.907 8.422 1.00 0.00 C ATOM 258 CD1 TYR A 19 -4.360 -11.360 7.901 1.00 0.00 C ATOM 259 CD2 TYR A 19 -3.126 -13.286 8.571 1.00 0.00 C ATOM 260 CE1 TYR A 19 -5.426 -12.166 7.547 1.00 0.00 C ATOM 261 CE2 TYR A 19 -4.186 -14.095 8.210 1.00 0.00 C ATOM 262 CZ TYR A 19 -5.331 -13.530 7.699 1.00 0.00 C ATOM 263 OH TYR A 19 -6.388 -14.335 7.334 1.00 0.00 O ATOM 0 H TYR A 19 -3.161 -8.535 9.520 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.218 -10.964 10.913 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.852 -10.323 7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.120 -11.668 8.821 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.435 -10.290 7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.230 -13.733 8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.330 -11.726 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.116 -15.166 8.329 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.159 -15.273 7.504 1.00 0.00 H new ATOM 273 N LEU A 20 0.318 -10.067 10.416 1.00 0.00 N ATOM 274 CA LEU A 20 1.580 -9.337 10.542 1.00 0.00 C ATOM 275 C LEU A 20 2.707 -9.968 9.712 1.00 0.00 C ATOM 276 O LEU A 20 3.255 -11.010 10.069 1.00 0.00 O ATOM 277 CB LEU A 20 2.008 -9.279 12.012 1.00 0.00 C ATOM 278 CG LEU A 20 1.030 -8.583 12.961 1.00 0.00 C ATOM 279 CD1 LEU A 20 1.480 -8.756 14.404 1.00 0.00 C ATOM 280 CD2 LEU A 20 0.909 -7.103 12.621 1.00 0.00 C ATOM 0 H LEU A 20 0.405 -11.082 10.463 1.00 0.00 H new ATOM 0 HA LEU A 20 1.406 -8.332 10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.166 -10.298 12.366 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.969 -8.768 12.072 1.00 0.00 H new ATOM 0 HG LEU A 20 0.050 -9.045 12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.775 -8.256 15.068 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.518 -9.818 14.649 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.470 -8.319 14.531 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.209 -6.628 13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.886 -6.628 12.712 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.546 -6.993 11.599 1.00 0.00 H new ATOM 292 N ARG A 21 3.018 -9.331 8.589 1.00 0.00 N ATOM 293 CA ARG A 21 4.221 -9.604 7.798 1.00 0.00 C ATOM 294 C ARG A 21 4.900 -8.268 7.530 1.00 0.00 C ATOM 295 O ARG A 21 4.346 -7.236 7.896 1.00 0.00 O ATOM 296 CB ARG A 21 3.893 -10.316 6.478 1.00 0.00 C ATOM 297 CG ARG A 21 3.307 -11.711 6.652 1.00 0.00 C ATOM 298 CD ARG A 21 4.376 -12.796 6.667 1.00 0.00 C ATOM 299 NE ARG A 21 5.379 -12.595 7.715 1.00 0.00 N ATOM 300 CZ ARG A 21 5.937 -13.583 8.418 1.00 0.00 C ATOM 301 NH1 ARG A 21 5.565 -14.844 8.221 1.00 0.00 N ATOM 302 NH2 ARG A 21 6.873 -13.307 9.317 1.00 0.00 N ATOM 0 H ARG A 21 2.433 -8.596 8.192 1.00 0.00 H new ATOM 0 HA ARG A 21 4.878 -10.274 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.188 -9.705 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.802 -10.387 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.741 -11.750 7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.604 -11.910 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.900 -13.766 6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.872 -12.823 5.697 1.00 0.00 H new ATOM 0 HE ARG A 21 5.670 -11.639 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.848 -15.062 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.996 -15.593 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.165 -12.342 9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.301 -14.060 9.855 1.00 0.00 H new ATOM 316 N LYS A 22 6.090 -8.258 6.944 1.00 0.00 N ATOM 317 CA LYS A 22 6.714 -6.986 6.582 1.00 0.00 C ATOM 318 C LYS A 22 7.361 -7.056 5.206 1.00 0.00 C ATOM 319 O LYS A 22 7.825 -8.114 4.782 1.00 0.00 O ATOM 320 CB LYS A 22 7.782 -6.538 7.586 1.00 0.00 C ATOM 321 CG LYS A 22 7.377 -6.602 9.042 1.00 0.00 C ATOM 322 CD LYS A 22 7.529 -8.008 9.577 1.00 0.00 C ATOM 323 CE LYS A 22 7.478 -8.038 11.087 1.00 0.00 C ATOM 324 NZ LYS A 22 6.180 -7.548 11.611 1.00 0.00 N ATOM 0 H LYS A 22 6.633 -9.090 6.713 1.00 0.00 H new ATOM 0 HA LYS A 22 5.903 -6.258 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.669 -7.156 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.068 -5.513 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.991 -5.917 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.343 -6.275 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.737 -8.639 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.476 -8.427 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.648 -9.057 11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.285 -7.426 11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.136 -7.711 12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.090 -6.530 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.403 -8.059 11.146 1.00 0.00 H new ATOM 338 N ILE A 23 7.378 -5.924 4.515 1.00 0.00 N ATOM 339 CA ILE A 23 8.133 -5.782 3.278 1.00 0.00 C ATOM 340 C ILE A 23 9.004 -4.544 3.317 1.00 0.00 C ATOM 341 O ILE A 23 8.942 -3.747 4.257 1.00 0.00 O ATOM 342 CB ILE A 23 7.253 -5.727 2.013 1.00 0.00 C ATOM 343 CG1 ILE A 23 6.153 -4.670 2.138 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.686 -7.096 1.711 1.00 0.00 C ATOM 345 CD1 ILE A 23 5.169 -4.674 0.985 1.00 0.00 C ATOM 0 H ILE A 23 6.872 -5.083 4.794 1.00 0.00 H new ATOM 0 HA ILE A 23 8.745 -6.682 3.213 1.00 0.00 H new ATOM 0 HB ILE A 23 7.879 -5.427 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.609 -4.833 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.614 -3.685 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.067 -7.044 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.502 -7.800 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.080 -7.433 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.419 -3.899 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.700 -4.480 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.679 -5.646 0.928 1.00 0.00 H new ATOM 357 N ASP A 24 9.805 -4.379 2.283 1.00 0.00 N ATOM 358 CA ASP A 24 10.750 -3.279 2.222 1.00 0.00 C ATOM 359 C ASP A 24 10.276 -2.297 1.169 1.00 0.00 C ATOM 360 O ASP A 24 10.083 -2.655 0.013 1.00 0.00 O ATOM 361 CB ASP A 24 12.139 -3.790 1.831 1.00 0.00 C ATOM 362 CG ASP A 24 12.453 -5.169 2.375 1.00 0.00 C ATOM 363 OD1 ASP A 24 12.147 -6.170 1.685 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.017 -5.268 3.481 1.00 0.00 O ATOM 0 H ASP A 24 9.821 -4.995 1.470 1.00 0.00 H new ATOM 0 HA ASP A 24 10.811 -2.801 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.217 -3.811 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.890 -3.087 2.191 1.00 0.00 H new ATOM 369 N LEU A 25 10.116 -1.045 1.581 1.00 0.00 N ATOM 370 CA LEU A 25 9.412 -0.059 0.772 1.00 0.00 C ATOM 371 C LEU A 25 10.227 0.373 -0.443 1.00 0.00 C ATOM 372 O LEU A 25 9.707 0.458 -1.549 1.00 0.00 O ATOM 373 CB LEU A 25 9.065 1.159 1.623 1.00 0.00 C ATOM 374 CG LEU A 25 7.721 1.833 1.304 1.00 0.00 C ATOM 375 CD1 LEU A 25 6.555 1.046 1.887 1.00 0.00 C ATOM 376 CD2 LEU A 25 7.702 3.253 1.836 1.00 0.00 C ATOM 0 H LEU A 25 10.465 -0.689 2.471 1.00 0.00 H new ATOM 0 HA LEU A 25 8.498 -0.527 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.060 0.858 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.858 1.898 1.507 1.00 0.00 H new ATOM 0 HG LEU A 25 7.610 1.855 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.619 1.549 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.547 0.041 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.663 0.984 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.744 3.716 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.844 3.239 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.505 3.826 1.372 1.00 0.00 H new ATOM 388 N ARG A 26 11.511 0.639 -0.233 1.00 0.00 N ATOM 389 CA ARG A 26 12.339 1.224 -1.283 1.00 0.00 C ATOM 390 C ARG A 26 12.807 0.206 -2.309 1.00 0.00 C ATOM 391 O ARG A 26 13.119 0.576 -3.437 1.00 0.00 O ATOM 392 CB ARG A 26 13.549 1.935 -0.701 1.00 0.00 C ATOM 393 CG ARG A 26 13.204 2.982 0.334 1.00 0.00 C ATOM 394 CD ARG A 26 14.405 3.850 0.661 1.00 0.00 C ATOM 395 NE ARG A 26 14.807 4.673 -0.475 1.00 0.00 N ATOM 396 CZ ARG A 26 16.068 4.833 -0.878 1.00 0.00 C ATOM 397 NH1 ARG A 26 17.063 4.229 -0.236 1.00 0.00 N ATOM 398 NH2 ARG A 26 16.332 5.606 -1.921 1.00 0.00 N ATOM 0 H ARG A 26 11.998 0.461 0.645 1.00 0.00 H new ATOM 0 HA ARG A 26 11.698 1.943 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.210 1.196 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.105 2.408 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.391 3.607 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.846 2.496 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.168 4.493 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.239 3.217 0.964 1.00 0.00 H new ATOM 0 HE ARG A 26 14.075 5.158 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.865 3.638 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.025 4.357 -0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.572 6.076 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.295 5.731 -2.232 1.00 0.00 H new ATOM 412 N VAL A 27 12.839 -1.071 -1.937 1.00 0.00 N ATOM 413 CA VAL A 27 13.421 -2.096 -2.803 1.00 0.00 C ATOM 414 C VAL A 27 12.620 -2.270 -4.088 1.00 0.00 C ATOM 415 O VAL A 27 13.067 -2.932 -5.026 1.00 0.00 O ATOM 416 CB VAL A 27 13.547 -3.460 -2.091 1.00 0.00 C ATOM 417 CG1 VAL A 27 14.367 -3.326 -0.817 1.00 0.00 C ATOM 418 CG2 VAL A 27 12.177 -4.055 -1.795 1.00 0.00 C ATOM 0 H VAL A 27 12.473 -1.420 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 27 14.422 -1.743 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 27 14.067 -4.143 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.444 -4.298 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.365 -2.963 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.880 -2.620 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.298 -5.015 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.617 -3.377 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.634 -4.199 -2.729 1.00 0.00 H new ATOM 428 N TYR A 28 11.438 -1.673 -4.131 1.00 0.00 N ATOM 429 CA TYR A 28 10.604 -1.738 -5.319 1.00 0.00 C ATOM 430 C TYR A 28 11.006 -0.659 -6.314 1.00 0.00 C ATOM 431 O TYR A 28 10.819 -0.808 -7.519 1.00 0.00 O ATOM 432 CB TYR A 28 9.137 -1.577 -4.939 1.00 0.00 C ATOM 433 CG TYR A 28 8.698 -2.563 -3.888 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.939 -3.916 -4.051 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.058 -2.140 -2.734 1.00 0.00 C ATOM 436 CE1 TYR A 28 8.553 -4.826 -3.094 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.666 -3.048 -1.765 1.00 0.00 C ATOM 438 CZ TYR A 28 7.919 -4.391 -1.954 1.00 0.00 C ATOM 439 OH TYR A 28 7.539 -5.303 -1.002 1.00 0.00 O ATOM 0 H TYR A 28 11.037 -1.140 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 28 10.745 -2.712 -5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.969 -0.564 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.520 -1.701 -5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.438 -4.263 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.862 -1.088 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.747 -5.879 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.167 -2.708 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 28 6.702 -5.733 -1.276 1.00 0.00 H new ATOM 449 N GLY A 29 11.559 0.425 -5.774 1.00 0.00 N ATOM 450 CA GLY A 29 12.121 1.500 -6.584 1.00 0.00 C ATOM 451 C GLY A 29 11.127 2.128 -7.541 1.00 0.00 C ATOM 452 O GLY A 29 11.515 2.861 -8.450 1.00 0.00 O ATOM 0 H GLY A 29 11.629 0.581 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.514 2.273 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.964 1.110 -7.154 1.00 0.00 H new ATOM 456 N GLY A 30 9.850 1.860 -7.327 1.00 0.00 N ATOM 457 CA GLY A 30 8.826 2.348 -8.219 1.00 0.00 C ATOM 458 C GLY A 30 7.507 1.657 -7.974 1.00 0.00 C ATOM 459 O GLY A 30 7.446 0.668 -7.238 1.00 0.00 O ATOM 0 H GLY A 30 9.503 1.307 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.706 3.423 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.135 2.189 -9.252 1.00 0.00 H new ATOM 463 N TYR A 31 6.456 2.171 -8.589 1.00 0.00 N ATOM 464 CA TYR A 31 5.110 1.669 -8.360 1.00 0.00 C ATOM 465 C TYR A 31 4.903 0.282 -8.959 1.00 0.00 C ATOM 466 O TYR A 31 4.158 -0.523 -8.408 1.00 0.00 O ATOM 467 CB TYR A 31 4.085 2.648 -8.923 1.00 0.00 C ATOM 468 CG TYR A 31 4.209 4.024 -8.321 1.00 0.00 C ATOM 469 CD1 TYR A 31 4.115 4.201 -6.949 1.00 0.00 C ATOM 470 CD2 TYR A 31 4.435 5.137 -9.116 1.00 0.00 C ATOM 471 CE1 TYR A 31 4.241 5.451 -6.383 1.00 0.00 C ATOM 472 CE2 TYR A 31 4.560 6.394 -8.557 1.00 0.00 C ATOM 473 CZ TYR A 31 4.463 6.546 -7.190 1.00 0.00 C ATOM 474 OH TYR A 31 4.583 7.800 -6.631 1.00 0.00 O ATOM 0 H TYR A 31 6.509 2.941 -9.256 1.00 0.00 H new ATOM 0 HA TYR A 31 4.972 1.578 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.208 2.716 -10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.082 2.264 -8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.940 3.345 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.514 5.020 -10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.166 5.572 -5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.733 7.254 -9.188 1.00 0.00 H new ATOM 0 HH TYR A 31 4.738 8.460 -7.339 1.00 0.00 H new ATOM 484 N SER A 32 5.570 -0.001 -10.075 1.00 0.00 N ATOM 485 CA SER A 32 5.389 -1.277 -10.765 1.00 0.00 C ATOM 486 C SER A 32 5.743 -2.450 -9.858 1.00 0.00 C ATOM 487 O SER A 32 4.936 -3.357 -9.662 1.00 0.00 O ATOM 488 CB SER A 32 6.246 -1.332 -12.025 1.00 0.00 C ATOM 489 OG SER A 32 5.967 -0.235 -12.883 1.00 0.00 O ATOM 0 H SER A 32 6.237 0.631 -10.519 1.00 0.00 H new ATOM 0 HA SER A 32 4.337 -1.354 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.301 -1.324 -11.751 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.061 -2.267 -12.554 1.00 0.00 H new ATOM 0 HG SER A 32 6.531 -0.293 -13.682 1.00 0.00 H new ATOM 495 N GLU A 33 6.944 -2.419 -9.298 1.00 0.00 N ATOM 496 CA GLU A 33 7.400 -3.483 -8.418 1.00 0.00 C ATOM 497 C GLU A 33 6.698 -3.405 -7.070 1.00 0.00 C ATOM 498 O GLU A 33 6.487 -4.425 -6.411 1.00 0.00 O ATOM 499 CB GLU A 33 8.915 -3.416 -8.242 1.00 0.00 C ATOM 500 CG GLU A 33 9.681 -3.757 -9.511 1.00 0.00 C ATOM 501 CD GLU A 33 11.183 -3.685 -9.331 1.00 0.00 C ATOM 502 OE1 GLU A 33 11.757 -4.613 -8.720 1.00 0.00 O ATOM 503 OE2 GLU A 33 11.798 -2.707 -9.802 1.00 0.00 O ATOM 0 H GLU A 33 7.620 -1.668 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 33 7.148 -4.440 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.192 -2.414 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.213 -4.103 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.407 -4.761 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.382 -3.072 -10.305 1.00 0.00 H new ATOM 510 N LEU A 34 6.337 -2.192 -6.669 1.00 0.00 N ATOM 511 CA LEU A 34 5.600 -1.979 -5.429 1.00 0.00 C ATOM 512 C LEU A 34 4.274 -2.727 -5.465 1.00 0.00 C ATOM 513 O LEU A 34 3.998 -3.563 -4.610 1.00 0.00 O ATOM 514 CB LEU A 34 5.331 -0.484 -5.232 1.00 0.00 C ATOM 515 CG LEU A 34 4.490 -0.124 -4.008 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.349 -0.013 -2.760 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.722 1.163 -4.257 1.00 0.00 C ATOM 0 H LEU A 34 6.544 -1.338 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 34 6.201 -2.355 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.288 0.033 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.829 -0.102 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 34 3.773 -0.928 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.720 0.244 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.843 -0.966 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.101 0.763 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.127 1.408 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.424 1.973 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.063 1.033 -5.116 1.00 0.00 H new ATOM 529 N LEU A 35 3.483 -2.447 -6.494 1.00 0.00 N ATOM 530 CA LEU A 35 2.174 -3.051 -6.658 1.00 0.00 C ATOM 531 C LEU A 35 2.288 -4.547 -6.914 1.00 0.00 C ATOM 532 O LEU A 35 1.476 -5.345 -6.440 1.00 0.00 O ATOM 533 CB LEU A 35 1.454 -2.366 -7.814 1.00 0.00 C ATOM 534 CG LEU A 35 1.116 -0.890 -7.583 1.00 0.00 C ATOM 535 CD1 LEU A 35 0.770 -0.209 -8.894 1.00 0.00 C ATOM 536 CD2 LEU A 35 -0.034 -0.746 -6.596 1.00 0.00 C ATOM 0 H LEU A 35 3.735 -1.794 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 35 1.604 -2.918 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.074 -2.446 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.530 -2.907 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 35 1.996 -0.405 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.533 0.839 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.620 -0.274 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.092 -0.702 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.256 0.311 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.916 -1.251 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.246 -1.195 -5.643 1.00 0.00 H new ATOM 548 N LYS A 36 3.325 -4.908 -7.645 1.00 0.00 N ATOM 549 CA LYS A 36 3.562 -6.288 -8.043 1.00 0.00 C ATOM 550 C LYS A 36 3.829 -7.178 -6.828 1.00 0.00 C ATOM 551 O LYS A 36 3.453 -8.352 -6.808 1.00 0.00 O ATOM 552 CB LYS A 36 4.750 -6.339 -9.005 1.00 0.00 C ATOM 553 CG LYS A 36 4.874 -7.637 -9.779 1.00 0.00 C ATOM 554 CD LYS A 36 3.664 -7.875 -10.667 1.00 0.00 C ATOM 555 CE LYS A 36 3.805 -9.151 -11.476 1.00 0.00 C ATOM 556 NZ LYS A 36 2.672 -9.333 -12.423 1.00 0.00 N ATOM 0 H LYS A 36 4.031 -4.253 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 36 2.668 -6.665 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.664 -5.515 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.668 -6.179 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.776 -7.612 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.984 -8.468 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.766 -7.931 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.535 -7.029 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.743 -9.128 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.856 -10.005 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.804 -10.215 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.779 -9.381 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.639 -8.530 -13.083 1.00 0.00 H new ATOM 570 N ALA A 37 4.474 -6.613 -5.815 1.00 0.00 N ATOM 571 CA ALA A 37 4.801 -7.359 -4.605 1.00 0.00 C ATOM 572 C ALA A 37 3.554 -7.619 -3.769 1.00 0.00 C ATOM 573 O ALA A 37 3.440 -8.645 -3.110 1.00 0.00 O ATOM 574 CB ALA A 37 5.833 -6.610 -3.785 1.00 0.00 C ATOM 0 H ALA A 37 4.781 -5.640 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 37 5.218 -8.321 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.066 -7.180 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.740 -6.476 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.436 -5.635 -3.504 1.00 0.00 H new ATOM 580 N LEU A 38 2.621 -6.685 -3.818 1.00 0.00 N ATOM 581 CA LEU A 38 1.362 -6.800 -3.083 1.00 0.00 C ATOM 582 C LEU A 38 0.545 -7.933 -3.656 1.00 0.00 C ATOM 583 O LEU A 38 0.076 -8.809 -2.931 1.00 0.00 O ATOM 584 CB LEU A 38 0.558 -5.520 -3.218 1.00 0.00 C ATOM 585 CG LEU A 38 1.371 -4.251 -3.390 1.00 0.00 C ATOM 586 CD1 LEU A 38 0.458 -3.132 -3.824 1.00 0.00 C ATOM 587 CD2 LEU A 38 2.105 -3.882 -2.110 1.00 0.00 C ATOM 0 H LEU A 38 2.708 -5.828 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 38 1.589 -6.986 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.111 -5.621 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.070 -5.411 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 38 2.128 -4.421 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.038 -2.217 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.015 -3.394 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.310 -2.974 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.677 -2.968 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.383 -3.723 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.782 -4.690 -1.833 1.00 0.00 H new ATOM 599 N GLU A 39 0.373 -7.890 -4.973 1.00 0.00 N ATOM 600 CA GLU A 39 -0.267 -8.978 -5.700 1.00 0.00 C ATOM 601 C GLU A 39 0.410 -10.298 -5.358 1.00 0.00 C ATOM 602 O GLU A 39 -0.227 -11.350 -5.302 1.00 0.00 O ATOM 603 CB GLU A 39 -0.175 -8.740 -7.205 1.00 0.00 C ATOM 604 CG GLU A 39 -0.759 -7.417 -7.655 1.00 0.00 C ATOM 605 CD GLU A 39 -0.864 -7.326 -9.157 1.00 0.00 C ATOM 606 OE1 GLU A 39 0.186 -7.224 -9.825 1.00 0.00 O ATOM 607 OE2 GLU A 39 -1.998 -7.372 -9.678 1.00 0.00 O ATOM 0 H GLU A 39 0.669 -7.110 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.317 -9.018 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.871 -8.785 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.691 -9.548 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.748 -7.289 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.137 -6.602 -7.285 1.00 0.00 H new ATOM 614 N THR A 40 1.705 -10.210 -5.101 1.00 0.00 N ATOM 615 CA THR A 40 2.506 -11.359 -4.739 1.00 0.00 C ATOM 616 C THR A 40 2.178 -11.853 -3.329 1.00 0.00 C ATOM 617 O THR A 40 2.200 -13.055 -3.064 1.00 0.00 O ATOM 618 CB THR A 40 4.003 -11.006 -4.828 1.00 0.00 C ATOM 619 OG1 THR A 40 4.387 -10.835 -6.202 1.00 0.00 O ATOM 620 CG2 THR A 40 4.863 -12.065 -4.163 1.00 0.00 C ATOM 0 H THR A 40 2.228 -9.335 -5.139 1.00 0.00 H new ATOM 0 HA THR A 40 2.273 -12.160 -5.441 1.00 0.00 H new ATOM 0 HB THR A 40 4.163 -10.069 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.007 -10.000 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.913 -11.785 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.590 -12.148 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.705 -13.024 -4.656 1.00 0.00 H new ATOM 628 N MET A 41 1.850 -10.928 -2.435 1.00 0.00 N ATOM 629 CA MET A 41 1.719 -11.249 -1.025 1.00 0.00 C ATOM 630 C MET A 41 0.571 -12.223 -0.768 1.00 0.00 C ATOM 631 O MET A 41 0.773 -13.302 -0.211 1.00 0.00 O ATOM 632 CB MET A 41 1.480 -9.965 -0.229 1.00 0.00 C ATOM 633 CG MET A 41 2.673 -9.022 -0.199 1.00 0.00 C ATOM 634 SD MET A 41 3.931 -9.522 0.987 1.00 0.00 S ATOM 635 CE MET A 41 3.058 -9.204 2.515 1.00 0.00 C ATOM 0 H MET A 41 1.671 -9.951 -2.665 1.00 0.00 H new ATOM 0 HA MET A 41 2.645 -11.728 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.626 -9.439 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.213 -10.229 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.117 -8.974 -1.193 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.329 -8.017 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.777 -9.026 3.315 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.423 -8.326 2.395 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.441 -10.066 2.768 1.00 0.00 H new ATOM 645 N PHE A 42 -0.627 -11.847 -1.190 1.00 0.00 N ATOM 646 CA PHE A 42 -1.815 -12.674 -0.949 1.00 0.00 C ATOM 647 C PHE A 42 -2.323 -13.333 -2.224 1.00 0.00 C ATOM 648 O PHE A 42 -3.440 -13.851 -2.271 1.00 0.00 O ATOM 649 CB PHE A 42 -2.925 -11.884 -0.240 1.00 0.00 C ATOM 650 CG PHE A 42 -2.729 -10.403 -0.268 1.00 0.00 C ATOM 651 CD1 PHE A 42 -2.825 -9.701 -1.455 1.00 0.00 C ATOM 652 CD2 PHE A 42 -2.446 -9.714 0.896 1.00 0.00 C ATOM 653 CE1 PHE A 42 -2.644 -8.342 -1.482 1.00 0.00 C ATOM 654 CE2 PHE A 42 -2.264 -8.352 0.872 1.00 0.00 C ATOM 655 CZ PHE A 42 -2.364 -7.669 -0.320 1.00 0.00 C ATOM 0 H PHE A 42 -0.809 -10.982 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.508 -13.476 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.881 -12.123 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.985 -12.213 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.045 -10.229 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.367 -10.249 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.722 -7.803 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.043 -7.819 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.221 -6.599 -0.340 1.00 0.00 H new ATOM 665 N LYS A 43 -1.490 -13.284 -3.256 1.00 0.00 N ATOM 666 CA LYS A 43 -1.701 -14.031 -4.503 1.00 0.00 C ATOM 667 C LYS A 43 -2.988 -13.609 -5.223 1.00 0.00 C ATOM 668 O LYS A 43 -3.826 -14.448 -5.558 1.00 0.00 O ATOM 669 CB LYS A 43 -1.742 -15.550 -4.239 1.00 0.00 C ATOM 670 CG LYS A 43 -0.919 -16.020 -3.040 1.00 0.00 C ATOM 671 CD LYS A 43 0.537 -15.607 -3.134 1.00 0.00 C ATOM 672 CE LYS A 43 1.387 -16.305 -2.082 1.00 0.00 C ATOM 673 NZ LYS A 43 0.953 -15.980 -0.696 1.00 0.00 N ATOM 0 H LYS A 43 -0.639 -12.721 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.855 -13.795 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.779 -15.849 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.387 -16.068 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.350 -15.612 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.981 -17.106 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.919 -15.844 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.618 -14.527 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.334 -17.383 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.430 -16.016 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.716 -16.214 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.734 -14.965 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.105 -16.533 -0.459 1.00 0.00 H new ATOM 687 N LEU A 44 -3.138 -12.317 -5.477 1.00 0.00 N ATOM 688 CA LEU A 44 -4.334 -11.806 -6.145 1.00 0.00 C ATOM 689 C LEU A 44 -4.009 -10.553 -6.953 1.00 0.00 C ATOM 690 O LEU A 44 -2.844 -10.190 -7.090 1.00 0.00 O ATOM 691 CB LEU A 44 -5.439 -11.543 -5.119 1.00 0.00 C ATOM 692 CG LEU A 44 -5.008 -10.795 -3.868 1.00 0.00 C ATOM 693 CD1 LEU A 44 -4.997 -9.292 -4.104 1.00 0.00 C ATOM 694 CD2 LEU A 44 -5.917 -11.159 -2.712 1.00 0.00 C ATOM 0 H LEU A 44 -2.451 -11.603 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.696 -12.559 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.233 -10.976 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.867 -12.500 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.989 -11.092 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.685 -8.783 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.301 -9.055 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.998 -8.960 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.603 -10.620 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.944 -10.888 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.859 -12.232 -2.527 1.00 0.00 H new ATOM 706 N THR A 45 -5.035 -9.903 -7.487 1.00 0.00 N ATOM 707 CA THR A 45 -4.840 -8.764 -8.375 1.00 0.00 C ATOM 708 C THR A 45 -5.035 -7.429 -7.652 1.00 0.00 C ATOM 709 O THR A 45 -6.061 -7.205 -7.007 1.00 0.00 O ATOM 710 CB THR A 45 -5.822 -8.830 -9.558 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.811 -10.141 -10.133 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.461 -7.807 -10.623 1.00 0.00 C ATOM 0 H THR A 45 -6.012 -10.145 -7.321 1.00 0.00 H new ATOM 0 HA THR A 45 -3.812 -8.819 -8.733 1.00 0.00 H new ATOM 0 HB THR A 45 -6.820 -8.604 -9.181 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.440 -10.174 -10.884 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.170 -7.875 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.498 -6.806 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.455 -8.006 -10.993 1.00 0.00 H new ATOM 720 N ILE A 46 -4.054 -6.545 -7.780 1.00 0.00 N ATOM 721 CA ILE A 46 -4.156 -5.193 -7.243 1.00 0.00 C ATOM 722 C ILE A 46 -4.395 -4.201 -8.372 1.00 0.00 C ATOM 723 O ILE A 46 -3.726 -4.258 -9.405 1.00 0.00 O ATOM 724 CB ILE A 46 -2.872 -4.755 -6.494 1.00 0.00 C ATOM 725 CG1 ILE A 46 -2.621 -5.616 -5.248 1.00 0.00 C ATOM 726 CG2 ILE A 46 -2.964 -3.280 -6.107 1.00 0.00 C ATOM 727 CD1 ILE A 46 -3.704 -5.514 -4.210 1.00 0.00 C ATOM 0 H ILE A 46 -3.173 -6.741 -8.254 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.988 -5.201 -6.539 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.029 -4.897 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.520 -6.658 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.672 -5.321 -4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.056 -2.984 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.076 -2.674 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.825 -3.127 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.455 -6.150 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.791 -4.480 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.652 -5.837 -4.640 1.00 0.00 H new ATOM 739 N GLY A 47 -5.351 -3.305 -8.184 1.00 0.00 N ATOM 740 CA GLY A 47 -5.527 -2.226 -9.120 1.00 0.00 C ATOM 741 C GLY A 47 -4.745 -1.008 -8.702 1.00 0.00 C ATOM 742 O GLY A 47 -4.707 -0.662 -7.521 1.00 0.00 O ATOM 0 H GLY A 47 -6.004 -3.309 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.205 -2.545 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.585 -1.974 -9.194 1.00 0.00 H new ATOM 746 N GLU A 48 -4.156 -0.351 -9.678 1.00 0.00 N ATOM 747 CA GLU A 48 -3.248 0.769 -9.434 1.00 0.00 C ATOM 748 C GLU A 48 -3.986 1.996 -8.919 1.00 0.00 C ATOM 749 O GLU A 48 -5.208 1.983 -8.733 1.00 0.00 O ATOM 750 CB GLU A 48 -2.497 1.130 -10.715 1.00 0.00 C ATOM 751 CG GLU A 48 -3.384 1.732 -11.793 1.00 0.00 C ATOM 752 CD GLU A 48 -2.584 2.292 -12.946 1.00 0.00 C ATOM 753 OE1 GLU A 48 -1.896 3.316 -12.751 1.00 0.00 O ATOM 754 OE2 GLU A 48 -2.646 1.720 -14.050 1.00 0.00 O ATOM 0 H GLU A 48 -4.287 -0.571 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.541 0.451 -8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.703 1.837 -10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.017 0.234 -11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.069 0.970 -12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.994 2.524 -11.358 1.00 0.00 H new ATOM 761 N TYR A 49 -3.225 3.053 -8.688 1.00 0.00 N ATOM 762 CA TYR A 49 -3.778 4.309 -8.210 1.00 0.00 C ATOM 763 C TYR A 49 -4.533 5.024 -9.326 1.00 0.00 C ATOM 764 O TYR A 49 -3.989 5.897 -10.004 1.00 0.00 O ATOM 765 CB TYR A 49 -2.675 5.218 -7.659 1.00 0.00 C ATOM 766 CG TYR A 49 -3.203 6.308 -6.751 1.00 0.00 C ATOM 767 CD1 TYR A 49 -3.481 6.030 -5.425 1.00 0.00 C ATOM 768 CD2 TYR A 49 -3.435 7.595 -7.215 1.00 0.00 C ATOM 769 CE1 TYR A 49 -3.977 6.997 -4.575 1.00 0.00 C ATOM 770 CE2 TYR A 49 -3.932 8.576 -6.374 1.00 0.00 C ATOM 771 CZ TYR A 49 -4.202 8.272 -5.056 1.00 0.00 C ATOM 772 OH TYR A 49 -4.702 9.244 -4.220 1.00 0.00 O ATOM 0 H TYR A 49 -2.214 3.065 -8.825 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.475 4.081 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.954 4.613 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.139 5.674 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.306 5.034 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.225 7.835 -8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.187 6.759 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.107 9.574 -6.748 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.053 9.430 -3.510 1.00 0.00 H new ATOM 782 N SER A 50 -5.772 4.613 -9.534 1.00 0.00 N ATOM 783 CA SER A 50 -6.668 5.283 -10.458 1.00 0.00 C ATOM 784 C SER A 50 -6.953 6.689 -9.953 1.00 0.00 C ATOM 785 O SER A 50 -7.567 6.846 -8.916 1.00 0.00 O ATOM 786 CB SER A 50 -7.963 4.492 -10.549 1.00 0.00 C ATOM 787 OG SER A 50 -7.695 3.098 -10.616 1.00 0.00 O ATOM 0 H SER A 50 -6.184 3.805 -9.067 1.00 0.00 H new ATOM 0 HA SER A 50 -6.210 5.346 -11.445 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.588 4.706 -9.682 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.524 4.803 -11.431 1.00 0.00 H new ATOM 0 HG SER A 50 -8.510 2.621 -10.879 1.00 0.00 H new ATOM 793 N GLU A 51 -6.537 7.702 -10.697 1.00 0.00 N ATOM 794 CA GLU A 51 -6.559 9.082 -10.209 1.00 0.00 C ATOM 795 C GLU A 51 -7.974 9.538 -9.823 1.00 0.00 C ATOM 796 O GLU A 51 -8.144 10.503 -9.075 1.00 0.00 O ATOM 797 CB GLU A 51 -5.967 10.004 -11.275 1.00 0.00 C ATOM 798 CG GLU A 51 -5.782 11.439 -10.815 1.00 0.00 C ATOM 799 CD GLU A 51 -5.066 12.284 -11.841 1.00 0.00 C ATOM 800 OE1 GLU A 51 -5.711 12.712 -12.822 1.00 0.00 O ATOM 801 OE2 GLU A 51 -3.850 12.520 -11.680 1.00 0.00 O ATOM 0 H GLU A 51 -6.178 7.599 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.956 9.132 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.002 9.607 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.616 9.995 -12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.757 11.878 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.218 11.449 -9.882 1.00 0.00 H new ATOM 808 N ARG A 52 -8.978 8.829 -10.317 1.00 0.00 N ATOM 809 CA ARG A 52 -10.366 9.190 -10.076 1.00 0.00 C ATOM 810 C ARG A 52 -10.784 8.972 -8.606 1.00 0.00 C ATOM 811 O ARG A 52 -11.379 9.862 -8.003 1.00 0.00 O ATOM 812 CB ARG A 52 -11.276 8.434 -11.055 1.00 0.00 C ATOM 813 CG ARG A 52 -11.290 6.924 -10.888 1.00 0.00 C ATOM 814 CD ARG A 52 -12.516 6.478 -10.114 1.00 0.00 C ATOM 815 NE ARG A 52 -13.749 6.758 -10.851 1.00 0.00 N ATOM 816 CZ ARG A 52 -14.917 6.155 -10.626 1.00 0.00 C ATOM 817 NH1 ARG A 52 -15.039 5.263 -9.652 1.00 0.00 N ATOM 818 NH2 ARG A 52 -15.973 6.454 -11.371 1.00 0.00 N ATOM 0 H ARG A 52 -8.855 7.995 -10.891 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.476 10.259 -10.257 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.294 8.806 -10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.963 8.668 -12.072 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.279 6.445 -11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.388 6.603 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.449 5.410 -9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.544 6.987 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.712 7.463 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.235 5.033 -9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.936 4.807 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.892 7.145 -12.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.866 5.992 -11.198 1.00 0.00 H new ATOM 832 N GLU A 53 -10.498 7.796 -8.034 1.00 0.00 N ATOM 833 CA GLU A 53 -10.766 7.563 -6.605 1.00 0.00 C ATOM 834 C GLU A 53 -9.483 7.221 -5.850 1.00 0.00 C ATOM 835 O GLU A 53 -9.343 7.492 -4.660 1.00 0.00 O ATOM 836 CB GLU A 53 -11.762 6.417 -6.410 1.00 0.00 C ATOM 837 CG GLU A 53 -13.207 6.798 -6.651 1.00 0.00 C ATOM 838 CD GLU A 53 -14.136 5.604 -6.588 1.00 0.00 C ATOM 839 OE1 GLU A 53 -13.876 4.602 -7.287 1.00 0.00 O ATOM 840 OE2 GLU A 53 -15.144 5.668 -5.858 1.00 0.00 O ATOM 0 H GLU A 53 -10.088 7.002 -8.526 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.187 8.487 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.496 5.602 -7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.664 6.035 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.515 7.534 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.297 7.274 -7.628 1.00 0.00 H new ATOM 847 N GLY A 54 -8.557 6.646 -6.603 1.00 0.00 N ATOM 848 CA GLY A 54 -7.266 6.168 -6.129 1.00 0.00 C ATOM 849 C GLY A 54 -7.267 5.347 -4.854 1.00 0.00 C ATOM 850 O GLY A 54 -6.202 5.010 -4.366 1.00 0.00 O ATOM 0 H GLY A 54 -8.690 6.493 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.815 5.568 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.619 7.032 -5.976 1.00 0.00 H new ATOM 854 N TYR A 55 -8.420 4.966 -4.331 1.00 0.00 N ATOM 855 CA TYR A 55 -8.437 4.146 -3.126 1.00 0.00 C ATOM 856 C TYR A 55 -9.288 2.909 -3.317 1.00 0.00 C ATOM 857 O TYR A 55 -9.553 2.184 -2.362 1.00 0.00 O ATOM 858 CB TYR A 55 -8.942 4.931 -1.913 1.00 0.00 C ATOM 859 CG TYR A 55 -8.225 6.242 -1.678 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.870 6.377 -1.941 1.00 0.00 C ATOM 861 CD2 TYR A 55 -8.906 7.344 -1.192 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.216 7.567 -1.733 1.00 0.00 C ATOM 863 CE2 TYR A 55 -8.259 8.541 -0.976 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.911 8.650 -1.251 1.00 0.00 C ATOM 865 OH TYR A 55 -6.253 9.838 -1.032 1.00 0.00 O ATOM 0 H TYR A 55 -9.337 5.203 -4.709 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.407 3.844 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.006 5.130 -2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.839 4.309 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.317 5.529 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.962 7.265 -0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.161 7.651 -1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.805 9.391 -0.593 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.339 9.775 -1.380 1.00 0.00 H new ATOM 875 N LYS A 56 -9.715 2.655 -4.546 1.00 0.00 N ATOM 876 CA LYS A 56 -10.676 1.601 -4.782 1.00 0.00 C ATOM 877 C LYS A 56 -10.023 0.233 -4.668 1.00 0.00 C ATOM 878 O LYS A 56 -10.681 -0.761 -4.370 1.00 0.00 O ATOM 879 CB LYS A 56 -11.344 1.778 -6.151 1.00 0.00 C ATOM 880 CG LYS A 56 -10.711 2.839 -7.057 1.00 0.00 C ATOM 881 CD LYS A 56 -9.769 2.239 -8.093 1.00 0.00 C ATOM 882 CE LYS A 56 -8.513 1.617 -7.514 1.00 0.00 C ATOM 883 NZ LYS A 56 -7.704 0.914 -8.554 1.00 0.00 N ATOM 0 H LYS A 56 -9.413 3.159 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.448 1.666 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.325 0.821 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.392 2.035 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.499 3.394 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.163 3.554 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.308 1.479 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.481 3.018 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.907 2.393 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.787 0.911 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.693 1.010 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.961 -0.094 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.894 1.336 -9.485 1.00 0.00 H new ATOM 897 N GLY A 57 -8.710 0.209 -4.891 1.00 0.00 N ATOM 898 CA GLY A 57 -7.954 -1.031 -4.922 1.00 0.00 C ATOM 899 C GLY A 57 -8.408 -2.022 -5.984 1.00 0.00 C ATOM 900 O GLY A 57 -7.733 -3.027 -6.214 1.00 0.00 O ATOM 0 H GLY A 57 -8.148 1.045 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.903 -0.796 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.023 -1.508 -3.945 1.00 0.00 H new ATOM 904 N SER A 58 -9.529 -1.724 -6.641 1.00 0.00 N ATOM 905 CA SER A 58 -10.190 -2.654 -7.546 1.00 0.00 C ATOM 906 C SER A 58 -10.785 -3.808 -6.737 1.00 0.00 C ATOM 907 O SER A 58 -12.004 -3.894 -6.581 1.00 0.00 O ATOM 908 CB SER A 58 -9.224 -3.137 -8.627 1.00 0.00 C ATOM 909 OG SER A 58 -8.607 -2.029 -9.267 1.00 0.00 O ATOM 0 H SER A 58 -10.004 -0.825 -6.557 1.00 0.00 H new ATOM 0 HA SER A 58 -11.005 -2.149 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.463 -3.780 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.760 -3.738 -9.362 1.00 0.00 H new ATOM 0 HG SER A 58 -8.337 -2.284 -10.174 1.00 0.00 H new ATOM 915 N GLU A 59 -9.935 -4.696 -6.226 1.00 0.00 N ATOM 916 CA GLU A 59 -10.366 -5.643 -5.211 1.00 0.00 C ATOM 917 C GLU A 59 -9.565 -5.471 -3.924 1.00 0.00 C ATOM 918 O GLU A 59 -10.053 -5.785 -2.844 1.00 0.00 O ATOM 919 CB GLU A 59 -10.284 -7.082 -5.688 1.00 0.00 C ATOM 920 CG GLU A 59 -10.907 -8.034 -4.687 1.00 0.00 C ATOM 921 CD GLU A 59 -11.003 -9.453 -5.204 1.00 0.00 C ATOM 922 OE1 GLU A 59 -11.926 -9.739 -5.994 1.00 0.00 O ATOM 923 OE2 GLU A 59 -10.160 -10.291 -4.828 1.00 0.00 O ATOM 0 H GLU A 59 -8.955 -4.776 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.414 -5.423 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.792 -7.178 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.241 -7.354 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.318 -8.026 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.904 -7.679 -4.428 1.00 0.00 H new ATOM 930 N TYR A 60 -8.333 -4.994 -4.034 1.00 0.00 N ATOM 931 CA TYR A 60 -7.517 -4.730 -2.854 1.00 0.00 C ATOM 932 C TYR A 60 -6.828 -3.390 -2.961 1.00 0.00 C ATOM 933 O TYR A 60 -6.104 -3.127 -3.919 1.00 0.00 O ATOM 934 CB TYR A 60 -6.467 -5.818 -2.639 1.00 0.00 C ATOM 935 CG TYR A 60 -6.938 -6.949 -1.765 1.00 0.00 C ATOM 936 CD1 TYR A 60 -7.738 -7.958 -2.274 1.00 0.00 C ATOM 937 CD2 TYR A 60 -6.601 -6.990 -0.422 1.00 0.00 C ATOM 938 CE1 TYR A 60 -8.188 -8.980 -1.470 1.00 0.00 C ATOM 939 CE2 TYR A 60 -7.049 -8.001 0.396 1.00 0.00 C ATOM 940 CZ TYR A 60 -7.846 -8.998 -0.135 1.00 0.00 C ATOM 941 OH TYR A 60 -8.312 -10.008 0.670 1.00 0.00 O ATOM 0 H TYR A 60 -7.877 -4.783 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.193 -4.723 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.169 -6.219 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.579 -5.371 -2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.013 -7.943 -3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.974 -6.213 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.806 -9.764 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.781 -8.016 1.442 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.983 -10.869 0.338 1.00 0.00 H new ATOM 951 N ALA A 61 -7.040 -2.556 -1.961 1.00 0.00 N ATOM 952 CA ALA A 61 -6.435 -1.244 -1.922 1.00 0.00 C ATOM 953 C ALA A 61 -5.254 -1.239 -0.966 1.00 0.00 C ATOM 954 O ALA A 61 -5.432 -1.302 0.253 1.00 0.00 O ATOM 955 CB ALA A 61 -7.464 -0.200 -1.511 1.00 0.00 C ATOM 0 H ALA A 61 -7.633 -2.769 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.072 -0.994 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.995 0.783 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.283 -0.193 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.853 -0.442 -0.522 1.00 0.00 H new ATOM 961 N PRO A 62 -4.029 -1.217 -1.504 1.00 0.00 N ATOM 962 CA PRO A 62 -2.829 -1.093 -0.685 1.00 0.00 C ATOM 963 C PRO A 62 -2.720 0.291 -0.071 1.00 0.00 C ATOM 964 O PRO A 62 -2.608 1.288 -0.776 1.00 0.00 O ATOM 965 CB PRO A 62 -1.690 -1.331 -1.679 1.00 0.00 C ATOM 966 CG PRO A 62 -2.264 -0.997 -3.013 1.00 0.00 C ATOM 967 CD PRO A 62 -3.720 -1.354 -2.937 1.00 0.00 C ATOM 0 HA PRO A 62 -2.822 -1.790 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.830 -0.702 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.347 -2.365 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.133 0.061 -3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.765 -1.557 -3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.330 -0.686 -3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.905 -2.368 -3.293 1.00 0.00 H new ATOM 975 N THR A 63 -2.704 0.344 1.243 1.00 0.00 N ATOM 976 CA THR A 63 -2.680 1.610 1.938 1.00 0.00 C ATOM 977 C THR A 63 -1.524 1.665 2.913 1.00 0.00 C ATOM 978 O THR A 63 -0.954 0.638 3.285 1.00 0.00 O ATOM 979 CB THR A 63 -4.002 1.883 2.689 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.308 0.798 3.573 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.152 2.089 1.713 1.00 0.00 C ATOM 0 H THR A 63 -2.707 -0.475 1.851 1.00 0.00 H new ATOM 0 HA THR A 63 -2.553 2.384 1.181 1.00 0.00 H new ATOM 0 HB THR A 63 -3.873 2.795 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.575 0.147 3.558 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.071 2.279 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.934 2.941 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.276 1.195 1.102 1.00 0.00 H new ATOM 989 N TYR A 64 -1.189 2.866 3.319 1.00 0.00 N ATOM 990 CA TYR A 64 -0.077 3.086 4.210 1.00 0.00 C ATOM 991 C TYR A 64 -0.506 4.021 5.327 1.00 0.00 C ATOM 992 O TYR A 64 -1.544 4.671 5.227 1.00 0.00 O ATOM 993 CB TYR A 64 1.088 3.694 3.438 1.00 0.00 C ATOM 994 CG TYR A 64 0.947 5.179 3.211 1.00 0.00 C ATOM 995 CD1 TYR A 64 -0.077 5.703 2.432 1.00 0.00 C ATOM 996 CD2 TYR A 64 1.841 6.054 3.788 1.00 0.00 C ATOM 997 CE1 TYR A 64 -0.196 7.065 2.240 1.00 0.00 C ATOM 998 CE2 TYR A 64 1.737 7.410 3.605 1.00 0.00 C ATOM 999 CZ TYR A 64 0.722 7.917 2.832 1.00 0.00 C ATOM 1000 OH TYR A 64 0.637 9.276 2.642 1.00 0.00 O ATOM 0 H TYR A 64 -1.679 3.716 3.041 1.00 0.00 H new ATOM 0 HA TYR A 64 0.242 2.136 4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.013 3.503 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.176 3.193 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.790 5.036 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.642 5.664 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.997 7.462 1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.451 8.076 4.067 1.00 0.00 H new ATOM 0 HH TYR A 64 1.480 9.697 2.910 1.00 0.00 H new ATOM 1010 N GLU A 65 0.286 4.085 6.378 1.00 0.00 N ATOM 1011 CA GLU A 65 -0.024 4.950 7.503 1.00 0.00 C ATOM 1012 C GLU A 65 0.929 6.135 7.541 1.00 0.00 C ATOM 1013 O GLU A 65 2.139 5.961 7.718 1.00 0.00 O ATOM 1014 CB GLU A 65 0.066 4.178 8.817 1.00 0.00 C ATOM 1015 CG GLU A 65 -0.461 4.960 10.008 1.00 0.00 C ATOM 1016 CD GLU A 65 -0.196 4.266 11.325 1.00 0.00 C ATOM 1017 OE1 GLU A 65 -0.999 3.397 11.726 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.820 4.588 11.970 1.00 0.00 O ATOM 0 H GLU A 65 1.149 3.550 6.479 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.043 5.315 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.495 3.248 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.105 3.906 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.001 5.947 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.534 5.112 9.892 1.00 0.00 H new ATOM 1025 N ASP A 66 0.380 7.330 7.361 1.00 0.00 N ATOM 1026 CA ASP A 66 1.163 8.558 7.444 1.00 0.00 C ATOM 1027 C ASP A 66 1.360 8.951 8.914 1.00 0.00 C ATOM 1028 O ASP A 66 0.905 8.238 9.809 1.00 0.00 O ATOM 1029 CB ASP A 66 0.470 9.686 6.660 1.00 0.00 C ATOM 1030 CG ASP A 66 1.345 10.913 6.487 1.00 0.00 C ATOM 1031 OD1 ASP A 66 2.138 10.962 5.533 1.00 0.00 O ATOM 1032 OD2 ASP A 66 1.259 11.831 7.322 1.00 0.00 O ATOM 0 H ASP A 66 -0.608 7.476 7.156 1.00 0.00 H new ATOM 0 HA ASP A 66 2.143 8.390 6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.179 9.313 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.446 9.970 7.177 1.00 0.00 H new ATOM 1037 N LYS A 67 1.998 10.084 9.166 1.00 0.00 N ATOM 1038 CA LYS A 67 2.404 10.465 10.513 1.00 0.00 C ATOM 1039 C LYS A 67 1.202 10.652 11.444 1.00 0.00 C ATOM 1040 O LYS A 67 1.238 10.241 12.603 1.00 0.00 O ATOM 1041 CB LYS A 67 3.264 11.732 10.465 1.00 0.00 C ATOM 1042 CG LYS A 67 2.577 12.938 9.845 1.00 0.00 C ATOM 1043 CD LYS A 67 3.589 13.933 9.300 1.00 0.00 C ATOM 1044 CE LYS A 67 3.790 13.780 7.795 1.00 0.00 C ATOM 1045 NZ LYS A 67 3.984 12.362 7.376 1.00 0.00 N ATOM 0 H LYS A 67 2.249 10.763 8.447 1.00 0.00 H new ATOM 0 HA LYS A 67 2.999 9.650 10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.570 11.986 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.172 11.518 9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.918 12.610 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.951 13.426 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.255 14.947 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.543 13.795 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.926 14.192 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.656 14.366 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.183 12.326 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.783 11.952 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.121 11.819 7.580 1.00 0.00 H new ATOM 1059 N ASP A 68 0.127 11.238 10.926 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.069 11.485 11.734 1.00 0.00 C ATOM 1061 C ASP A 68 -1.942 10.235 11.797 1.00 0.00 C ATOM 1062 O ASP A 68 -2.981 10.217 12.453 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.870 12.660 11.161 1.00 0.00 C ATOM 1064 CG ASP A 68 -2.978 13.132 12.087 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -2.673 13.838 13.074 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -4.161 12.820 11.823 1.00 0.00 O ATOM 0 H ASP A 68 0.056 11.550 9.957 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.751 11.738 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.193 13.491 10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.304 12.365 10.206 1.00 0.00 H new ATOM 1071 N GLY A 69 -1.504 9.183 11.122 1.00 0.00 N ATOM 1072 CA GLY A 69 -2.266 7.954 11.097 1.00 0.00 C ATOM 1073 C GLY A 69 -3.243 7.911 9.942 1.00 0.00 C ATOM 1074 O GLY A 69 -4.257 7.213 10.003 1.00 0.00 O ATOM 0 H GLY A 69 -0.634 9.159 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.584 7.107 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.810 7.847 12.035 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.943 8.669 8.898 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.787 8.714 7.711 1.00 0.00 C ATOM 1080 C ASP A 70 -3.487 7.527 6.812 1.00 0.00 C ATOM 1081 O ASP A 70 -2.328 7.269 6.492 1.00 0.00 O ATOM 1082 CB ASP A 70 -3.554 10.009 6.928 1.00 0.00 C ATOM 1083 CG ASP A 70 -3.766 11.253 7.765 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -4.937 11.629 7.992 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -2.766 11.864 8.197 1.00 0.00 O ATOM 0 H ASP A 70 -2.117 9.265 8.848 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.827 8.677 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.537 10.011 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.227 10.035 6.071 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.524 6.803 6.410 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.349 5.657 5.530 1.00 0.00 C ATOM 1092 C TRP A 71 -4.913 5.946 4.148 1.00 0.00 C ATOM 1093 O TRP A 71 -6.121 6.114 3.978 1.00 0.00 O ATOM 1094 CB TRP A 71 -5.030 4.411 6.107 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.387 3.880 7.352 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.523 4.367 8.618 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.515 2.747 7.449 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -3.782 3.613 9.495 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -3.154 2.615 8.801 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -3.000 1.837 6.524 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -2.305 1.607 9.250 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -2.159 0.838 6.971 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.816 0.732 8.324 1.00 0.00 C ATOM 0 H TRP A 71 -5.490 6.989 6.678 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.279 5.469 5.448 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.072 4.647 6.322 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.031 3.627 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.125 5.221 8.891 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.711 3.771 10.500 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.255 1.913 5.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.043 1.521 10.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.759 0.126 6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.151 -0.058 8.641 1.00 0.00 H new ATOM 1114 N MET A 72 -4.026 6.004 3.170 1.00 0.00 N ATOM 1115 CA MET A 72 -4.411 6.164 1.779 1.00 0.00 C ATOM 1116 C MET A 72 -3.607 5.182 0.945 1.00 0.00 C ATOM 1117 O MET A 72 -2.744 4.493 1.483 1.00 0.00 O ATOM 1118 CB MET A 72 -4.140 7.586 1.291 1.00 0.00 C ATOM 1119 CG MET A 72 -4.646 8.680 2.217 1.00 0.00 C ATOM 1120 SD MET A 72 -3.980 10.300 1.791 1.00 0.00 S ATOM 1121 CE MET A 72 -2.219 9.985 1.939 1.00 0.00 C ATOM 0 H MET A 72 -3.019 5.941 3.318 1.00 0.00 H new ATOM 0 HA MET A 72 -5.480 5.973 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.066 7.711 1.155 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.602 7.714 0.312 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.735 8.715 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.375 8.437 3.245 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.699 10.919 2.149 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.042 9.281 2.752 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.845 9.563 1.006 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.863 5.119 -0.354 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.137 4.192 -1.210 1.00 0.00 C ATOM 1133 C LEU A 73 -1.682 4.603 -1.348 1.00 0.00 C ATOM 1134 O LEU A 73 -1.326 5.774 -1.196 1.00 0.00 O ATOM 1135 CB LEU A 73 -3.752 4.116 -2.602 1.00 0.00 C ATOM 1136 CG LEU A 73 -3.988 2.700 -3.122 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -5.148 2.068 -2.384 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -4.239 2.698 -4.621 1.00 0.00 C ATOM 0 H LEU A 73 -4.559 5.691 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.201 3.213 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.703 4.648 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.100 4.641 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.089 2.112 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.311 1.058 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.922 2.027 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.047 2.663 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.403 1.676 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.120 3.300 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.374 3.117 -5.135 1.00 0.00 H new ATOM 1150 N VAL A 74 -0.848 3.627 -1.637 1.00 0.00 N ATOM 1151 CA VAL A 74 0.553 3.880 -1.899 1.00 0.00 C ATOM 1152 C VAL A 74 0.732 4.426 -3.307 1.00 0.00 C ATOM 1153 O VAL A 74 0.299 3.817 -4.287 1.00 0.00 O ATOM 1154 CB VAL A 74 1.433 2.632 -1.682 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.641 2.400 -0.195 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.819 1.400 -2.333 1.00 0.00 C ATOM 0 H VAL A 74 -1.118 2.645 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 74 0.887 4.626 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 74 2.399 2.808 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.263 1.517 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.133 3.268 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.676 2.248 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.464 0.538 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.163 1.210 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.716 1.568 -3.405 1.00 0.00 H new ATOM 1166 N GLY A 75 1.362 5.583 -3.393 1.00 0.00 N ATOM 1167 CA GLY A 75 1.449 6.291 -4.650 1.00 0.00 C ATOM 1168 C GLY A 75 0.622 7.556 -4.620 1.00 0.00 C ATOM 1169 O GLY A 75 0.504 8.260 -5.627 1.00 0.00 O ATOM 0 H GLY A 75 1.818 6.049 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.490 6.538 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.104 5.646 -5.459 1.00 0.00 H new ATOM 1173 N ASP A 76 0.034 7.833 -3.456 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.744 9.052 -3.256 1.00 0.00 C ATOM 1175 C ASP A 76 0.156 10.274 -3.408 1.00 0.00 C ATOM 1176 O ASP A 76 -0.099 11.152 -4.234 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.405 9.049 -1.875 1.00 0.00 C ATOM 1178 CG ASP A 76 -2.419 10.166 -1.714 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -2.029 11.284 -1.316 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -3.615 9.932 -1.983 1.00 0.00 O ATOM 0 H ASP A 76 0.083 7.227 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.529 9.093 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.897 8.090 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.637 9.147 -1.108 1.00 0.00 H new ATOM 1185 N VAL A 77 1.216 10.321 -2.612 1.00 0.00 N ATOM 1186 CA VAL A 77 2.227 11.358 -2.750 1.00 0.00 C ATOM 1187 C VAL A 77 3.432 10.780 -3.496 1.00 0.00 C ATOM 1188 O VAL A 77 3.632 9.564 -3.488 1.00 0.00 O ATOM 1189 CB VAL A 77 2.659 11.935 -1.373 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.441 12.330 -0.555 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.521 10.957 -0.594 1.00 0.00 C ATOM 0 H VAL A 77 1.397 9.652 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 77 1.801 12.185 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 77 3.261 12.823 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.763 12.732 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.872 13.088 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.814 11.454 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.801 11.400 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.961 10.038 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.421 10.730 -1.166 1.00 0.00 H new ATOM 1201 N PRO A 78 4.227 11.628 -4.177 1.00 0.00 N ATOM 1202 CA PRO A 78 5.373 11.176 -4.983 1.00 0.00 C ATOM 1203 C PRO A 78 6.357 10.313 -4.194 1.00 0.00 C ATOM 1204 O PRO A 78 6.693 10.633 -3.054 1.00 0.00 O ATOM 1205 CB PRO A 78 6.048 12.480 -5.434 1.00 0.00 C ATOM 1206 CG PRO A 78 5.459 13.551 -4.579 1.00 0.00 C ATOM 1207 CD PRO A 78 4.075 13.090 -4.231 1.00 0.00 C ATOM 0 HA PRO A 78 5.046 10.543 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.129 12.427 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.861 12.674 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.056 13.705 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.431 14.503 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.740 13.498 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.346 13.394 -4.982 1.00 0.00 H new ATOM 1215 N TRP A 79 6.811 9.230 -4.832 1.00 0.00 N ATOM 1216 CA TRP A 79 7.660 8.207 -4.212 1.00 0.00 C ATOM 1217 C TRP A 79 8.730 8.779 -3.282 1.00 0.00 C ATOM 1218 O TRP A 79 8.822 8.371 -2.125 1.00 0.00 O ATOM 1219 CB TRP A 79 8.329 7.383 -5.311 1.00 0.00 C ATOM 1220 CG TRP A 79 9.091 6.198 -4.802 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.440 6.106 -4.604 1.00 0.00 C ATOM 1222 CD2 TRP A 79 8.546 4.932 -4.435 1.00 0.00 C ATOM 1223 NE1 TRP A 79 10.762 4.854 -4.140 1.00 0.00 N ATOM 1224 CE2 TRP A 79 9.617 4.114 -4.029 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.252 4.408 -4.411 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.431 2.804 -3.607 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 7.071 3.112 -3.992 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.154 2.318 -3.597 1.00 0.00 C ATOM 0 H TRP A 79 6.596 9.036 -5.810 1.00 0.00 H new ATOM 0 HA TRP A 79 7.011 7.589 -3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.566 7.039 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.008 8.026 -5.871 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.149 6.901 -4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 79 11.702 4.529 -3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.409 5.010 -4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.265 2.192 -3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 6.074 2.698 -3.967 1.00 0.00 H new ATOM 0 HH2 TRP A 79 7.977 1.301 -3.278 1.00 0.00 H new ATOM 1239 N ASP A 80 9.525 9.724 -3.781 1.00 0.00 N ATOM 1240 CA ASP A 80 10.630 10.302 -3.001 1.00 0.00 C ATOM 1241 C ASP A 80 10.161 10.785 -1.632 1.00 0.00 C ATOM 1242 O ASP A 80 10.814 10.544 -0.615 1.00 0.00 O ATOM 1243 CB ASP A 80 11.263 11.469 -3.764 1.00 0.00 C ATOM 1244 CG ASP A 80 12.354 12.166 -2.971 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.521 11.721 -3.035 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.055 13.171 -2.292 1.00 0.00 O ATOM 0 H ASP A 80 9.429 10.109 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 80 11.370 9.516 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.680 11.101 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.489 12.192 -4.021 1.00 0.00 H new ATOM 1251 N MET A 81 9.012 11.441 -1.614 1.00 0.00 N ATOM 1252 CA MET A 81 8.438 11.962 -0.381 1.00 0.00 C ATOM 1253 C MET A 81 7.652 10.877 0.340 1.00 0.00 C ATOM 1254 O MET A 81 7.475 10.922 1.556 1.00 0.00 O ATOM 1255 CB MET A 81 7.513 13.142 -0.688 1.00 0.00 C ATOM 1256 CG MET A 81 8.211 14.310 -1.362 1.00 0.00 C ATOM 1257 SD MET A 81 7.053 15.560 -1.961 1.00 0.00 S ATOM 1258 CE MET A 81 6.196 15.986 -0.447 1.00 0.00 C ATOM 0 H MET A 81 8.453 11.627 -2.447 1.00 0.00 H new ATOM 0 HA MET A 81 9.252 12.298 0.261 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.701 12.798 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.061 13.488 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.904 14.770 -0.657 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.805 13.940 -2.198 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.646 16.916 -0.590 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.500 15.189 -0.186 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.920 16.113 0.358 1.00 0.00 H new ATOM 1268 N PHE A 82 7.195 9.898 -0.427 1.00 0.00 N ATOM 1269 CA PHE A 82 6.306 8.869 0.083 1.00 0.00 C ATOM 1270 C PHE A 82 7.014 7.952 1.063 1.00 0.00 C ATOM 1271 O PHE A 82 6.432 7.533 2.062 1.00 0.00 O ATOM 1272 CB PHE A 82 5.735 8.025 -1.060 1.00 0.00 C ATOM 1273 CG PHE A 82 4.512 7.266 -0.651 1.00 0.00 C ATOM 1274 CD1 PHE A 82 4.607 6.106 0.105 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.261 7.743 -0.990 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.462 5.448 0.517 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.122 7.089 -0.593 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.218 5.946 0.163 1.00 0.00 C ATOM 0 H PHE A 82 7.429 9.796 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 82 5.496 9.382 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.492 8.674 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.495 7.325 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.578 5.716 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.178 8.646 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.537 4.550 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.152 7.472 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.322 5.434 0.482 1.00 0.00 H new ATOM 1288 N VAL A 83 8.266 7.641 0.780 1.00 0.00 N ATOM 1289 CA VAL A 83 8.981 6.646 1.560 1.00 0.00 C ATOM 1290 C VAL A 83 9.096 7.062 3.020 1.00 0.00 C ATOM 1291 O VAL A 83 8.900 6.252 3.925 1.00 0.00 O ATOM 1292 CB VAL A 83 10.392 6.382 1.020 1.00 0.00 C ATOM 1293 CG1 VAL A 83 10.905 5.077 1.581 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.410 6.357 -0.496 1.00 0.00 C ATOM 0 H VAL A 83 8.806 8.059 0.022 1.00 0.00 H new ATOM 0 HA VAL A 83 8.395 5.731 1.479 1.00 0.00 H new ATOM 0 HB VAL A 83 11.045 7.195 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.908 4.886 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.936 5.136 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.242 4.266 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.425 6.168 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.750 5.567 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.068 7.318 -0.880 1.00 0.00 H new ATOM 1304 N THR A 84 9.402 8.326 3.240 1.00 0.00 N ATOM 1305 CA THR A 84 9.537 8.853 4.584 1.00 0.00 C ATOM 1306 C THR A 84 8.163 9.120 5.197 1.00 0.00 C ATOM 1307 O THR A 84 8.024 9.306 6.405 1.00 0.00 O ATOM 1308 CB THR A 84 10.379 10.139 4.562 1.00 0.00 C ATOM 1309 OG1 THR A 84 9.826 11.065 3.619 1.00 0.00 O ATOM 1310 CG2 THR A 84 11.817 9.822 4.174 1.00 0.00 C ATOM 0 H THR A 84 9.563 9.010 2.501 1.00 0.00 H new ATOM 0 HA THR A 84 10.045 8.112 5.201 1.00 0.00 H new ATOM 0 HB THR A 84 10.367 10.581 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.365 11.883 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.402 10.742 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.245 9.129 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.835 9.368 3.183 1.00 0.00 H new ATOM 1318 N SER A 85 7.151 9.112 4.341 1.00 0.00 N ATOM 1319 CA SER A 85 5.774 9.327 4.753 1.00 0.00 C ATOM 1320 C SER A 85 5.169 8.036 5.308 1.00 0.00 C ATOM 1321 O SER A 85 4.344 8.070 6.223 1.00 0.00 O ATOM 1322 CB SER A 85 4.966 9.840 3.547 1.00 0.00 C ATOM 1323 OG SER A 85 3.568 9.775 3.761 1.00 0.00 O ATOM 0 H SER A 85 7.264 8.956 3.339 1.00 0.00 H new ATOM 0 HA SER A 85 5.743 10.071 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.250 10.871 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.223 9.252 2.666 1.00 0.00 H new ATOM 0 HG SER A 85 3.302 10.471 4.398 1.00 0.00 H new ATOM 1329 N CYS A 86 5.614 6.899 4.789 1.00 0.00 N ATOM 1330 CA CYS A 86 5.042 5.620 5.179 1.00 0.00 C ATOM 1331 C CYS A 86 5.703 5.051 6.421 1.00 0.00 C ATOM 1332 O CYS A 86 6.927 5.004 6.539 1.00 0.00 O ATOM 1333 CB CYS A 86 5.115 4.620 4.025 1.00 0.00 C ATOM 1334 SG CYS A 86 4.466 2.979 4.423 1.00 0.00 S ATOM 0 H CYS A 86 6.365 6.837 4.101 1.00 0.00 H new ATOM 0 HA CYS A 86 3.995 5.799 5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.561 5.021 3.176 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.154 4.521 3.710 1.00 0.00 H new ATOM 0 HG CYS A 86 4.914 2.605 5.585 1.00 0.00 H new ATOM 1340 N LYS A 87 4.860 4.633 7.351 1.00 0.00 N ATOM 1341 CA LYS A 87 5.309 4.056 8.615 1.00 0.00 C ATOM 1342 C LYS A 87 4.798 2.628 8.754 1.00 0.00 C ATOM 1343 O LYS A 87 5.485 1.749 9.271 1.00 0.00 O ATOM 1344 CB LYS A 87 4.805 4.889 9.792 1.00 0.00 C ATOM 1345 CG LYS A 87 5.002 6.383 9.620 1.00 0.00 C ATOM 1346 CD LYS A 87 4.631 7.165 10.877 1.00 0.00 C ATOM 1347 CE LYS A 87 3.221 6.849 11.363 1.00 0.00 C ATOM 1348 NZ LYS A 87 3.186 5.667 12.267 1.00 0.00 N ATOM 0 H LYS A 87 3.846 4.682 7.255 1.00 0.00 H new ATOM 0 HA LYS A 87 6.399 4.053 8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.744 4.687 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.319 4.567 10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.043 6.583 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.396 6.733 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.345 6.936 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.712 8.233 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.817 7.716 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.576 6.666 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.474 4.990 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.120 5.211 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.939 5.973 13.230 1.00 0.00 H new ATOM 1362 N ARG A 88 3.582 2.411 8.274 1.00 0.00 N ATOM 1363 CA ARG A 88 2.926 1.111 8.348 1.00 0.00 C ATOM 1364 C ARG A 88 2.205 0.849 7.041 1.00 0.00 C ATOM 1365 O ARG A 88 1.826 1.789 6.344 1.00 0.00 O ATOM 1366 CB ARG A 88 1.911 1.062 9.495 1.00 0.00 C ATOM 1367 CG ARG A 88 2.514 1.164 10.886 1.00 0.00 C ATOM 1368 CD ARG A 88 1.424 1.207 11.944 1.00 0.00 C ATOM 1369 NE ARG A 88 1.962 1.257 13.301 1.00 0.00 N ATOM 1370 CZ ARG A 88 1.374 1.899 14.309 1.00 0.00 C ATOM 1371 NH1 ARG A 88 0.278 2.621 14.099 1.00 0.00 N ATOM 1372 NH2 ARG A 88 1.899 1.846 15.526 1.00 0.00 N ATOM 0 H ARG A 88 3.020 3.132 7.821 1.00 0.00 H new ATOM 0 HA ARG A 88 3.687 0.352 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.197 1.875 9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.350 0.130 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.169 0.312 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.130 2.060 10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.792 2.079 11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.788 0.328 11.841 1.00 0.00 H new ATOM 0 HE ARG A 88 2.840 0.772 13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.118 2.686 13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.167 3.110 14.876 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.753 1.313 15.690 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.448 2.338 16.298 1.00 0.00 H new ATOM 1386 N LEU A 89 2.032 -0.416 6.702 1.00 0.00 N ATOM 1387 CA LEU A 89 1.455 -0.783 5.426 1.00 0.00 C ATOM 1388 C LEU A 89 0.330 -1.799 5.587 1.00 0.00 C ATOM 1389 O LEU A 89 0.493 -2.829 6.223 1.00 0.00 O ATOM 1390 CB LEU A 89 2.558 -1.383 4.580 1.00 0.00 C ATOM 1391 CG LEU A 89 2.354 -1.330 3.073 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.388 0.107 2.590 1.00 0.00 C ATOM 1393 CD2 LEU A 89 3.428 -2.136 2.379 1.00 0.00 C ATOM 0 H LEU A 89 2.284 -1.206 7.296 1.00 0.00 H new ATOM 0 HA LEU A 89 1.029 0.104 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.490 -0.870 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.685 -2.425 4.872 1.00 0.00 H new ATOM 0 HG LEU A 89 1.380 -1.757 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.241 0.131 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.594 0.674 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.353 0.550 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.275 -2.093 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.407 -1.724 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.377 -3.173 2.712 1.00 0.00 H new ATOM 1405 N ARG A 90 -0.821 -1.517 5.029 1.00 0.00 N ATOM 1406 CA ARG A 90 -1.872 -2.511 4.991 1.00 0.00 C ATOM 1407 C ARG A 90 -2.600 -2.477 3.666 1.00 0.00 C ATOM 1408 O ARG A 90 -3.027 -1.428 3.205 1.00 0.00 O ATOM 1409 CB ARG A 90 -2.854 -2.337 6.142 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.083 -3.218 6.015 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.129 -2.860 7.052 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.531 -1.452 6.964 1.00 0.00 N ATOM 1413 CZ ARG A 90 -5.718 -0.660 8.023 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -5.496 -1.114 9.252 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -6.119 0.593 7.852 1.00 0.00 N ATOM 0 H ARG A 90 -1.055 -0.622 4.600 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.398 -3.486 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.348 -2.563 7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.166 -1.294 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.507 -3.112 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.797 -4.263 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.004 -3.496 6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.736 -3.063 8.048 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.677 -1.053 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.180 -2.074 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.641 -0.503 10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.285 0.952 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.262 1.198 8.661 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.741 -3.630 3.065 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.488 -3.756 1.832 1.00 0.00 C ATOM 1431 C ILE A 91 -4.757 -4.488 2.126 1.00 0.00 C ATOM 1432 O ILE A 91 -4.711 -5.539 2.741 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.736 -4.572 0.804 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.293 -4.078 0.680 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.478 -4.533 -0.524 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.316 -5.152 0.265 1.00 0.00 C ATOM 0 H ILE A 91 -2.346 -4.505 3.410 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.662 -2.754 1.439 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.687 -5.612 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.258 -3.267 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.977 -3.662 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.934 -5.122 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.478 -4.948 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.555 -3.501 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.685 -4.727 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.321 -5.954 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.606 -5.552 -0.707 1.00 0.00 H new ATOM 1448 N MET A 92 -5.866 -3.977 1.655 1.00 0.00 N ATOM 1449 CA MET A 92 -7.149 -4.482 2.093 1.00 0.00 C ATOM 1450 C MET A 92 -8.173 -4.617 0.993 1.00 0.00 C ATOM 1451 O MET A 92 -8.254 -3.790 0.088 1.00 0.00 O ATOM 1452 CB MET A 92 -7.703 -3.618 3.221 1.00 0.00 C ATOM 1453 CG MET A 92 -7.272 -2.162 3.174 1.00 0.00 C ATOM 1454 SD MET A 92 -7.859 -1.242 4.606 1.00 0.00 S ATOM 1455 CE MET A 92 -7.217 0.382 4.241 1.00 0.00 C ATOM 0 H MET A 92 -5.911 -3.219 0.974 1.00 0.00 H new ATOM 0 HA MET A 92 -6.959 -5.494 2.451 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.792 -3.662 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 92 -7.391 -4.045 4.174 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.184 -2.107 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 92 -7.654 -1.699 2.264 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.462 0.649 4.980 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.768 0.381 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.028 1.109 4.272 1.00 0.00 H new ATOM 1465 N LYS A 93 -8.939 -5.708 1.097 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.065 -5.971 0.219 1.00 0.00 C ATOM 1467 C LYS A 93 -10.953 -4.732 0.113 1.00 0.00 C ATOM 1468 O LYS A 93 -11.170 -4.026 1.100 1.00 0.00 O ATOM 1469 CB LYS A 93 -10.870 -7.153 0.772 1.00 0.00 C ATOM 1470 CG LYS A 93 -11.442 -8.050 -0.312 1.00 0.00 C ATOM 1471 CD LYS A 93 -12.422 -9.082 0.237 1.00 0.00 C ATOM 1472 CE LYS A 93 -11.749 -10.390 0.658 1.00 0.00 C ATOM 1473 NZ LYS A 93 -10.827 -10.232 1.816 1.00 0.00 N ATOM 0 H LYS A 93 -8.788 -6.432 1.799 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.697 -6.217 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.229 -7.746 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -11.686 -6.772 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.947 -7.436 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.627 -8.564 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.944 -8.657 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.176 -9.296 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.517 -11.121 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.193 -10.793 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.789 -11.121 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.875 -9.995 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.172 -9.469 2.433 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.452 -4.489 -1.097 1.00 0.00 N ATOM 1488 CA GLY A 94 -12.121 -3.237 -1.431 1.00 0.00 C ATOM 1489 C GLY A 94 -13.272 -2.891 -0.521 1.00 0.00 C ATOM 1490 O GLY A 94 -13.590 -1.717 -0.326 1.00 0.00 O ATOM 0 H GLY A 94 -11.404 -5.153 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.391 -2.428 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.487 -3.296 -2.456 1.00 0.00 H new ATOM 1494 N THR A 95 -13.892 -3.915 0.024 1.00 0.00 N ATOM 1495 CA THR A 95 -15.027 -3.757 0.926 1.00 0.00 C ATOM 1496 C THR A 95 -14.606 -3.078 2.240 1.00 0.00 C ATOM 1497 O THR A 95 -15.445 -2.645 3.030 1.00 0.00 O ATOM 1498 CB THR A 95 -15.681 -5.133 1.215 1.00 0.00 C ATOM 1499 OG1 THR A 95 -16.889 -4.978 1.970 1.00 0.00 O ATOM 1500 CG2 THR A 95 -14.724 -6.048 1.966 1.00 0.00 C ATOM 0 H THR A 95 -13.627 -4.886 -0.142 1.00 0.00 H new ATOM 0 HA THR A 95 -15.758 -3.114 0.436 1.00 0.00 H new ATOM 0 HB THR A 95 -15.920 -5.588 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.797 -4.218 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.209 -7.006 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.828 -6.207 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.449 -5.587 2.915 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.300 -2.989 2.465 1.00 0.00 N ATOM 1509 CA GLU A 96 -12.768 -2.373 3.672 1.00 0.00 C ATOM 1510 C GLU A 96 -12.265 -0.950 3.405 1.00 0.00 C ATOM 1511 O GLU A 96 -12.655 -0.006 4.090 1.00 0.00 O ATOM 1512 CB GLU A 96 -11.642 -3.246 4.235 1.00 0.00 C ATOM 1513 CG GLU A 96 -10.953 -2.667 5.459 1.00 0.00 C ATOM 1514 CD GLU A 96 -11.916 -2.347 6.583 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -12.913 -3.083 6.751 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -11.675 -1.364 7.312 1.00 0.00 O ATOM 0 H GLU A 96 -12.588 -3.338 1.823 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.572 -2.299 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.050 -4.224 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.897 -3.405 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -10.206 -3.375 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.421 -1.759 5.174 1.00 0.00 H new ATOM 1523 N ALA A 97 -11.420 -0.803 2.389 1.00 0.00 N ATOM 1524 CA ALA A 97 -10.739 0.467 2.121 1.00 0.00 C ATOM 1525 C ALA A 97 -11.701 1.570 1.694 1.00 0.00 C ATOM 1526 O ALA A 97 -11.412 2.757 1.864 1.00 0.00 O ATOM 1527 CB ALA A 97 -9.673 0.270 1.061 1.00 0.00 C ATOM 0 H ALA A 97 -11.187 -1.549 1.733 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.278 0.787 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.172 1.219 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.944 -0.461 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.136 -0.089 0.142 1.00 0.00 H new ATOM 1533 N LYS A 98 -12.843 1.170 1.161 1.00 0.00 N ATOM 1534 CA LYS A 98 -13.840 2.106 0.651 1.00 0.00 C ATOM 1535 C LYS A 98 -14.294 3.106 1.719 1.00 0.00 C ATOM 1536 O LYS A 98 -14.676 4.230 1.403 1.00 0.00 O ATOM 1537 CB LYS A 98 -15.043 1.330 0.112 1.00 0.00 C ATOM 1538 CG LYS A 98 -15.698 0.424 1.146 1.00 0.00 C ATOM 1539 CD LYS A 98 -16.735 -0.500 0.525 1.00 0.00 C ATOM 1540 CE LYS A 98 -17.904 0.271 -0.059 1.00 0.00 C ATOM 1541 NZ LYS A 98 -18.891 -0.633 -0.702 1.00 0.00 N ATOM 0 H LYS A 98 -13.108 0.190 1.068 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.378 2.680 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.784 2.038 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.724 0.726 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.932 -0.173 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.172 1.035 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.267 -1.097 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.100 -1.195 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.394 0.842 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.537 0.989 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.676 -0.071 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.430 -1.160 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.260 -1.302 0.003 1.00 0.00 H new ATOM 1555 N GLY A 99 -14.244 2.697 2.981 1.00 0.00 N ATOM 1556 CA GLY A 99 -14.731 3.537 4.050 1.00 0.00 C ATOM 1557 C GLY A 99 -13.747 4.612 4.476 1.00 0.00 C ATOM 1558 O GLY A 99 -14.147 5.728 4.807 1.00 0.00 O ATOM 0 H GLY A 99 -13.873 1.795 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.660 4.012 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.969 2.913 4.911 1.00 0.00 H new ATOM 1562 N LEU A 100 -12.464 4.285 4.476 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.451 5.191 5.005 1.00 0.00 C ATOM 1564 C LEU A 100 -10.641 5.866 3.910 1.00 0.00 C ATOM 1565 O LEU A 100 -9.571 6.415 4.175 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.531 4.491 6.008 1.00 0.00 C ATOM 1567 CG LEU A 100 -9.573 3.424 5.464 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -8.416 3.239 6.433 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.284 2.093 5.261 1.00 0.00 C ATOM 0 H LEU A 100 -12.098 3.403 4.117 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.994 5.975 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.935 5.255 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.156 4.025 6.770 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.201 3.762 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.735 2.481 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.882 4.182 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.800 2.921 7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.578 1.358 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.685 1.746 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.100 2.221 4.549 1.00 0.00 H new