USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 854 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 23 MET CE :methyl -165:sc= -0.809 (180deg=-1.27) USER MOD Set 1.2: A 103 THR OG1 : rot -170:sc= -0.526 USER MOD Set 2.1: A 14 TYR OH : rot -127:sc= -0.126 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -1.19 K(o=-1.3,f=-7!) USER MOD Single : A 13 SER OG : rot 37:sc= 0.0523 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 30:sc= 1.08 USER MOD Single : A 28 SER OG : rot 78:sc= 0.5 USER MOD Single : A 29 SER OG : rot 130:sc= -0.182 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.194 F(o=-0.98,f=-0.19) USER MOD Single : A 41 SER OG : rot -3:sc= -1.14 USER MOD Single : A 46 CYS SG : rot 180:sc= -4.07! USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 1.19 (180deg=1.15) USER MOD Single : A 49 MET CE :methyl 157:sc= -0.184 (180deg=-0.818) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.902 F(o=-4.1,f=-0.9) USER MOD Single : A 67 LYS NZ :NH3+ 135:sc= 0.664 (180deg=-0.127) USER MOD Single : A 69 LYS NZ :NH3+ 141:sc= -1.36 (180deg=-3.61!) USER MOD Single : A 75 CYS SG : rot -133:sc= -1.25! USER MOD Single : A 76 TYR OH : rot -38:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 141:sc= 0.838 (180deg=-0.51) USER MOD Single : A 83 TYR OH : rot 105:sc= -0.0381 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0.744 (180deg=0.473) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 91 HIS : no HD1:sc= -4.48 X(o=-4.5,f=-4.9!) USER MOD Single : A 92 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ 143:sc= 1.12 (180deg=0.457) USER MOD Single : A 97 ASN : amide:sc= -0.0798 K(o=-0.08,f=-0.59) USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= 2.45 (180deg=1.2) USER MOD Single : A 105 GLN : amide:sc= 0.00393 X(o=0.0039,f=-0.17) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -132:sc= -0.334 (180deg=-0.865) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 1.178 13.276 -7.719 1.00 0.00 N ATOM 164 CA SER A 13 0.332 12.294 -8.402 1.00 0.00 C ATOM 165 C SER A 13 -0.073 11.143 -7.474 1.00 0.00 C ATOM 166 O SER A 13 -0.349 10.036 -7.940 1.00 0.00 O ATOM 167 CB SER A 13 1.066 11.739 -9.632 1.00 0.00 C ATOM 168 OG SER A 13 1.366 12.769 -10.562 1.00 0.00 O ATOM 0 HA SER A 13 -0.580 12.803 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.988 11.250 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.450 10.979 -10.114 1.00 0.00 H new ATOM 0 HG SER A 13 1.610 13.586 -10.078 1.00 0.00 H new ATOM 174 N TYR A 14 -0.127 11.394 -6.168 1.00 0.00 N ATOM 175 CA TYR A 14 -0.576 10.372 -5.220 1.00 0.00 C ATOM 176 C TYR A 14 -2.087 10.171 -5.313 1.00 0.00 C ATOM 177 O TYR A 14 -2.859 11.122 -5.157 1.00 0.00 O ATOM 178 CB TYR A 14 -0.196 10.737 -3.778 1.00 0.00 C ATOM 179 CG TYR A 14 1.176 10.248 -3.356 1.00 0.00 C ATOM 180 CD1 TYR A 14 1.382 8.920 -2.997 1.00 0.00 C ATOM 181 CD2 TYR A 14 2.259 11.112 -3.302 1.00 0.00 C ATOM 182 CE1 TYR A 14 2.627 8.476 -2.594 1.00 0.00 C ATOM 183 CE2 TYR A 14 3.503 10.675 -2.906 1.00 0.00 C ATOM 184 CZ TYR A 14 3.682 9.360 -2.552 1.00 0.00 C ATOM 185 OH TYR A 14 4.919 8.931 -2.147 1.00 0.00 O ATOM 0 H TYR A 14 0.131 12.285 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.073 9.443 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.233 11.821 -3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.942 10.321 -3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.556 8.225 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.124 12.148 -3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.772 7.443 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.335 11.363 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 14 5.244 9.506 -1.423 1.00 0.00 H new ATOM 195 N ILE A 15 -2.498 8.933 -5.576 1.00 0.00 N ATOM 196 CA ILE A 15 -3.914 8.574 -5.568 1.00 0.00 C ATOM 197 C ILE A 15 -4.340 8.239 -4.138 1.00 0.00 C ATOM 198 O ILE A 15 -5.504 8.402 -3.763 1.00 0.00 O ATOM 199 CB ILE A 15 -4.209 7.376 -6.517 1.00 0.00 C ATOM 200 CG1 ILE A 15 -5.720 7.095 -6.588 1.00 0.00 C ATOM 201 CG2 ILE A 15 -3.444 6.126 -6.078 1.00 0.00 C ATOM 202 CD1 ILE A 15 -6.097 5.970 -7.534 1.00 0.00 C ATOM 0 H ILE A 15 -1.870 8.161 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.488 9.425 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.866 7.646 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.081 6.851 -5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.234 8.005 -6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.668 5.304 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.373 6.330 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.744 5.852 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.179 5.835 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.769 6.218 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.614 5.047 -7.213 1.00 0.00 H new ATOM 214 N VAL A 16 -3.373 7.784 -3.341 1.00 0.00 N ATOM 215 CA VAL A 16 -3.593 7.493 -1.926 1.00 0.00 C ATOM 216 C VAL A 16 -2.260 7.497 -1.181 1.00 0.00 C ATOM 217 O VAL A 16 -1.235 7.114 -1.746 1.00 0.00 O ATOM 218 CB VAL A 16 -4.302 6.122 -1.731 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.464 4.977 -2.304 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.623 5.873 -0.254 1.00 0.00 C ATOM 0 H VAL A 16 -2.419 7.608 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.242 8.269 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.242 6.157 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.986 4.032 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.309 5.138 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.499 4.943 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.118 4.908 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.699 5.873 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.281 6.661 0.113 1.00 0.00 H new ATOM 230 N ARG A 17 -2.268 7.957 0.067 1.00 0.00 N ATOM 231 CA ARG A 17 -1.072 7.931 0.909 1.00 0.00 C ATOM 232 C ARG A 17 -1.455 8.041 2.382 1.00 0.00 C ATOM 233 O ARG A 17 -1.900 9.095 2.847 1.00 0.00 O ATOM 234 CB ARG A 17 -0.092 9.055 0.521 1.00 0.00 C ATOM 235 CG ARG A 17 1.243 8.981 1.268 1.00 0.00 C ATOM 236 CD ARG A 17 2.265 9.983 0.737 1.00 0.00 C ATOM 237 NE ARG A 17 1.829 11.371 0.909 1.00 0.00 N ATOM 238 CZ ARG A 17 2.538 12.436 0.525 1.00 0.00 C ATOM 239 NH1 ARG A 17 3.753 12.287 -0.003 1.00 0.00 N ATOM 240 NH2 ARG A 17 2.035 13.652 0.696 1.00 0.00 N ATOM 0 H ARG A 17 -3.091 8.354 0.520 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.569 6.978 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.097 9.008 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.559 10.019 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.073 9.167 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.649 7.973 1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.214 9.837 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.443 9.790 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 17 0.925 11.535 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.149 11.354 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.287 13.106 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.114 13.768 1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.570 14.471 0.406 1.00 0.00 H new ATOM 254 N VAL A 18 -1.288 6.940 3.107 1.00 0.00 N ATOM 255 CA VAL A 18 -1.622 6.874 4.526 1.00 0.00 C ATOM 256 C VAL A 18 -0.351 6.702 5.357 1.00 0.00 C ATOM 257 O VAL A 18 0.760 6.820 4.835 1.00 0.00 O ATOM 258 CB VAL A 18 -2.599 5.703 4.819 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.915 5.892 4.064 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.959 4.355 4.472 1.00 0.00 C ATOM 0 H VAL A 18 -0.918 6.068 2.728 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.113 7.808 4.799 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.818 5.706 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.584 5.060 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.383 6.826 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.718 5.925 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.664 3.552 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.700 4.337 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.058 4.216 5.069 1.00 0.00 H new ATOM 270 N LYS A 19 -0.512 6.428 6.648 1.00 0.00 N ATOM 271 CA LYS A 19 0.625 6.211 7.534 1.00 0.00 C ATOM 272 C LYS A 19 0.484 4.873 8.265 1.00 0.00 C ATOM 273 O LYS A 19 -0.424 4.684 9.075 1.00 0.00 O ATOM 274 CB LYS A 19 0.773 7.381 8.522 1.00 0.00 C ATOM 275 CG LYS A 19 -0.484 7.696 9.332 1.00 0.00 C ATOM 276 CD LYS A 19 -0.271 8.905 10.242 1.00 0.00 C ATOM 277 CE LYS A 19 -1.519 9.241 11.052 1.00 0.00 C ATOM 278 NZ LYS A 19 -1.317 10.447 11.901 1.00 0.00 N ATOM 0 H LYS A 19 -1.421 6.351 7.104 1.00 0.00 H new ATOM 0 HA LYS A 19 1.534 6.169 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.586 7.155 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.064 8.273 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.316 7.890 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.758 6.829 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.558 8.706 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.012 9.767 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.357 9.408 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.783 8.392 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.186 10.644 12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.533 10.278 12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.090 11.263 11.297 1.00 0.00 H new ATOM 292 N ALA A 20 1.386 3.947 7.951 1.00 0.00 N ATOM 293 CA ALA A 20 1.362 2.600 8.516 1.00 0.00 C ATOM 294 C ALA A 20 2.784 2.100 8.757 1.00 0.00 C ATOM 295 O ALA A 20 3.747 2.801 8.449 1.00 0.00 O ATOM 296 CB ALA A 20 0.615 1.656 7.578 1.00 0.00 C ATOM 0 H ALA A 20 2.153 4.108 7.299 1.00 0.00 H new ATOM 0 HA ALA A 20 0.842 2.627 9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.601 0.654 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.408 2.008 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.118 1.631 6.611 1.00 0.00 H new ATOM 302 N VAL A 21 2.912 0.896 9.307 1.00 0.00 N ATOM 303 CA VAL A 21 4.223 0.310 9.582 1.00 0.00 C ATOM 304 C VAL A 21 4.784 -0.359 8.331 1.00 0.00 C ATOM 305 O VAL A 21 4.068 -1.079 7.634 1.00 0.00 O ATOM 306 CB VAL A 21 4.155 -0.749 10.710 1.00 0.00 C ATOM 307 CG1 VAL A 21 5.557 -1.229 11.085 1.00 0.00 C ATOM 308 CG2 VAL A 21 3.418 -0.203 11.930 1.00 0.00 C ATOM 0 H VAL A 21 2.124 0.305 9.572 1.00 0.00 H new ATOM 0 HA VAL A 21 4.871 1.127 9.899 1.00 0.00 H new ATOM 0 HB VAL A 21 3.592 -1.605 10.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.487 -1.972 11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.035 -1.674 10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.151 -0.383 11.431 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.385 -0.967 12.707 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.941 0.676 12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.402 0.072 11.648 1.00 0.00 H new ATOM 318 N VAL A 22 6.060 -0.124 8.050 1.00 0.00 N ATOM 319 CA VAL A 22 6.726 -0.757 6.916 1.00 0.00 C ATOM 320 C VAL A 22 7.470 -2.021 7.357 1.00 0.00 C ATOM 321 O VAL A 22 8.610 -1.966 7.835 1.00 0.00 O ATOM 322 CB VAL A 22 7.693 0.224 6.200 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.905 1.276 5.427 1.00 0.00 C ATOM 324 CG2 VAL A 22 8.632 0.897 7.198 1.00 0.00 C ATOM 0 H VAL A 22 6.656 0.501 8.592 1.00 0.00 H new ATOM 0 HA VAL A 22 5.954 -1.041 6.201 1.00 0.00 H new ATOM 0 HB VAL A 22 8.298 -0.351 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.597 1.957 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.279 0.786 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.275 1.838 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.298 1.578 6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.047 1.456 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.223 0.138 7.711 1.00 0.00 H new ATOM 334 N MET A 23 6.802 -3.159 7.206 1.00 0.00 N ATOM 335 CA MET A 23 7.357 -4.448 7.613 1.00 0.00 C ATOM 336 C MET A 23 8.198 -5.049 6.495 1.00 0.00 C ATOM 337 O MET A 23 8.055 -4.679 5.328 1.00 0.00 O ATOM 338 CB MET A 23 6.238 -5.435 7.982 1.00 0.00 C ATOM 339 CG MET A 23 5.421 -5.033 9.202 1.00 0.00 C ATOM 340 SD MET A 23 6.394 -5.025 10.721 1.00 0.00 S ATOM 341 CE MET A 23 5.114 -4.724 11.939 1.00 0.00 C ATOM 0 H MET A 23 5.867 -3.216 6.801 1.00 0.00 H new ATOM 0 HA MET A 23 7.985 -4.273 8.487 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.567 -5.540 7.129 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.680 -6.415 8.163 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.999 -4.041 9.041 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.583 -5.721 9.316 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.572 -4.428 12.883 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.458 -3.927 11.588 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.532 -5.634 12.088 1.00 0.00 H new ATOM 351 N THR A 24 9.067 -5.976 6.859 1.00 0.00 N ATOM 352 CA THR A 24 9.846 -6.723 5.889 1.00 0.00 C ATOM 353 C THR A 24 10.368 -8.006 6.522 1.00 0.00 C ATOM 354 O THR A 24 10.559 -8.078 7.737 1.00 0.00 O ATOM 355 CB THR A 24 11.030 -5.889 5.329 1.00 0.00 C ATOM 356 OG1 THR A 24 11.703 -6.619 4.290 1.00 0.00 O ATOM 357 CG2 THR A 24 12.027 -5.524 6.428 1.00 0.00 C ATOM 0 H THR A 24 9.251 -6.230 7.829 1.00 0.00 H new ATOM 0 HA THR A 24 9.189 -6.965 5.053 1.00 0.00 H new ATOM 0 HB THR A 24 10.620 -4.966 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.064 -7.208 3.837 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.842 -4.941 6.000 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.524 -4.936 7.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.427 -6.435 6.873 1.00 0.00 H new ATOM 365 N ARG A 25 10.550 -9.027 5.700 1.00 0.00 N ATOM 366 CA ARG A 25 11.203 -10.251 6.127 1.00 0.00 C ATOM 367 C ARG A 25 12.508 -10.366 5.361 1.00 0.00 C ATOM 368 O ARG A 25 12.541 -10.910 4.256 1.00 0.00 O ATOM 369 CB ARG A 25 10.295 -11.471 5.901 1.00 0.00 C ATOM 370 CG ARG A 25 10.848 -12.760 6.503 1.00 0.00 C ATOM 371 CD ARG A 25 9.772 -13.832 6.653 1.00 0.00 C ATOM 372 NE ARG A 25 9.268 -14.312 5.365 1.00 0.00 N ATOM 373 CZ ARG A 25 8.139 -15.013 5.223 1.00 0.00 C ATOM 374 NH1 ARG A 25 7.406 -15.321 6.286 1.00 0.00 N ATOM 375 NH2 ARG A 25 7.751 -15.416 4.021 1.00 0.00 N ATOM 0 H ARG A 25 10.251 -9.030 4.725 1.00 0.00 H new ATOM 0 HA ARG A 25 11.407 -10.222 7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.314 -11.269 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.149 -11.612 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.651 -13.139 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.284 -12.546 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.179 -14.673 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.943 -13.430 7.236 1.00 0.00 H new ATOM 0 HE ARG A 25 9.810 -14.099 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.704 -15.023 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.545 -15.856 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.315 -15.191 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.889 -15.951 3.916 1.00 0.00 H new ATOM 389 N ASP A 26 13.558 -9.794 5.953 1.00 0.00 N ATOM 390 CA ASP A 26 14.849 -9.593 5.289 1.00 0.00 C ATOM 391 C ASP A 26 15.288 -10.819 4.487 1.00 0.00 C ATOM 392 O ASP A 26 15.843 -11.771 5.045 1.00 0.00 O ATOM 393 CB ASP A 26 15.927 -9.207 6.314 1.00 0.00 C ATOM 394 CG ASP A 26 17.309 -9.074 5.686 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.492 -8.191 4.818 1.00 0.00 O ATOM 396 OD2 ASP A 26 18.225 -9.838 6.065 1.00 0.00 O ATOM 0 H ASP A 26 13.537 -9.454 6.915 1.00 0.00 H new ATOM 0 HA ASP A 26 14.721 -8.775 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.654 -8.263 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.960 -9.959 7.102 1.00 0.00 H new ATOM 401 N ASP A 27 15.009 -10.773 3.181 1.00 0.00 N ATOM 402 CA ASP A 27 15.339 -11.851 2.242 1.00 0.00 C ATOM 403 C ASP A 27 14.686 -13.167 2.664 1.00 0.00 C ATOM 404 O ASP A 27 13.658 -13.571 2.113 1.00 0.00 O ATOM 405 CB ASP A 27 16.858 -12.023 2.111 1.00 0.00 C ATOM 406 CG ASP A 27 17.236 -13.053 1.057 1.00 0.00 C ATOM 407 OD1 ASP A 27 17.399 -12.667 -0.120 1.00 0.00 O ATOM 408 OD2 ASP A 27 17.378 -14.249 1.399 1.00 0.00 O ATOM 0 H ASP A 27 14.543 -9.979 2.741 1.00 0.00 H new ATOM 0 HA ASP A 27 14.942 -11.571 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.309 -11.064 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.271 -12.324 3.074 1.00 0.00 H new ATOM 413 N SER A 28 15.293 -13.824 3.642 1.00 0.00 N ATOM 414 CA SER A 28 14.766 -15.050 4.218 1.00 0.00 C ATOM 415 C SER A 28 15.020 -15.047 5.724 1.00 0.00 C ATOM 416 O SER A 28 16.157 -15.220 6.173 1.00 0.00 O ATOM 417 CB SER A 28 15.422 -16.271 3.557 1.00 0.00 C ATOM 418 OG SER A 28 15.274 -16.224 2.144 1.00 0.00 O ATOM 0 H SER A 28 16.171 -13.518 4.060 1.00 0.00 H new ATOM 0 HA SER A 28 13.692 -15.107 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 28 16.481 -16.304 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.971 -17.185 3.944 1.00 0.00 H new ATOM 0 HG SER A 28 15.923 -15.594 1.768 1.00 0.00 H new ATOM 424 N SER A 29 13.965 -14.820 6.497 1.00 0.00 N ATOM 425 CA SER A 29 14.074 -14.714 7.949 1.00 0.00 C ATOM 426 C SER A 29 12.867 -15.373 8.617 1.00 0.00 C ATOM 427 O SER A 29 11.900 -15.738 7.944 1.00 0.00 O ATOM 428 CB SER A 29 14.183 -13.237 8.357 1.00 0.00 C ATOM 429 OG SER A 29 14.345 -13.097 9.757 1.00 0.00 O ATOM 0 H SER A 29 13.016 -14.705 6.140 1.00 0.00 H new ATOM 0 HA SER A 29 14.973 -15.233 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.028 -12.778 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.288 -12.703 8.038 1.00 0.00 H new ATOM 0 HG SER A 29 15.105 -12.506 9.941 1.00 0.00 H new ATOM 435 N GLY A 30 12.923 -15.512 9.937 1.00 0.00 N ATOM 436 CA GLY A 30 11.866 -16.186 10.670 1.00 0.00 C ATOM 437 C GLY A 30 10.897 -15.222 11.331 1.00 0.00 C ATOM 438 O GLY A 30 10.453 -15.457 12.455 1.00 0.00 O ATOM 0 H GLY A 30 13.688 -15.167 10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.316 -16.836 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.311 -16.826 11.432 1.00 0.00 H new ATOM 442 N GLY A 31 10.574 -14.132 10.640 1.00 0.00 N ATOM 443 CA GLY A 31 9.618 -13.170 11.166 1.00 0.00 C ATOM 444 C GLY A 31 9.534 -11.912 10.326 1.00 0.00 C ATOM 445 O GLY A 31 10.411 -11.652 9.497 1.00 0.00 O ATOM 0 H GLY A 31 10.957 -13.897 9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.633 -13.634 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.899 -12.904 12.185 1.00 0.00 H new ATOM 449 N TRP A 32 8.470 -11.140 10.530 1.00 0.00 N ATOM 450 CA TRP A 32 8.282 -9.861 9.851 1.00 0.00 C ATOM 451 C TRP A 32 8.592 -8.714 10.808 1.00 0.00 C ATOM 452 O TRP A 32 7.885 -8.515 11.802 1.00 0.00 O ATOM 453 CB TRP A 32 6.845 -9.732 9.319 1.00 0.00 C ATOM 454 CG TRP A 32 6.533 -10.704 8.224 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.110 -11.996 8.358 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.624 -10.455 6.821 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.936 -12.565 7.121 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.244 -11.637 6.158 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.994 -9.344 6.060 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.220 -11.736 4.772 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.969 -9.441 4.684 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.586 -10.630 4.051 1.00 0.00 C ATOM 0 H TRP A 32 7.714 -11.383 11.170 1.00 0.00 H new ATOM 0 HA TRP A 32 8.966 -9.815 9.004 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.145 -9.883 10.141 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.690 -8.718 8.951 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.938 -12.496 9.299 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.628 -13.522 6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.295 -8.425 6.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.924 -12.651 4.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.249 -8.587 4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.579 -10.676 2.972 1.00 0.00 H new ATOM 473 N PHE A 33 9.652 -7.973 10.512 1.00 0.00 N ATOM 474 CA PHE A 33 10.105 -6.882 11.373 1.00 0.00 C ATOM 475 C PHE A 33 10.032 -5.536 10.649 1.00 0.00 C ATOM 476 O PHE A 33 10.245 -5.462 9.436 1.00 0.00 O ATOM 477 CB PHE A 33 11.541 -7.153 11.873 1.00 0.00 C ATOM 478 CG PHE A 33 12.384 -8.001 10.944 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.843 -7.507 9.727 1.00 0.00 C ATOM 480 CD2 PHE A 33 12.720 -9.302 11.299 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.613 -8.291 8.893 1.00 0.00 C ATOM 482 CE2 PHE A 33 13.490 -10.086 10.466 1.00 0.00 C ATOM 483 CZ PHE A 33 13.937 -9.582 9.263 1.00 0.00 C ATOM 0 H PHE A 33 10.220 -8.108 9.676 1.00 0.00 H new ATOM 0 HA PHE A 33 9.438 -6.833 12.234 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.044 -6.198 12.028 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.486 -7.646 12.844 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.594 -6.498 9.432 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.374 -9.704 12.240 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.963 -7.895 7.951 1.00 0.00 H new ATOM 0 HE2 PHE A 33 13.743 -11.095 10.756 1.00 0.00 H new ATOM 0 HZ PHE A 33 14.540 -10.196 8.610 1.00 0.00 H new ATOM 493 N PRO A 34 9.699 -4.454 11.386 1.00 0.00 N ATOM 494 CA PRO A 34 9.696 -3.095 10.844 1.00 0.00 C ATOM 495 C PRO A 34 11.115 -2.591 10.592 1.00 0.00 C ATOM 496 O PRO A 34 12.014 -2.799 11.415 1.00 0.00 O ATOM 497 CB PRO A 34 9.010 -2.250 11.935 1.00 0.00 C ATOM 498 CG PRO A 34 8.433 -3.233 12.903 1.00 0.00 C ATOM 499 CD PRO A 34 9.276 -4.471 12.794 1.00 0.00 C ATOM 0 HA PRO A 34 9.184 -3.042 9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.725 -1.590 12.426 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.232 -1.617 11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.452 -2.837 13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.391 -3.449 12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.128 -4.441 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.708 -5.370 13.035 1.00 0.00 H new ATOM 507 N GLN A 35 11.307 -1.930 9.459 1.00 0.00 N ATOM 508 CA GLN A 35 12.606 -1.376 9.091 1.00 0.00 C ATOM 509 C GLN A 35 12.757 0.041 9.666 1.00 0.00 C ATOM 510 O GLN A 35 12.242 0.318 10.751 1.00 0.00 O ATOM 511 CB GLN A 35 12.744 -1.398 7.562 1.00 0.00 C ATOM 512 CG GLN A 35 11.698 -0.567 6.826 1.00 0.00 C ATOM 513 CD GLN A 35 11.513 -0.999 5.383 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.546 -1.876 5.150 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 12.221 -0.540 4.487 1.00 0.00 N flip ATOM 0 H GLN A 35 10.573 -1.762 8.771 1.00 0.00 H new ATOM 0 HA GLN A 35 13.409 -1.980 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.736 -1.034 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.679 -2.430 7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.745 -0.645 7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.991 0.483 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.954 0.133 4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.075 -0.833 3.521 1.00 0.00 H new ATOM 524 N GLU A 36 13.477 0.922 8.960 1.00 0.00 N ATOM 525 CA GLU A 36 13.680 2.309 9.408 1.00 0.00 C ATOM 526 C GLU A 36 12.369 2.957 9.869 1.00 0.00 C ATOM 527 O GLU A 36 12.334 3.645 10.892 1.00 0.00 O ATOM 528 CB GLU A 36 14.299 3.149 8.281 1.00 0.00 C ATOM 529 CG GLU A 36 15.716 2.731 7.898 1.00 0.00 C ATOM 530 CD GLU A 36 16.704 2.883 9.045 1.00 0.00 C ATOM 531 OE1 GLU A 36 17.062 4.033 9.383 1.00 0.00 O ATOM 532 OE2 GLU A 36 17.136 1.857 9.611 1.00 0.00 O ATOM 0 H GLU A 36 13.930 0.700 8.074 1.00 0.00 H new ATOM 0 HA GLU A 36 14.361 2.278 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.661 3.081 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.310 4.195 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.707 1.692 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.052 3.332 7.053 1.00 0.00 H new ATOM 539 N GLY A 37 11.300 2.730 9.114 1.00 0.00 N ATOM 540 CA GLY A 37 10.006 3.305 9.448 1.00 0.00 C ATOM 541 C GLY A 37 9.278 2.516 10.523 1.00 0.00 C ATOM 542 O GLY A 37 8.258 1.875 10.257 1.00 0.00 O ATOM 0 H GLY A 37 11.305 2.155 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.145 4.332 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.388 3.346 8.551 1.00 0.00 H new ATOM 546 N GLY A 38 9.812 2.558 11.738 1.00 0.00 N ATOM 547 CA GLY A 38 9.206 1.851 12.850 1.00 0.00 C ATOM 548 C GLY A 38 7.988 2.573 13.400 1.00 0.00 C ATOM 549 O GLY A 38 8.027 3.786 13.630 1.00 0.00 O ATOM 0 H GLY A 38 10.660 3.073 11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.917 0.851 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.942 1.729 13.644 1.00 0.00 H new ATOM 553 N GLY A 39 6.900 1.834 13.593 1.00 0.00 N ATOM 554 CA GLY A 39 5.698 2.400 14.182 1.00 0.00 C ATOM 555 C GLY A 39 4.805 3.082 13.161 1.00 0.00 C ATOM 556 O GLY A 39 3.635 2.718 13.009 1.00 0.00 O ATOM 0 H GLY A 39 6.829 0.846 13.350 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.136 1.609 14.679 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.980 3.121 14.950 1.00 0.00 H new ATOM 560 N ILE A 40 5.353 4.074 12.459 1.00 0.00 N ATOM 561 CA ILE A 40 4.596 4.847 11.474 1.00 0.00 C ATOM 562 C ILE A 40 5.474 5.178 10.264 1.00 0.00 C ATOM 563 O ILE A 40 6.663 5.460 10.411 1.00 0.00 O ATOM 564 CB ILE A 40 4.050 6.176 12.081 1.00 0.00 C ATOM 565 CG1 ILE A 40 3.100 5.893 13.262 1.00 0.00 C ATOM 566 CG2 ILE A 40 3.336 7.011 11.016 1.00 0.00 C ATOM 567 CD1 ILE A 40 2.538 7.143 13.913 1.00 0.00 C ATOM 0 H ILE A 40 6.326 4.363 12.556 1.00 0.00 H new ATOM 0 HA ILE A 40 3.752 4.232 11.164 1.00 0.00 H new ATOM 0 HB ILE A 40 4.902 6.746 12.452 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.273 5.275 12.911 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.634 5.312 14.014 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.965 7.932 11.465 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.034 7.253 10.215 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.500 6.443 10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.879 6.861 14.734 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.356 7.753 14.297 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.974 7.715 13.176 1.00 0.00 H new ATOM 579 N SER A 41 4.886 5.112 9.073 1.00 0.00 N ATOM 580 CA SER A 41 5.553 5.514 7.835 1.00 0.00 C ATOM 581 C SER A 41 4.511 6.014 6.833 1.00 0.00 C ATOM 582 O SER A 41 3.472 5.377 6.648 1.00 0.00 O ATOM 583 CB SER A 41 6.326 4.335 7.233 1.00 0.00 C ATOM 584 OG SER A 41 7.316 3.857 8.126 1.00 0.00 O ATOM 0 H SER A 41 3.932 4.778 8.937 1.00 0.00 H new ATOM 0 HA SER A 41 6.259 6.314 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.633 3.529 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.795 4.644 6.299 1.00 0.00 H new ATOM 0 HG SER A 41 7.326 4.415 8.932 1.00 0.00 H new ATOM 590 N ARG A 42 4.783 7.149 6.193 1.00 0.00 N ATOM 591 CA ARG A 42 3.841 7.734 5.241 1.00 0.00 C ATOM 592 C ARG A 42 3.977 7.042 3.887 1.00 0.00 C ATOM 593 O ARG A 42 4.791 7.443 3.055 1.00 0.00 O ATOM 594 CB ARG A 42 4.075 9.248 5.105 1.00 0.00 C ATOM 595 CG ARG A 42 2.969 9.975 4.343 1.00 0.00 C ATOM 596 CD ARG A 42 3.150 11.492 4.365 1.00 0.00 C ATOM 597 NE ARG A 42 4.282 11.947 3.547 1.00 0.00 N ATOM 598 CZ ARG A 42 4.758 13.199 3.561 1.00 0.00 C ATOM 599 NH1 ARG A 42 4.263 14.094 4.411 1.00 0.00 N ATOM 600 NH2 ARG A 42 5.736 13.550 2.735 1.00 0.00 N ATOM 0 H ARG A 42 5.645 7.681 6.315 1.00 0.00 H new ATOM 0 HA ARG A 42 2.827 7.584 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.165 9.683 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.025 9.416 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.954 9.628 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.003 9.720 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.236 11.967 4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.297 11.820 5.394 1.00 0.00 H new ATOM 0 HE ARG A 42 4.732 11.269 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.518 13.828 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.628 15.046 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.127 12.866 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.097 14.504 2.748 1.00 0.00 H new ATOM 614 N VAL A 43 3.195 5.987 3.690 1.00 0.00 N ATOM 615 CA VAL A 43 3.279 5.169 2.480 1.00 0.00 C ATOM 616 C VAL A 43 2.019 5.334 1.637 1.00 0.00 C ATOM 617 O VAL A 43 0.914 5.461 2.173 1.00 0.00 O ATOM 618 CB VAL A 43 3.472 3.670 2.825 1.00 0.00 C ATOM 619 CG1 VAL A 43 3.709 2.841 1.560 1.00 0.00 C ATOM 620 CG2 VAL A 43 4.620 3.486 3.818 1.00 0.00 C ATOM 0 H VAL A 43 2.489 5.674 4.357 1.00 0.00 H new ATOM 0 HA VAL A 43 4.145 5.511 1.913 1.00 0.00 H new ATOM 0 HB VAL A 43 2.555 3.312 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.841 1.794 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.851 2.938 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.604 3.200 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.738 2.427 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.543 3.868 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.399 4.032 4.735 1.00 0.00 H new ATOM 630 N GLY A 44 2.185 5.333 0.319 1.00 0.00 N ATOM 631 CA GLY A 44 1.057 5.484 -0.574 1.00 0.00 C ATOM 632 C GLY A 44 1.356 5.010 -1.977 1.00 0.00 C ATOM 633 O GLY A 44 2.448 4.510 -2.255 1.00 0.00 O ATOM 0 H GLY A 44 3.087 5.230 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.209 4.925 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.761 6.533 -0.605 1.00 0.00 H new ATOM 637 N VAL A 45 0.377 5.171 -2.860 1.00 0.00 N ATOM 638 CA VAL A 45 0.508 4.769 -4.253 1.00 0.00 C ATOM 639 C VAL A 45 0.378 5.982 -5.167 1.00 0.00 C ATOM 640 O VAL A 45 -0.555 6.787 -5.023 1.00 0.00 O ATOM 641 CB VAL A 45 -0.569 3.725 -4.652 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.380 3.270 -6.101 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.549 2.531 -3.702 1.00 0.00 C ATOM 0 H VAL A 45 -0.527 5.583 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 45 1.493 4.316 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.545 4.204 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.147 2.539 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.463 4.130 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.605 2.817 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.313 1.814 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.431 2.054 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.751 2.871 -2.686 1.00 0.00 H new ATOM 653 N CYS A 46 1.325 6.117 -6.085 1.00 0.00 N ATOM 654 CA CYS A 46 1.270 7.137 -7.121 1.00 0.00 C ATOM 655 C CYS A 46 1.259 6.467 -8.495 1.00 0.00 C ATOM 656 O CYS A 46 2.153 5.679 -8.822 1.00 0.00 O ATOM 657 CB CYS A 46 2.462 8.095 -6.988 1.00 0.00 C ATOM 658 SG CYS A 46 4.072 7.274 -6.924 1.00 0.00 S ATOM 0 H CYS A 46 2.152 5.522 -6.132 1.00 0.00 H new ATOM 0 HA CYS A 46 0.356 7.720 -7.008 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.453 8.787 -7.830 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.335 8.691 -6.084 1.00 0.00 H new ATOM 0 HG CYS A 46 5.010 8.167 -6.814 1.00 0.00 H new ATOM 664 N LYS A 47 0.226 6.751 -9.286 1.00 0.00 N ATOM 665 CA LYS A 47 0.104 6.178 -10.621 1.00 0.00 C ATOM 666 C LYS A 47 1.009 6.924 -11.598 1.00 0.00 C ATOM 667 O LYS A 47 0.696 8.035 -12.034 1.00 0.00 O ATOM 668 CB LYS A 47 -1.361 6.203 -11.095 1.00 0.00 C ATOM 669 CG LYS A 47 -1.560 5.722 -12.534 1.00 0.00 C ATOM 670 CD LYS A 47 -3.021 5.379 -12.835 1.00 0.00 C ATOM 671 CE LYS A 47 -3.975 6.508 -12.455 1.00 0.00 C ATOM 672 NZ LYS A 47 -5.379 6.182 -12.817 1.00 0.00 N ATOM 0 H LYS A 47 -0.537 7.375 -9.024 1.00 0.00 H new ATOM 0 HA LYS A 47 0.423 5.136 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.958 5.580 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.743 7.220 -11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.221 6.495 -13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.939 4.844 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.128 5.159 -13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.298 4.475 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.909 6.696 -11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.672 7.426 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.018 6.887 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.482 6.194 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.620 5.237 -12.456 1.00 0.00 H new ATOM 686 N VAL A 48 2.144 6.311 -11.910 1.00 0.00 N ATOM 687 CA VAL A 48 3.118 6.892 -12.822 1.00 0.00 C ATOM 688 C VAL A 48 2.639 6.762 -14.263 1.00 0.00 C ATOM 689 O VAL A 48 2.576 5.659 -14.805 1.00 0.00 O ATOM 690 CB VAL A 48 4.498 6.207 -12.684 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.528 6.861 -13.603 1.00 0.00 C ATOM 692 CG2 VAL A 48 4.967 6.225 -11.230 1.00 0.00 C ATOM 0 H VAL A 48 2.414 5.400 -11.539 1.00 0.00 H new ATOM 0 HA VAL A 48 3.222 7.945 -12.561 1.00 0.00 H new ATOM 0 HB VAL A 48 4.393 5.167 -12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.489 6.361 -13.486 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.198 6.776 -14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.633 7.914 -13.341 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.939 5.738 -11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.050 7.256 -10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.246 5.693 -10.609 1.00 0.00 H new ATOM 702 N MET A 49 2.293 7.889 -14.871 1.00 0.00 N ATOM 703 CA MET A 49 1.847 7.914 -16.261 1.00 0.00 C ATOM 704 C MET A 49 2.930 8.531 -17.146 1.00 0.00 C ATOM 705 O MET A 49 3.542 9.538 -16.779 1.00 0.00 O ATOM 706 CB MET A 49 0.527 8.693 -16.392 1.00 0.00 C ATOM 707 CG MET A 49 0.606 10.147 -15.937 1.00 0.00 C ATOM 708 SD MET A 49 -0.982 10.999 -16.039 1.00 0.00 S ATOM 709 CE MET A 49 -1.966 10.029 -14.898 1.00 0.00 C ATOM 0 H MET A 49 2.312 8.804 -14.421 1.00 0.00 H new ATOM 0 HA MET A 49 1.668 6.891 -16.591 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.206 8.668 -17.433 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.241 8.184 -15.809 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.967 10.182 -14.909 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.337 10.675 -16.549 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.802 10.629 -14.538 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.347 9.144 -15.408 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.348 9.723 -14.054 1.00 0.00 H new ATOM 828 N GLY A 58 3.549 2.686 -14.644 1.00 0.00 N ATOM 829 CA GLY A 58 3.101 1.765 -13.619 1.00 0.00 C ATOM 830 C GLY A 58 2.703 2.467 -12.340 1.00 0.00 C ATOM 831 O GLY A 58 2.201 3.592 -12.370 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.252 1.194 -13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.896 1.051 -13.405 1.00 0.00 H new ATOM 835 N PHE A 59 2.930 1.803 -11.212 1.00 0.00 N ATOM 836 CA PHE A 59 2.536 2.332 -9.908 1.00 0.00 C ATOM 837 C PHE A 59 3.709 2.254 -8.944 1.00 0.00 C ATOM 838 O PHE A 59 4.294 1.189 -8.757 1.00 0.00 O ATOM 839 CB PHE A 59 1.339 1.547 -9.349 1.00 0.00 C ATOM 840 CG PHE A 59 0.095 1.666 -10.196 1.00 0.00 C ATOM 841 CD1 PHE A 59 -0.108 0.829 -11.285 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.865 2.626 -9.908 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.240 0.949 -12.067 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.997 2.749 -10.689 1.00 0.00 C ATOM 845 CZ PHE A 59 -2.184 1.910 -11.770 1.00 0.00 C ATOM 0 H PHE A 59 3.387 0.892 -11.173 1.00 0.00 H new ATOM 0 HA PHE A 59 2.240 3.374 -10.027 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.612 0.495 -9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.119 1.902 -8.342 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.628 0.075 -11.523 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.725 3.284 -9.063 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.386 0.291 -12.911 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.736 3.501 -10.455 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.068 2.006 -12.382 1.00 0.00 H new ATOM 855 N LEU A 60 4.063 3.378 -8.342 1.00 0.00 N ATOM 856 CA LEU A 60 5.178 3.419 -7.408 1.00 0.00 C ATOM 857 C LEU A 60 4.652 3.279 -5.982 1.00 0.00 C ATOM 858 O LEU A 60 3.852 4.101 -5.524 1.00 0.00 O ATOM 859 CB LEU A 60 5.970 4.732 -7.580 1.00 0.00 C ATOM 860 CG LEU A 60 7.471 4.675 -7.220 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.154 5.998 -7.552 1.00 0.00 C ATOM 862 CD2 LEU A 60 7.686 4.321 -5.750 1.00 0.00 C ATOM 0 H LEU A 60 3.595 4.273 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 60 5.856 2.590 -7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.878 5.054 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.499 5.499 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 60 7.921 3.885 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.211 5.938 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.055 6.201 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.686 6.802 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.754 4.291 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.211 5.074 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.246 3.345 -5.543 1.00 0.00 H new ATOM 874 N ILE A 61 5.072 2.216 -5.300 1.00 0.00 N ATOM 875 CA ILE A 61 4.769 2.051 -3.888 1.00 0.00 C ATOM 876 C ILE A 61 5.808 2.819 -3.086 1.00 0.00 C ATOM 877 O ILE A 61 6.905 2.318 -2.822 1.00 0.00 O ATOM 878 CB ILE A 61 4.764 0.560 -3.455 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.730 -0.238 -4.269 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.486 0.435 -1.955 1.00 0.00 C ATOM 881 CD1 ILE A 61 2.300 0.225 -4.077 1.00 0.00 C ATOM 0 H ILE A 61 5.622 1.459 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 61 3.767 2.437 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 61 5.751 0.142 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.984 -0.168 -5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.800 -1.290 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.487 -0.617 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.260 0.962 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.513 0.871 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.634 -0.388 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.024 0.129 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.211 1.268 -4.381 1.00 0.00 H new ATOM 893 N HIS A 62 5.479 4.057 -2.745 1.00 0.00 N ATOM 894 CA HIS A 62 6.439 4.963 -2.133 1.00 0.00 C ATOM 895 C HIS A 62 6.113 5.189 -0.660 1.00 0.00 C ATOM 896 O HIS A 62 4.963 5.451 -0.298 1.00 0.00 O ATOM 897 CB HIS A 62 6.453 6.296 -2.889 1.00 0.00 C ATOM 898 CG HIS A 62 7.617 7.175 -2.545 1.00 0.00 C ATOM 899 ND1 HIS A 62 7.542 8.254 -1.697 1.00 0.00 N ATOM 900 CD2 HIS A 62 8.906 7.122 -2.972 1.00 0.00 C ATOM 901 CE1 HIS A 62 8.754 8.816 -1.637 1.00 0.00 C ATOM 902 NE2 HIS A 62 9.620 8.166 -2.392 1.00 0.00 N ATOM 0 H HIS A 62 4.551 4.457 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 62 7.429 4.510 -2.192 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.466 6.095 -3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.529 6.833 -2.676 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.709 8.570 -1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.311 6.388 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.993 9.689 -1.047 1.00 0.00 H new ATOM 910 N GLY A 63 7.132 5.069 0.179 1.00 0.00 N ATOM 911 CA GLY A 63 6.985 5.298 1.602 1.00 0.00 C ATOM 912 C GLY A 63 8.025 6.275 2.101 1.00 0.00 C ATOM 913 O GLY A 63 9.209 6.130 1.792 1.00 0.00 O ATOM 0 H GLY A 63 8.076 4.812 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.987 5.684 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.080 4.354 2.138 1.00 0.00 H new ATOM 917 N GLU A 64 7.593 7.253 2.884 1.00 0.00 N ATOM 918 CA GLU A 64 8.457 8.349 3.307 1.00 0.00 C ATOM 919 C GLU A 64 8.094 8.833 4.708 1.00 0.00 C ATOM 920 O GLU A 64 7.153 8.325 5.329 1.00 0.00 O ATOM 921 CB GLU A 64 8.318 9.504 2.309 1.00 0.00 C ATOM 922 CG GLU A 64 6.860 9.822 1.979 1.00 0.00 C ATOM 923 CD GLU A 64 6.694 10.870 0.893 1.00 0.00 C ATOM 924 OE1 GLU A 64 7.226 11.985 1.056 1.00 0.00 O ATOM 925 OE2 GLU A 64 5.992 10.592 -0.104 1.00 0.00 O ATOM 0 H GLU A 64 6.640 7.311 3.243 1.00 0.00 H new ATOM 0 HA GLU A 64 9.487 7.992 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.796 10.393 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.848 9.252 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.359 8.906 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.359 10.167 2.884 1.00 0.00 H new ATOM 932 N ARG A 65 8.862 9.812 5.190 1.00 0.00 N ATOM 933 CA ARG A 65 8.598 10.477 6.471 1.00 0.00 C ATOM 934 C ARG A 65 8.819 9.537 7.657 1.00 0.00 C ATOM 935 O ARG A 65 8.975 8.326 7.486 1.00 0.00 O ATOM 936 CB ARG A 65 7.174 11.081 6.504 1.00 0.00 C ATOM 937 CG ARG A 65 7.142 12.604 6.380 1.00 0.00 C ATOM 938 CD ARG A 65 7.827 13.275 7.567 1.00 0.00 C ATOM 939 NE ARG A 65 7.807 14.733 7.466 1.00 0.00 N ATOM 940 CZ ARG A 65 8.247 15.563 8.415 1.00 0.00 C ATOM 941 NH1 ARG A 65 8.770 15.087 9.542 1.00 0.00 N ATOM 942 NH2 ARG A 65 8.175 16.873 8.222 1.00 0.00 N ATOM 0 H ARG A 65 9.685 10.168 4.704 1.00 0.00 H new ATOM 0 HA ARG A 65 9.315 11.292 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.588 10.648 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.689 10.792 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.635 12.905 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.108 12.943 6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.333 12.970 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.859 12.931 7.630 1.00 0.00 H new ATOM 0 HE ARG A 65 7.431 15.145 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.838 14.080 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.103 15.729 10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.786 17.240 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.509 17.514 8.942 1.00 0.00 H new ATOM 956 N GLN A 66 8.816 10.121 8.860 1.00 0.00 N ATOM 957 CA GLN A 66 9.153 9.411 10.094 1.00 0.00 C ATOM 958 C GLN A 66 10.617 8.978 10.073 1.00 0.00 C ATOM 959 O GLN A 66 11.266 9.021 9.023 1.00 0.00 O ATOM 960 CB GLN A 66 8.223 8.210 10.351 1.00 0.00 C ATOM 961 CG GLN A 66 6.833 8.597 10.861 1.00 0.00 C ATOM 962 CD GLN A 66 5.946 9.250 9.808 1.00 0.00 C ATOM 963 OE1 GLN A 66 6.083 8.833 8.557 1.00 0.00 O flip ATOM 964 NE2 GLN A 66 5.122 10.110 10.121 1.00 0.00 N flip ATOM 0 H GLN A 66 8.579 11.103 9.003 1.00 0.00 H new ATOM 0 HA GLN A 66 9.003 10.104 10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.115 7.643 9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.694 7.548 11.078 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.334 7.704 11.238 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.943 9.281 11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.041 10.409 11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.520 10.523 9.408 1.00 0.00 H new ATOM 973 N LYS A 67 11.132 8.590 11.241 1.00 0.00 N ATOM 974 CA LYS A 67 12.547 8.252 11.415 1.00 0.00 C ATOM 975 C LYS A 67 13.395 9.527 11.340 1.00 0.00 C ATOM 976 O LYS A 67 14.084 9.882 12.299 1.00 0.00 O ATOM 977 CB LYS A 67 13.001 7.206 10.374 1.00 0.00 C ATOM 978 CG LYS A 67 14.387 6.614 10.626 1.00 0.00 C ATOM 979 CD LYS A 67 14.488 5.977 12.014 1.00 0.00 C ATOM 980 CE LYS A 67 15.698 5.054 12.135 1.00 0.00 C ATOM 981 NZ LYS A 67 16.966 5.716 11.723 1.00 0.00 N ATOM 0 H LYS A 67 10.580 8.501 12.094 1.00 0.00 H new ATOM 0 HA LYS A 67 12.685 7.802 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.273 6.395 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.992 7.668 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.606 5.865 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.140 7.396 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.554 6.761 12.768 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.579 5.412 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.789 4.713 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.538 4.169 11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.710 5.503 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.254 5.363 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.821 6.745 11.675 1.00 0.00 H new ATOM 995 N ASP A 68 13.317 10.216 10.203 1.00 0.00 N ATOM 996 CA ASP A 68 13.954 11.518 10.020 1.00 0.00 C ATOM 997 C ASP A 68 13.394 12.211 8.776 1.00 0.00 C ATOM 998 O ASP A 68 12.446 12.997 8.860 1.00 0.00 O ATOM 999 CB ASP A 68 15.483 11.375 9.909 1.00 0.00 C ATOM 1000 CG ASP A 68 16.167 12.676 9.514 1.00 0.00 C ATOM 1001 OD1 ASP A 68 16.138 13.635 10.310 1.00 0.00 O ATOM 1002 OD2 ASP A 68 16.739 12.742 8.403 1.00 0.00 O ATOM 0 H ASP A 68 12.810 9.886 9.382 1.00 0.00 H new ATOM 0 HA ASP A 68 13.734 12.130 10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.882 11.035 10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.720 10.607 9.173 1.00 0.00 H new ATOM 1007 N LYS A 69 13.966 11.884 7.623 1.00 0.00 N ATOM 1008 CA LYS A 69 13.569 12.459 6.343 1.00 0.00 C ATOM 1009 C LYS A 69 14.172 11.617 5.228 1.00 0.00 C ATOM 1010 O LYS A 69 15.338 11.797 4.872 1.00 0.00 O ATOM 1011 CB LYS A 69 14.059 13.914 6.223 1.00 0.00 C ATOM 1012 CG LYS A 69 13.697 14.587 4.899 1.00 0.00 C ATOM 1013 CD LYS A 69 14.468 15.894 4.673 1.00 0.00 C ATOM 1014 CE LYS A 69 14.043 17.020 5.620 1.00 0.00 C ATOM 1015 NZ LYS A 69 14.452 16.778 7.031 1.00 0.00 N ATOM 0 H LYS A 69 14.725 11.206 7.550 1.00 0.00 H new ATOM 0 HA LYS A 69 12.482 12.462 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.637 14.497 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.142 13.932 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.904 13.901 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.627 14.793 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.534 15.705 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.322 16.220 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.478 17.959 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.960 17.135 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.763 17.673 7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.645 16.399 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.234 16.093 7.053 1.00 0.00 H new ATOM 1029 N LEU A 70 13.395 10.680 4.698 1.00 0.00 N ATOM 1030 CA LEU A 70 13.909 9.719 3.734 1.00 0.00 C ATOM 1031 C LEU A 70 12.778 8.875 3.170 1.00 0.00 C ATOM 1032 O LEU A 70 11.613 9.041 3.557 1.00 0.00 O ATOM 1033 CB LEU A 70 14.996 8.831 4.385 1.00 0.00 C ATOM 1034 CG LEU A 70 14.660 8.239 5.774 1.00 0.00 C ATOM 1035 CD1 LEU A 70 13.625 7.119 5.682 1.00 0.00 C ATOM 1036 CD2 LEU A 70 15.926 7.741 6.468 1.00 0.00 C ATOM 0 H LEU A 70 12.406 10.566 4.921 1.00 0.00 H new ATOM 0 HA LEU A 70 14.367 10.263 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.215 8.007 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.909 9.420 4.476 1.00 0.00 H new ATOM 0 HG LEU A 70 14.223 9.040 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.418 6.732 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.705 7.509 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.012 6.316 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.668 7.328 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.394 6.968 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.621 8.571 6.597 1.00 0.00 H new ATOM 1048 N VAL A 71 13.132 7.976 2.260 1.00 0.00 N ATOM 1049 CA VAL A 71 12.176 7.060 1.656 1.00 0.00 C ATOM 1050 C VAL A 71 12.328 5.667 2.273 1.00 0.00 C ATOM 1051 O VAL A 71 13.290 4.944 1.993 1.00 0.00 O ATOM 1052 CB VAL A 71 12.341 7.005 0.110 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.035 8.370 -0.502 1.00 0.00 C ATOM 1054 CG2 VAL A 71 13.746 6.551 -0.297 1.00 0.00 C ATOM 0 H VAL A 71 14.087 7.862 1.921 1.00 0.00 H new ATOM 0 HA VAL A 71 11.171 7.428 1.861 1.00 0.00 H new ATOM 0 HB VAL A 71 11.632 6.270 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.154 8.318 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.010 8.655 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.722 9.113 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.820 6.526 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.483 7.248 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.936 5.555 0.103 1.00 0.00 H new ATOM 1064 N VAL A 72 11.395 5.309 3.152 1.00 0.00 N ATOM 1065 CA VAL A 72 11.443 4.019 3.834 1.00 0.00 C ATOM 1066 C VAL A 72 11.188 2.884 2.845 1.00 0.00 C ATOM 1067 O VAL A 72 11.734 1.789 2.987 1.00 0.00 O ATOM 1068 CB VAL A 72 10.424 3.936 5.006 1.00 0.00 C ATOM 1069 CG1 VAL A 72 10.729 4.992 6.068 1.00 0.00 C ATOM 1070 CG2 VAL A 72 8.991 4.079 4.502 1.00 0.00 C ATOM 0 H VAL A 72 10.599 5.893 3.408 1.00 0.00 H new ATOM 0 HA VAL A 72 12.443 3.917 4.256 1.00 0.00 H new ATOM 0 HB VAL A 72 10.523 2.951 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.003 4.914 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.732 4.831 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.670 5.985 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.301 4.017 5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.874 5.043 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.773 3.279 3.794 1.00 0.00 H new ATOM 1080 N LEU A 73 10.380 3.167 1.825 1.00 0.00 N ATOM 1081 CA LEU A 73 10.075 2.198 0.776 1.00 0.00 C ATOM 1082 C LEU A 73 10.016 2.887 -0.581 1.00 0.00 C ATOM 1083 O LEU A 73 8.992 3.456 -0.951 1.00 0.00 O ATOM 1084 CB LEU A 73 8.740 1.473 1.040 1.00 0.00 C ATOM 1085 CG LEU A 73 8.755 0.409 2.152 1.00 0.00 C ATOM 1086 CD1 LEU A 73 7.377 -0.240 2.288 1.00 0.00 C ATOM 1087 CD2 LEU A 73 9.823 -0.649 1.873 1.00 0.00 C ATOM 0 H LEU A 73 9.921 4.070 1.703 1.00 0.00 H new ATOM 0 HA LEU A 73 10.874 1.456 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.987 2.221 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.419 0.996 0.114 1.00 0.00 H new ATOM 0 HG LEU A 73 9.000 0.900 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.404 -0.990 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.639 0.522 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.104 -0.716 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.817 -1.392 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.612 -1.137 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.803 -0.174 1.827 1.00 0.00 H new ATOM 1099 N GLU A 74 11.128 2.879 -1.297 1.00 0.00 N ATOM 1100 CA GLU A 74 11.146 3.326 -2.681 1.00 0.00 C ATOM 1101 C GLU A 74 11.072 2.088 -3.568 1.00 0.00 C ATOM 1102 O GLU A 74 12.084 1.422 -3.816 1.00 0.00 O ATOM 1103 CB GLU A 74 12.409 4.163 -2.960 1.00 0.00 C ATOM 1104 CG GLU A 74 12.419 4.883 -4.312 1.00 0.00 C ATOM 1105 CD GLU A 74 12.830 3.984 -5.470 1.00 0.00 C ATOM 1106 OE1 GLU A 74 14.030 3.643 -5.555 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.967 3.619 -6.297 1.00 0.00 O ATOM 0 H GLU A 74 12.032 2.567 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 74 10.294 3.972 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.518 4.905 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.280 3.509 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.425 5.286 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.102 5.731 -4.259 1.00 0.00 H new ATOM 1114 N CYS A 75 9.859 1.740 -3.985 1.00 0.00 N ATOM 1115 CA CYS A 75 9.619 0.494 -4.699 1.00 0.00 C ATOM 1116 C CYS A 75 8.626 0.701 -5.846 1.00 0.00 C ATOM 1117 O CYS A 75 7.411 0.588 -5.671 1.00 0.00 O ATOM 1118 CB CYS A 75 9.113 -0.562 -3.705 1.00 0.00 C ATOM 1119 SG CYS A 75 10.213 -0.792 -2.287 1.00 0.00 S ATOM 0 H CYS A 75 9.024 2.307 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 75 10.551 0.146 -5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.126 -0.271 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.996 -1.513 -4.224 1.00 0.00 H new ATOM 0 HG CYS A 75 10.396 -2.063 -2.081 1.00 0.00 H new ATOM 1125 N TYR A 76 9.161 1.041 -7.016 1.00 0.00 N ATOM 1126 CA TYR A 76 8.350 1.233 -8.214 1.00 0.00 C ATOM 1127 C TYR A 76 7.891 -0.115 -8.760 1.00 0.00 C ATOM 1128 O TYR A 76 8.712 -0.942 -9.172 1.00 0.00 O ATOM 1129 CB TYR A 76 9.147 2.002 -9.281 1.00 0.00 C ATOM 1130 CG TYR A 76 8.389 2.247 -10.580 1.00 0.00 C ATOM 1131 CD1 TYR A 76 7.129 2.833 -10.574 1.00 0.00 C ATOM 1132 CD2 TYR A 76 8.943 1.901 -11.810 1.00 0.00 C ATOM 1133 CE1 TYR A 76 6.444 3.066 -11.750 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.264 2.136 -12.992 1.00 0.00 C ATOM 1135 CZ TYR A 76 7.013 2.720 -12.955 1.00 0.00 C ATOM 1136 OH TYR A 76 6.334 2.966 -14.128 1.00 0.00 O ATOM 0 H TYR A 76 10.160 1.190 -7.159 1.00 0.00 H new ATOM 0 HA TYR A 76 7.470 1.820 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.452 2.963 -8.866 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.058 1.448 -9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.678 3.111 -9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.920 1.441 -11.842 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.464 3.519 -11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.709 1.865 -13.938 1.00 0.00 H new ATOM 0 HH TYR A 76 5.379 2.793 -13.995 1.00 0.00 H new ATOM 1146 N VAL A 77 6.580 -0.335 -8.755 1.00 0.00 N ATOM 1147 CA VAL A 77 6.006 -1.572 -9.251 1.00 0.00 C ATOM 1148 C VAL A 77 5.926 -1.531 -10.767 1.00 0.00 C ATOM 1149 O VAL A 77 5.088 -0.827 -11.345 1.00 0.00 O ATOM 1150 CB VAL A 77 4.600 -1.833 -8.660 1.00 0.00 C ATOM 1151 CG1 VAL A 77 3.974 -3.086 -9.269 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.675 -1.946 -7.140 1.00 0.00 C ATOM 0 H VAL A 77 5.894 0.336 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 77 6.656 -2.388 -8.936 1.00 0.00 H new ATOM 0 HB VAL A 77 3.961 -0.987 -8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.987 -3.246 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.881 -2.959 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.607 -3.948 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.678 -2.130 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.333 -2.772 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.068 -1.018 -6.725 1.00 0.00 H new ATOM 1162 N ARG A 78 6.816 -2.277 -11.398 1.00 0.00 N ATOM 1163 CA ARG A 78 6.876 -2.348 -12.849 1.00 0.00 C ATOM 1164 C ARG A 78 5.817 -3.320 -13.377 1.00 0.00 C ATOM 1165 O ARG A 78 6.136 -4.332 -14.003 1.00 0.00 O ATOM 1166 CB ARG A 78 8.305 -2.733 -13.304 1.00 0.00 C ATOM 1167 CG ARG A 78 9.003 -3.765 -12.405 1.00 0.00 C ATOM 1168 CD ARG A 78 8.571 -5.203 -12.693 1.00 0.00 C ATOM 1169 NE ARG A 78 8.882 -6.106 -11.581 1.00 0.00 N ATOM 1170 CZ ARG A 78 10.108 -6.533 -11.267 1.00 0.00 C ATOM 1171 NH1 ARG A 78 11.162 -6.158 -11.984 1.00 0.00 N ATOM 1172 NH2 ARG A 78 10.273 -7.356 -10.237 1.00 0.00 N ATOM 0 H ARG A 78 7.515 -2.848 -10.923 1.00 0.00 H new ATOM 0 HA ARG A 78 6.653 -1.368 -13.271 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.256 -3.128 -14.319 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.916 -1.831 -13.342 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.082 -3.683 -12.538 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.792 -3.531 -11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.499 -5.226 -12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.068 -5.556 -13.596 1.00 0.00 H new ATOM 0 HE ARG A 78 8.106 -6.432 -11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.040 -5.537 -12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.093 -6.491 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.466 -7.658 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.207 -7.686 -9.992 1.00 0.00 H new ATOM 1186 N LYS A 79 4.552 -2.984 -13.107 1.00 0.00 N ATOM 1187 CA LYS A 79 3.401 -3.821 -13.461 1.00 0.00 C ATOM 1188 C LYS A 79 3.282 -5.032 -12.528 1.00 0.00 C ATOM 1189 O LYS A 79 4.226 -5.809 -12.376 1.00 0.00 O ATOM 1190 CB LYS A 79 3.457 -4.277 -14.937 1.00 0.00 C ATOM 1191 CG LYS A 79 2.511 -5.434 -15.263 1.00 0.00 C ATOM 1192 CD LYS A 79 2.545 -5.811 -16.741 1.00 0.00 C ATOM 1193 CE LYS A 79 1.831 -7.136 -16.998 1.00 0.00 C ATOM 1194 NZ LYS A 79 0.497 -7.188 -16.340 1.00 0.00 N ATOM 0 H LYS A 79 4.296 -2.118 -12.633 1.00 0.00 H new ATOM 0 HA LYS A 79 2.510 -3.205 -13.335 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.214 -3.430 -15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.477 -4.576 -15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.782 -6.302 -14.663 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.494 -5.159 -14.984 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.075 -5.023 -17.329 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.580 -5.884 -17.075 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.711 -7.281 -18.072 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.448 -7.957 -16.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.181 -7.665 -16.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.571 -7.715 -15.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.168 -6.221 -16.145 1.00 0.00 H new ATOM 1208 N ASP A 80 2.106 -5.153 -11.902 1.00 0.00 N ATOM 1209 CA ASP A 80 1.741 -6.304 -11.064 1.00 0.00 C ATOM 1210 C ASP A 80 2.513 -6.349 -9.746 1.00 0.00 C ATOM 1211 O ASP A 80 3.742 -6.429 -9.724 1.00 0.00 O ATOM 1212 CB ASP A 80 1.929 -7.639 -11.809 1.00 0.00 C ATOM 1213 CG ASP A 80 1.034 -7.790 -13.033 1.00 0.00 C ATOM 1214 OD1 ASP A 80 -0.121 -7.320 -13.003 1.00 0.00 O ATOM 1215 OD2 ASP A 80 1.488 -8.382 -14.034 1.00 0.00 O ATOM 0 H ASP A 80 1.372 -4.447 -11.963 1.00 0.00 H new ATOM 0 HA ASP A 80 0.684 -6.168 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.970 -7.729 -12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.729 -8.460 -11.121 1.00 0.00 H new ATOM 1220 N LEU A 81 1.770 -6.289 -8.644 1.00 0.00 N ATOM 1221 CA LEU A 81 2.302 -6.584 -7.319 1.00 0.00 C ATOM 1222 C LEU A 81 1.215 -7.296 -6.518 1.00 0.00 C ATOM 1223 O LEU A 81 0.050 -6.894 -6.552 1.00 0.00 O ATOM 1224 CB LEU A 81 2.855 -5.320 -6.600 1.00 0.00 C ATOM 1225 CG LEU A 81 1.869 -4.200 -6.171 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.884 -3.842 -7.277 1.00 0.00 C ATOM 1227 CD2 LEU A 81 1.139 -4.555 -4.877 1.00 0.00 C ATOM 0 H LEU A 81 0.782 -6.034 -8.646 1.00 0.00 H new ATOM 0 HA LEU A 81 3.167 -7.241 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.380 -5.655 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.599 -4.868 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 81 2.473 -3.313 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.216 -3.054 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.431 -3.492 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.299 -4.723 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.458 -3.747 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.572 -5.475 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.865 -4.697 -4.077 1.00 0.00 H new ATOM 1239 N VAL A 82 1.590 -8.372 -5.839 1.00 0.00 N ATOM 1240 CA VAL A 82 0.619 -9.267 -5.213 1.00 0.00 C ATOM 1241 C VAL A 82 -0.146 -8.577 -4.081 1.00 0.00 C ATOM 1242 O VAL A 82 -1.379 -8.593 -4.056 1.00 0.00 O ATOM 1243 CB VAL A 82 1.307 -10.543 -4.669 1.00 0.00 C ATOM 1244 CG1 VAL A 82 0.268 -11.564 -4.217 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.243 -11.145 -5.720 1.00 0.00 C ATOM 0 H VAL A 82 2.563 -8.649 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.094 -9.547 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 82 1.907 -10.264 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.772 -12.453 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.347 -11.132 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.365 -11.838 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.716 -12.040 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.671 -11.407 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.010 -10.417 -5.983 1.00 0.00 H new ATOM 1255 N TYR A 83 0.596 -7.976 -3.154 1.00 0.00 N ATOM 1256 CA TYR A 83 0.012 -7.316 -1.981 1.00 0.00 C ATOM 1257 C TYR A 83 -0.828 -8.316 -1.182 1.00 0.00 C ATOM 1258 O TYR A 83 -1.998 -8.068 -0.872 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.835 -6.094 -2.396 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.807 -4.952 -1.396 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.389 -4.538 -0.825 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -1.969 -4.283 -1.028 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.427 -3.499 0.082 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -1.937 -3.239 -0.120 1.00 0.00 C ATOM 1265 CZ TYR A 83 -0.735 -2.854 0.431 1.00 0.00 C ATOM 1266 OH TYR A 83 -0.692 -1.823 1.337 1.00 0.00 O ATOM 0 H TYR A 83 1.614 -7.931 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 83 0.822 -6.955 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.478 -5.728 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.868 -6.413 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.307 -5.039 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.913 -4.583 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.367 -3.194 0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.849 -2.730 0.155 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.790 -0.969 0.866 1.00 0.00 H new ATOM 1276 N THR A 84 -0.216 -9.454 -0.870 1.00 0.00 N ATOM 1277 CA THR A 84 -0.869 -10.514 -0.120 1.00 0.00 C ATOM 1278 C THR A 84 -1.299 -10.017 1.258 1.00 0.00 C ATOM 1279 O THR A 84 -0.462 -9.662 2.091 1.00 0.00 O ATOM 1280 CB THR A 84 0.074 -11.730 0.045 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.560 -12.145 -1.238 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.636 -12.898 0.724 1.00 0.00 C ATOM 0 H THR A 84 0.747 -9.665 -1.132 1.00 0.00 H new ATOM 0 HA THR A 84 -1.752 -10.820 -0.681 1.00 0.00 H new ATOM 0 HB THR A 84 0.908 -11.425 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.158 -12.914 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.055 -13.735 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.979 -12.591 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.491 -13.204 0.122 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.605 -9.964 1.482 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.145 -9.588 2.781 1.00 0.00 C ATOM 1292 C LYS A 85 -3.552 -10.830 3.565 1.00 0.00 C ATOM 1293 O LYS A 85 -4.581 -11.449 3.284 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.325 -8.596 2.644 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.018 -8.576 1.279 1.00 0.00 C ATOM 1296 CD LYS A 85 -5.881 -9.808 1.027 1.00 0.00 C ATOM 1297 CE LYS A 85 -6.646 -9.691 -0.287 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.531 -8.492 -0.314 1.00 0.00 N ATOM 0 H LYS A 85 -3.312 -10.177 0.778 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.361 -9.073 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.068 -8.836 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.959 -7.592 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.640 -7.684 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.263 -8.502 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.251 -10.697 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.585 -9.936 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.939 -9.638 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.246 -10.588 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.189 -8.564 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.071 -8.439 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.951 -7.635 -0.418 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.709 -11.213 4.518 1.00 0.00 N ATOM 1313 CA ALA A 86 -3.012 -12.323 5.415 1.00 0.00 C ATOM 1314 C ALA A 86 -4.035 -11.865 6.442 1.00 0.00 C ATOM 1315 O ALA A 86 -4.933 -12.612 6.836 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.743 -12.820 6.097 1.00 0.00 C ATOM 0 H ALA A 86 -1.807 -10.769 4.690 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.426 -13.153 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.988 -13.648 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.033 -13.159 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.299 -12.009 6.675 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.882 -10.615 6.858 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.830 -9.950 7.743 1.00 0.00 C ATOM 1324 C ASN A 87 -5.222 -8.630 7.094 1.00 0.00 C ATOM 1325 O ASN A 87 -4.424 -8.067 6.344 1.00 0.00 O ATOM 1326 CB ASN A 87 -4.209 -9.684 9.129 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.754 -10.948 9.844 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.318 -12.025 9.658 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -2.735 -10.818 10.680 1.00 0.00 N ATOM 0 H ASN A 87 -3.091 -10.030 6.589 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.701 -10.589 7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.357 -9.015 9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.939 -9.167 9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.392 -11.628 11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.293 -9.908 10.808 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.438 -8.115 7.355 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.883 -6.829 6.798 1.00 0.00 C ATOM 1338 C PRO A 88 -5.839 -5.724 6.977 1.00 0.00 C ATOM 1339 O PRO A 88 -5.694 -4.847 6.127 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.149 -6.518 7.610 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.685 -7.858 7.987 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.481 -8.745 8.192 1.00 0.00 C ATOM 0 HA PRO A 88 -7.051 -6.881 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.919 -5.919 8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.871 -5.953 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.284 -7.797 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.332 -8.254 7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.185 -8.783 9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.680 -9.770 7.880 1.00 0.00 H new ATOM 1350 N THR A 89 -5.109 -5.789 8.087 1.00 0.00 N ATOM 1351 CA THR A 89 -4.096 -4.794 8.418 1.00 0.00 C ATOM 1352 C THR A 89 -2.683 -5.254 8.027 1.00 0.00 C ATOM 1353 O THR A 89 -1.762 -4.441 7.960 1.00 0.00 O ATOM 1354 CB THR A 89 -4.136 -4.480 9.929 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.208 -5.707 10.669 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.335 -3.602 10.279 1.00 0.00 C ATOM 0 H THR A 89 -5.203 -6.531 8.780 1.00 0.00 H new ATOM 0 HA THR A 89 -4.325 -3.896 7.844 1.00 0.00 H new ATOM 0 HB THR A 89 -3.228 -3.937 10.191 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.232 -5.509 11.629 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.336 -3.398 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.270 -2.662 9.730 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.256 -4.118 10.007 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.513 -6.549 7.762 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.192 -7.105 7.450 1.00 0.00 C ATOM 1366 C PHE A 90 -1.085 -7.454 5.964 1.00 0.00 C ATOM 1367 O PHE A 90 -1.618 -8.473 5.507 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.907 -8.344 8.318 1.00 0.00 C ATOM 1369 CG PHE A 90 0.436 -8.991 8.052 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.600 -8.499 8.636 1.00 0.00 C ATOM 1371 CD2 PHE A 90 0.535 -10.097 7.216 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.822 -9.094 8.389 1.00 0.00 C ATOM 1373 CE2 PHE A 90 1.756 -10.694 6.969 1.00 0.00 C ATOM 1374 CZ PHE A 90 2.900 -10.193 7.556 1.00 0.00 C ATOM 0 H PHE A 90 -3.270 -7.233 7.756 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.443 -6.346 7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.958 -8.058 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.693 -9.081 8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.547 -7.641 9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.356 -10.495 6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.717 -8.700 8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.815 -11.553 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.855 -10.660 7.364 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.400 -6.586 5.223 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.142 -6.782 3.797 1.00 0.00 C ATOM 1386 C HIS A 91 1.351 -7.008 3.558 1.00 0.00 C ATOM 1387 O HIS A 91 2.188 -6.454 4.270 1.00 0.00 O ATOM 1388 CB HIS A 91 -0.596 -5.553 2.993 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.074 -5.464 2.754 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -2.983 -4.960 3.659 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -2.792 -5.792 1.650 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.195 -4.994 3.088 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -4.132 -5.489 1.867 1.00 0.00 N ATOM 0 H HIS A 91 -0.006 -5.722 5.596 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.704 -7.656 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.273 -4.654 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.087 -5.559 2.029 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.387 -6.221 0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.104 -4.660 3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.906 -5.622 1.216 1.00 0.00 H new ATOM 1401 N HIS A 92 1.673 -7.817 2.555 1.00 0.00 N ATOM 1402 CA HIS A 92 3.058 -8.035 2.143 1.00 0.00 C ATOM 1403 C HIS A 92 3.100 -8.436 0.675 1.00 0.00 C ATOM 1404 O HIS A 92 2.131 -8.988 0.154 1.00 0.00 O ATOM 1405 CB HIS A 92 3.731 -9.116 3.006 1.00 0.00 C ATOM 1406 CG HIS A 92 3.102 -10.477 2.901 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.613 -11.500 2.133 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.998 -10.982 3.510 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.825 -12.569 2.293 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.829 -12.309 3.120 1.00 0.00 N ATOM 0 H HIS A 92 0.988 -8.338 2.007 1.00 0.00 H new ATOM 0 HA HIS A 92 3.608 -7.104 2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.780 -9.191 2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.707 -8.798 4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.354 -10.442 4.188 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.983 -13.521 1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.089 -12.947 3.413 1.00 0.00 H new ATOM 1418 N TRP A 93 4.206 -8.144 -0.004 1.00 0.00 N ATOM 1419 CA TRP A 93 4.356 -8.530 -1.402 1.00 0.00 C ATOM 1420 C TRP A 93 5.750 -9.084 -1.677 1.00 0.00 C ATOM 1421 O TRP A 93 6.741 -8.656 -1.075 1.00 0.00 O ATOM 1422 CB TRP A 93 4.042 -7.349 -2.340 1.00 0.00 C ATOM 1423 CG TRP A 93 4.947 -6.155 -2.180 1.00 0.00 C ATOM 1424 CD1 TRP A 93 6.131 -5.927 -2.823 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.730 -5.018 -1.335 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.656 -4.723 -2.434 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.817 -4.145 -1.519 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.720 -4.651 -0.441 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.924 -2.932 -0.839 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.829 -3.448 0.231 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.922 -2.601 0.028 1.00 0.00 C ATOM 0 H TRP A 93 5.005 -7.645 0.388 1.00 0.00 H new ATOM 0 HA TRP A 93 3.635 -9.323 -1.603 1.00 0.00 H new ATOM 0 HB2 TRP A 93 4.102 -7.697 -3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 93 3.013 -7.032 -2.170 1.00 0.00 H new ATOM 0 HD1 TRP A 93 6.587 -6.599 -3.535 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.531 -4.322 -2.772 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.869 -5.296 -0.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.769 -2.278 -0.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.055 -3.157 0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.975 -1.667 0.567 1.00 0.00 H new ATOM 1442 N LYS A 94 5.799 -10.060 -2.576 1.00 0.00 N ATOM 1443 CA LYS A 94 7.044 -10.670 -3.019 1.00 0.00 C ATOM 1444 C LYS A 94 7.422 -10.108 -4.387 1.00 0.00 C ATOM 1445 O LYS A 94 6.660 -10.236 -5.348 1.00 0.00 O ATOM 1446 CB LYS A 94 6.861 -12.206 -3.072 1.00 0.00 C ATOM 1447 CG LYS A 94 8.079 -13.028 -3.533 1.00 0.00 C ATOM 1448 CD LYS A 94 8.296 -12.972 -5.051 1.00 0.00 C ATOM 1449 CE LYS A 94 8.970 -14.229 -5.595 1.00 0.00 C ATOM 1450 NZ LYS A 94 10.289 -14.494 -4.965 1.00 0.00 N ATOM 0 H LYS A 94 4.969 -10.452 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 94 7.851 -10.442 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.574 -12.550 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.028 -12.427 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.972 -12.659 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.947 -14.066 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.335 -12.836 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.906 -12.102 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.316 -15.086 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.101 -14.128 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.416 -15.519 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.046 -14.122 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.330 -14.027 -4.037 1.00 0.00 H new ATOM 1464 N VAL A 95 8.584 -9.467 -4.466 1.00 0.00 N ATOM 1465 CA VAL A 95 9.130 -9.005 -5.742 1.00 0.00 C ATOM 1466 C VAL A 95 10.540 -9.557 -5.923 1.00 0.00 C ATOM 1467 O VAL A 95 11.397 -9.396 -5.047 1.00 0.00 O ATOM 1468 CB VAL A 95 9.144 -7.457 -5.858 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.720 -6.905 -5.932 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.908 -6.827 -4.696 1.00 0.00 C ATOM 0 H VAL A 95 9.170 -9.254 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 95 8.478 -9.377 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 95 9.660 -7.195 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.755 -5.819 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.215 -7.318 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.174 -7.185 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.902 -5.742 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.431 -7.102 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.937 -7.186 -4.700 1.00 0.00 H new ATOM 1480 N ASP A 96 10.759 -10.232 -7.052 1.00 0.00 N ATOM 1481 CA ASP A 96 12.026 -10.907 -7.337 1.00 0.00 C ATOM 1482 C ASP A 96 12.329 -11.962 -6.274 1.00 0.00 C ATOM 1483 O ASP A 96 12.065 -13.147 -6.479 1.00 0.00 O ATOM 1484 CB ASP A 96 13.190 -9.902 -7.467 1.00 0.00 C ATOM 1485 CG ASP A 96 13.182 -9.165 -8.800 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.552 -8.091 -8.900 1.00 0.00 O ATOM 1487 OD2 ASP A 96 13.809 -9.660 -9.763 1.00 0.00 O ATOM 0 H ASP A 96 10.065 -10.326 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 96 11.922 -11.410 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.132 -9.177 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.136 -10.431 -7.354 1.00 0.00 H new ATOM 1492 N ASN A 97 12.831 -11.533 -5.118 1.00 0.00 N ATOM 1493 CA ASN A 97 13.198 -12.466 -4.048 1.00 0.00 C ATOM 1494 C ASN A 97 12.864 -11.910 -2.660 1.00 0.00 C ATOM 1495 O ASN A 97 12.480 -12.663 -1.763 1.00 0.00 O ATOM 1496 CB ASN A 97 14.694 -12.811 -4.121 1.00 0.00 C ATOM 1497 CG ASN A 97 15.119 -13.785 -3.033 1.00 0.00 C ATOM 1498 OD1 ASN A 97 14.334 -14.628 -2.593 1.00 0.00 O ATOM 1499 ND2 ASN A 97 16.362 -13.679 -2.591 1.00 0.00 N ATOM 0 H ASN A 97 12.993 -10.551 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 97 12.608 -13.370 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.917 -13.241 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.280 -11.896 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.699 -14.308 -1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.983 -12.969 -2.979 1.00 0.00 H new ATOM 1506 N ARG A 98 13.004 -10.602 -2.481 1.00 0.00 N ATOM 1507 CA ARG A 98 12.822 -9.989 -1.162 1.00 0.00 C ATOM 1508 C ARG A 98 11.347 -9.696 -0.887 1.00 0.00 C ATOM 1509 O ARG A 98 10.573 -9.422 -1.808 1.00 0.00 O ATOM 1510 CB ARG A 98 13.675 -8.714 -1.030 1.00 0.00 C ATOM 1511 CG ARG A 98 15.166 -8.990 -0.803 1.00 0.00 C ATOM 1512 CD ARG A 98 15.818 -9.692 -1.994 1.00 0.00 C ATOM 1513 NE ARG A 98 17.166 -10.179 -1.685 1.00 0.00 N ATOM 1514 CZ ARG A 98 18.285 -9.700 -2.232 1.00 0.00 C ATOM 1515 NH1 ARG A 98 18.241 -8.668 -3.069 1.00 0.00 N ATOM 1516 NH2 ARG A 98 19.453 -10.251 -1.932 1.00 0.00 N ATOM 0 H ARG A 98 13.241 -9.945 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 98 13.162 -10.702 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.559 -8.115 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.295 -8.117 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.682 -8.049 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 98 15.287 -9.605 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.194 -10.530 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.868 -9.002 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 98 17.254 -10.935 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 98 17.346 -8.235 -3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.102 -8.309 -3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.494 -11.038 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.310 -9.887 -2.348 1.00 0.00 H new ATOM 1530 N LYS A 99 10.966 -9.775 0.390 1.00 0.00 N ATOM 1531 CA LYS A 99 9.578 -9.587 0.808 1.00 0.00 C ATOM 1532 C LYS A 99 9.459 -8.414 1.776 1.00 0.00 C ATOM 1533 O LYS A 99 10.122 -8.382 2.818 1.00 0.00 O ATOM 1534 CB LYS A 99 9.016 -10.853 1.482 1.00 0.00 C ATOM 1535 CG LYS A 99 8.621 -11.975 0.522 1.00 0.00 C ATOM 1536 CD LYS A 99 9.827 -12.692 -0.085 1.00 0.00 C ATOM 1537 CE LYS A 99 10.712 -13.333 0.982 1.00 0.00 C ATOM 1538 NZ LYS A 99 11.782 -14.177 0.385 1.00 0.00 N ATOM 0 H LYS A 99 11.608 -9.970 1.158 1.00 0.00 H new ATOM 0 HA LYS A 99 8.998 -9.379 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.761 -11.237 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.142 -10.575 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.003 -12.700 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.009 -11.561 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.481 -13.460 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.416 -11.982 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.165 -12.553 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.097 -13.942 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.648 -14.094 0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.472 -15.170 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.975 -13.858 -0.586 1.00 0.00 H new ATOM 1552 N PHE A 100 8.603 -7.466 1.428 1.00 0.00 N ATOM 1553 CA PHE A 100 8.311 -6.322 2.281 1.00 0.00 C ATOM 1554 C PHE A 100 6.843 -5.946 2.141 1.00 0.00 C ATOM 1555 O PHE A 100 6.231 -6.190 1.100 1.00 0.00 O ATOM 1556 CB PHE A 100 9.247 -5.128 1.974 1.00 0.00 C ATOM 1557 CG PHE A 100 9.584 -4.925 0.509 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.407 -5.826 -0.156 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.099 -3.832 -0.199 1.00 0.00 C ATOM 1560 CE1 PHE A 100 10.732 -5.643 -1.485 1.00 0.00 C ATOM 1561 CE2 PHE A 100 9.427 -3.648 -1.528 1.00 0.00 C ATOM 1562 CZ PHE A 100 10.241 -4.553 -2.169 1.00 0.00 C ATOM 0 H PHE A 100 8.090 -7.467 0.546 1.00 0.00 H new ATOM 0 HA PHE A 100 8.500 -6.598 3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.782 -4.217 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 100 10.176 -5.265 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.798 -6.682 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.458 -3.118 0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 100 11.371 -6.354 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 100 9.044 -2.793 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 100 10.495 -4.409 -3.209 1.00 0.00 H new ATOM 1572 N GLY A 101 6.274 -5.392 3.205 1.00 0.00 N ATOM 1573 CA GLY A 101 4.859 -5.073 3.215 1.00 0.00 C ATOM 1574 C GLY A 101 4.505 -4.005 4.228 1.00 0.00 C ATOM 1575 O GLY A 101 5.385 -3.329 4.767 1.00 0.00 O ATOM 0 H GLY A 101 6.770 -5.157 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.560 -4.739 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.289 -5.976 3.432 1.00 0.00 H new ATOM 1579 N LEU A 102 3.211 -3.872 4.505 1.00 0.00 N ATOM 1580 CA LEU A 102 2.703 -2.817 5.378 1.00 0.00 C ATOM 1581 C LEU A 102 1.808 -3.398 6.470 1.00 0.00 C ATOM 1582 O LEU A 102 1.120 -4.399 6.261 1.00 0.00 O ATOM 1583 CB LEU A 102 1.913 -1.783 4.559 1.00 0.00 C ATOM 1584 CG LEU A 102 2.708 -1.052 3.463 1.00 0.00 C ATOM 1585 CD1 LEU A 102 1.803 -0.102 2.680 1.00 0.00 C ATOM 1586 CD2 LEU A 102 3.891 -0.298 4.066 1.00 0.00 C ATOM 0 H LEU A 102 2.488 -4.488 4.133 1.00 0.00 H new ATOM 0 HA LEU A 102 3.556 -2.329 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.066 -2.286 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.505 -1.039 5.244 1.00 0.00 H new ATOM 0 HG LEU A 102 3.097 -1.798 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.386 0.404 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.999 -0.669 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.378 0.638 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.440 0.212 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.527 0.436 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.553 -1.002 4.570 1.00 0.00 H new ATOM 1598 N THR A 103 1.833 -2.766 7.635 1.00 0.00 N ATOM 1599 CA THR A 103 0.927 -3.097 8.727 1.00 0.00 C ATOM 1600 C THR A 103 0.162 -1.843 9.137 1.00 0.00 C ATOM 1601 O THR A 103 0.728 -0.918 9.723 1.00 0.00 O ATOM 1602 CB THR A 103 1.685 -3.687 9.934 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.432 -4.835 9.511 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.727 -4.088 11.053 1.00 0.00 C ATOM 0 H THR A 103 2.482 -2.009 7.850 1.00 0.00 H new ATOM 0 HA THR A 103 0.228 -3.859 8.382 1.00 0.00 H new ATOM 0 HB THR A 103 2.357 -2.921 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.785 -5.303 10.296 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.294 -4.500 11.888 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.172 -3.212 11.389 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.029 -4.839 10.683 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.117 -1.813 8.792 1.00 0.00 N ATOM 1613 CA PHE A 104 -1.947 -0.624 8.957 1.00 0.00 C ATOM 1614 C PHE A 104 -2.400 -0.439 10.401 1.00 0.00 C ATOM 1615 O PHE A 104 -2.267 -1.342 11.231 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.149 -0.714 8.020 1.00 0.00 C ATOM 1617 CG PHE A 104 -2.751 -0.741 6.567 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -2.525 0.440 5.876 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -2.586 -1.946 5.898 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.144 0.420 4.551 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -2.206 -1.970 4.571 1.00 0.00 C ATOM 1622 CZ PHE A 104 -1.984 -0.786 3.898 1.00 0.00 C ATOM 0 H PHE A 104 -1.610 -2.610 8.390 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.348 0.250 8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.720 -1.613 8.253 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.807 0.137 8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.649 1.386 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.757 -2.875 6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -1.971 1.347 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.083 -2.914 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.685 -0.803 2.860 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.945 0.741 10.684 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.343 1.108 12.041 1.00 0.00 C ATOM 1634 C GLN A 105 -4.807 0.748 12.300 1.00 0.00 C ATOM 1635 O GLN A 105 -5.147 0.244 13.375 1.00 0.00 O ATOM 1636 CB GLN A 105 -3.123 2.613 12.276 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.773 3.495 11.215 1.00 0.00 C ATOM 1638 CD GLN A 105 -3.827 4.966 11.582 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -2.969 5.479 12.301 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -4.844 5.652 11.086 1.00 0.00 N ATOM 0 H GLN A 105 -3.122 1.464 9.987 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.722 0.544 12.737 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.521 2.882 13.254 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.052 2.816 12.300 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.224 3.385 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.787 3.139 11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.533 5.187 10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.939 6.646 11.295 1.00 0.00 H new ATOM 1649 N SER A 106 -5.667 1.004 11.317 1.00 0.00 N ATOM 1650 CA SER A 106 -7.104 0.794 11.476 1.00 0.00 C ATOM 1651 C SER A 106 -7.702 0.143 10.226 1.00 0.00 C ATOM 1652 O SER A 106 -7.137 0.253 9.134 1.00 0.00 O ATOM 1653 CB SER A 106 -7.792 2.138 11.755 1.00 0.00 C ATOM 1654 OG SER A 106 -7.171 2.814 12.841 1.00 0.00 O ATOM 0 H SER A 106 -5.393 1.358 10.400 1.00 0.00 H new ATOM 0 HA SER A 106 -7.268 0.122 12.318 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.752 2.763 10.863 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.845 1.971 11.981 1.00 0.00 H new ATOM 0 HG SER A 106 -7.626 3.668 12.998 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.851 -0.553 10.368 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.548 -1.174 9.232 1.00 0.00 C ATOM 1662 C PRO A 107 -9.841 -0.171 8.114 1.00 0.00 C ATOM 1663 O PRO A 107 -9.845 -0.527 6.938 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.855 -1.694 9.852 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.537 -1.888 11.295 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.551 -0.805 11.645 1.00 0.00 C ATOM 0 HA PRO A 107 -8.949 -1.954 8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.668 -0.981 9.718 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.170 -2.628 9.387 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.435 -1.812 11.907 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.113 -2.876 11.473 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.052 0.091 12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.861 -1.127 12.425 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.085 1.082 8.495 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.360 2.149 7.534 1.00 0.00 C ATOM 1676 C ALA A 108 -9.229 2.287 6.515 1.00 0.00 C ATOM 1677 O ALA A 108 -9.415 2.010 5.327 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.582 3.474 8.259 1.00 0.00 C ATOM 0 H ALA A 108 -10.098 1.384 9.469 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.269 1.884 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.786 4.258 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.430 3.380 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.689 3.731 8.829 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.058 2.699 6.990 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.897 2.908 6.121 1.00 0.00 C ATOM 1686 C ASP A 109 -6.452 1.598 5.474 1.00 0.00 C ATOM 1687 O ASP A 109 -6.035 1.584 4.313 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.740 3.556 6.903 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.522 2.932 8.274 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -6.245 3.321 9.219 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.635 2.068 8.420 1.00 0.00 O ATOM 0 H ASP A 109 -7.884 2.896 7.975 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.192 3.590 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.823 3.469 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.942 4.620 7.023 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.568 0.501 6.218 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.231 -0.826 5.705 1.00 0.00 C ATOM 1698 C ALA A 110 -7.066 -1.172 4.468 1.00 0.00 C ATOM 1699 O ALA A 110 -6.533 -1.365 3.370 1.00 0.00 O ATOM 1700 CB ALA A 110 -6.434 -1.872 6.797 1.00 0.00 C ATOM 0 H ALA A 110 -6.895 0.505 7.184 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.183 -0.822 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.181 -2.858 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.791 -1.641 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -7.476 -1.865 7.118 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.382 -1.223 4.653 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.306 -1.588 3.579 1.00 0.00 C ATOM 1708 C ARG A 111 -9.285 -0.540 2.468 1.00 0.00 C ATOM 1709 O ARG A 111 -9.583 -0.842 1.310 1.00 0.00 O ATOM 1710 CB ARG A 111 -10.729 -1.744 4.133 1.00 0.00 C ATOM 1711 CG ARG A 111 -10.861 -2.829 5.202 1.00 0.00 C ATOM 1712 CD ARG A 111 -12.249 -2.838 5.840 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.302 -3.173 4.878 1.00 0.00 N ATOM 1714 CZ ARG A 111 -14.612 -3.109 5.141 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -15.043 -2.712 6.334 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -15.492 -3.445 4.207 1.00 0.00 N ATOM 0 H ARG A 111 -8.837 -1.015 5.542 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.984 -2.541 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.051 -0.792 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.406 -1.974 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.661 -3.803 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.108 -2.671 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -12.265 -3.558 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -12.454 -1.859 6.273 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.017 -3.475 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -14.373 -2.453 7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.044 -2.666 6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -15.170 -3.752 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.491 -3.397 4.407 1.00 0.00 H new ATOM 1730 N ALA A 112 -8.936 0.694 2.830 1.00 0.00 N ATOM 1731 CA ALA A 112 -8.831 1.780 1.860 1.00 0.00 C ATOM 1732 C ALA A 112 -7.651 1.554 0.922 1.00 0.00 C ATOM 1733 O ALA A 112 -7.766 1.746 -0.289 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.692 3.122 2.573 1.00 0.00 C ATOM 0 H ALA A 112 -8.721 0.965 3.789 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.744 1.795 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.615 3.920 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.566 3.292 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.795 3.114 3.193 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.521 1.134 1.483 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.314 0.908 0.695 1.00 0.00 C ATOM 1742 C PHE A 113 -5.481 -0.349 -0.163 1.00 0.00 C ATOM 1743 O PHE A 113 -5.020 -0.397 -1.305 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.091 0.783 1.615 1.00 0.00 C ATOM 1745 CG PHE A 113 -2.786 1.183 0.965 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.189 0.377 0.005 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.153 2.365 1.323 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -0.989 0.742 -0.580 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -0.957 2.736 0.740 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.374 1.922 -0.213 1.00 0.00 C ATOM 0 H PHE A 113 -6.416 0.943 2.480 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.155 1.761 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.249 1.402 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.012 -0.248 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.667 -0.546 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.602 3.004 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.534 0.104 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.478 3.660 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.562 2.209 -0.670 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.146 -1.360 0.399 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.518 -2.567 -0.353 1.00 0.00 C ATOM 1762 C ASP A 114 -7.326 -2.170 -1.578 1.00 0.00 C ATOM 1763 O ASP A 114 -7.032 -2.563 -2.707 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.356 -3.502 0.527 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.709 -4.822 -0.160 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.880 -5.760 -0.139 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -8.829 -4.935 -0.707 1.00 0.00 O ATOM 0 H ASP A 114 -6.440 -1.370 1.376 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.611 -3.087 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.808 -3.713 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.276 -2.992 0.814 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.355 -1.382 -1.320 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.177 -0.788 -2.377 1.00 0.00 C ATOM 1774 C ARG A 115 -8.309 0.022 -3.347 1.00 0.00 C ATOM 1775 O ARG A 115 -8.547 0.025 -4.558 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.259 0.107 -1.757 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.145 0.826 -2.773 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.221 1.652 -2.079 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.052 2.397 -3.029 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.364 2.585 -2.881 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -15.021 1.974 -1.900 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.022 3.348 -3.740 1.00 0.00 N ATOM 0 H ARG A 115 -8.650 -1.132 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.657 -1.590 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.890 -0.503 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.778 0.851 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.532 1.475 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.613 0.095 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.854 0.993 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.750 2.350 -1.387 1.00 0.00 H new ATOM 0 HE ARG A 115 -12.600 2.795 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -14.522 1.359 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -16.024 2.120 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -14.525 3.791 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.025 3.493 -3.629 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.299 0.695 -2.799 1.00 0.00 N ATOM 1797 CA GLY A 116 -6.386 1.484 -3.607 1.00 0.00 C ATOM 1798 C GLY A 116 -5.626 0.640 -4.614 1.00 0.00 C ATOM 1799 O GLY A 116 -5.628 0.937 -5.810 1.00 0.00 O ATOM 0 H GLY A 116 -7.097 0.707 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.946 2.256 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.676 1.994 -2.955 1.00 0.00 H new ATOM 1803 N VAL A 117 -4.983 -0.428 -4.134 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.231 -1.325 -5.010 1.00 0.00 C ATOM 1805 C VAL A 117 -5.187 -2.065 -5.943 1.00 0.00 C ATOM 1806 O VAL A 117 -4.825 -2.431 -7.062 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.379 -2.351 -4.213 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.261 -3.337 -3.449 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.408 -3.087 -5.139 1.00 0.00 C ATOM 0 H VAL A 117 -4.969 -0.690 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.545 -0.709 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.795 -1.797 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.632 -4.040 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.891 -2.792 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.890 -3.883 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.822 -3.800 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.970 -3.619 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.739 -2.367 -5.611 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.417 -2.267 -5.471 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.463 -2.899 -6.264 1.00 0.00 C ATOM 1821 C ARG A 118 -7.690 -2.077 -7.534 1.00 0.00 C ATOM 1822 O ARG A 118 -7.583 -2.594 -8.653 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.758 -2.994 -5.434 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.715 -4.124 -5.828 1.00 0.00 C ATOM 1825 CD ARG A 118 -10.296 -3.964 -7.231 1.00 0.00 C ATOM 1826 NE ARG A 118 -11.341 -4.956 -7.491 1.00 0.00 N ATOM 1827 CZ ARG A 118 -11.244 -5.951 -8.376 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -10.149 -6.096 -9.111 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -12.248 -6.803 -8.524 1.00 0.00 N ATOM 0 H ARG A 118 -6.712 -1.998 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.163 -3.909 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.488 -3.120 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.290 -2.046 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.187 -5.075 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.532 -4.167 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.708 -2.961 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.501 -4.068 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 118 -12.207 -4.881 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.372 -5.444 -9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.084 -6.859 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -13.093 -6.698 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -12.176 -7.564 -9.200 1.00 0.00 H new ATOM 1843 N LYS A 119 -7.974 -0.787 -7.348 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.200 0.116 -8.470 1.00 0.00 C ATOM 1845 C LYS A 119 -6.914 0.303 -9.266 1.00 0.00 C ATOM 1846 O LYS A 119 -6.950 0.440 -10.485 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.715 1.484 -8.001 1.00 0.00 C ATOM 1848 CG LYS A 119 -9.027 2.429 -9.161 1.00 0.00 C ATOM 1849 CD LYS A 119 -9.406 3.829 -8.693 1.00 0.00 C ATOM 1850 CE LYS A 119 -9.769 4.727 -9.872 1.00 0.00 C ATOM 1851 NZ LYS A 119 -8.657 4.845 -10.856 1.00 0.00 N ATOM 0 H LYS A 119 -8.052 -0.347 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.962 -0.337 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.614 1.343 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.970 1.945 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.158 2.492 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.843 2.015 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.249 3.769 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.575 4.268 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.652 4.328 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.032 5.719 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.509 5.846 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.786 4.455 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.899 4.316 -11.718 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.780 0.314 -8.570 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.479 0.452 -9.220 1.00 0.00 C ATOM 1867 C ALA A 120 -4.282 -0.646 -10.263 1.00 0.00 C ATOM 1868 O ALA A 120 -4.090 -0.371 -11.450 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.358 0.418 -8.184 1.00 0.00 C ATOM 0 H ALA A 120 -5.736 0.229 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.447 1.416 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.396 0.522 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.490 1.238 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.387 -0.530 -7.648 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.357 -1.894 -9.816 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.220 -3.037 -10.708 1.00 0.00 C ATOM 1877 C ILE A 121 -5.354 -3.046 -11.732 1.00 0.00 C ATOM 1878 O ILE A 121 -5.179 -3.505 -12.861 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.195 -4.376 -9.922 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -2.997 -4.409 -8.960 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.140 -5.570 -10.876 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -1.652 -4.323 -9.656 1.00 0.00 C ATOM 0 H ILE A 121 -4.512 -2.140 -8.838 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.267 -2.940 -11.229 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.115 -4.445 -9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.085 -3.582 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.036 -5.329 -8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.123 -6.495 -10.300 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.018 -5.560 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.239 -5.507 -11.487 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -0.855 -4.352 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.542 -5.165 -10.340 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.591 -3.390 -10.217 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.511 -2.510 -11.341 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.641 -2.403 -12.254 1.00 0.00 C ATOM 1896 C GLU A 122 -7.304 -1.461 -13.413 1.00 0.00 C ATOM 1897 O GLU A 122 -7.541 -1.792 -14.581 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.900 -1.922 -11.521 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.149 -1.929 -12.392 1.00 0.00 C ATOM 1900 CD GLU A 122 -11.390 -1.482 -11.643 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.622 -0.256 -11.546 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -12.140 -2.350 -11.147 1.00 0.00 O ATOM 0 H GLU A 122 -6.686 -2.147 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.844 -3.395 -12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.069 -2.557 -10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.731 -0.911 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.992 -1.275 -13.249 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.308 -2.934 -12.783 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.726 -0.303 -13.080 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.299 0.678 -14.080 1.00 0.00 C ATOM 1911 C ASP A 123 -5.209 0.073 -14.959 1.00 0.00 C ATOM 1912 O ASP A 123 -5.118 0.363 -16.155 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.766 1.967 -13.412 1.00 0.00 C ATOM 1914 CG ASP A 123 -6.828 2.783 -12.674 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -8.037 2.508 -12.831 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -6.454 3.731 -11.942 1.00 0.00 O ATOM 0 H ASP A 123 -6.542 -0.021 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.165 0.941 -14.688 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.978 1.698 -12.708 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.309 2.595 -14.177 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.383 -0.772 -14.345 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.313 -1.471 -15.052 1.00 0.00 C ATOM 1923 C LEU A 124 -3.883 -2.436 -16.098 1.00 0.00 C ATOM 1924 O LEU A 124 -3.662 -2.263 -17.301 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.435 -2.235 -14.048 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.270 -3.037 -14.656 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.266 -2.109 -15.335 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.592 -3.888 -13.584 1.00 0.00 C ATOM 0 H LEU A 124 -4.436 -0.990 -13.350 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.704 -0.731 -15.572 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.026 -1.521 -13.333 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.070 -2.920 -13.486 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.673 -3.705 -15.418 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.548 -2.699 -15.757 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.763 -1.555 -16.131 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.136 -1.409 -14.602 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.229 -4.449 -14.030 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.204 -3.241 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.317 -4.582 -13.159 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.624 -3.446 -15.636 1.00 0.00 N ATOM 1941 CA ILE A 125 -5.150 -4.487 -16.522 1.00 0.00 C ATOM 1942 C ILE A 125 -6.282 -5.278 -15.832 1.00 0.00 C ATOM 1943 O ILE A 125 -6.559 -6.428 -16.179 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.004 -5.447 -16.962 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.467 -6.396 -18.086 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -3.469 -6.234 -15.765 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -3.391 -7.346 -18.574 1.00 0.00 C ATOM 0 H ILE A 125 -4.873 -3.565 -14.654 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.566 -4.006 -17.408 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.192 -4.838 -17.360 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.316 -6.978 -17.729 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.820 -5.800 -18.928 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.670 -6.898 -16.094 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.081 -5.541 -15.018 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.275 -6.824 -15.328 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.796 -7.979 -19.364 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.549 -6.773 -18.964 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.053 -7.969 -17.746 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.956 -4.628 -14.878 1.00 0.00 N ATOM 1960 CA GLU A 126 -8.043 -5.248 -14.108 1.00 0.00 C ATOM 1961 C GLU A 126 -7.519 -6.407 -13.242 1.00 0.00 C ATOM 1962 O GLU A 126 -7.066 -6.144 -12.108 1.00 0.00 O ATOM 1963 CB GLU A 126 -9.174 -5.724 -15.038 1.00 0.00 C ATOM 1964 CG GLU A 126 -10.417 -6.211 -14.299 1.00 0.00 C ATOM 1965 CD GLU A 126 -11.487 -6.736 -15.243 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -12.276 -5.925 -15.766 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -11.537 -7.965 -15.469 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.556 -7.574 -13.695 1.00 0.00 O ATOM 0 H GLU A 126 -6.766 -3.660 -14.617 1.00 0.00 H new ATOM 0 HA GLU A 126 -8.452 -4.491 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.455 -4.906 -15.701 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.798 -6.530 -15.668 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.135 -6.999 -13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.828 -5.393 -13.708 1.00 0.00 H new