USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 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 -162:sc= 0 (180deg=-0.608) USER MOD Set 1.2: A 103 THR OG1 : rot -44:sc= 0.781 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 173:sc= 0.705 (180deg=0.626) USER MOD Set 2.2: A 106 SER OG : rot -7:sc= 0.0658 USER MOD Set 3.1: A 14 TYR OH : rot 97:sc= 1.41 USER MOD Set 3.2: A 62 HIS : no HE2:sc= 0.522 K(o=1.9,f=-5.8!) USER MOD Single : A 13 SER OG : rot 31:sc= 0.307 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 82:sc= 0.156 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.499 F(o=-2.4,f=-0.5) USER MOD Single : A 41 SER OG : rot -90:sc= -0.32 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.57! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 158:sc= -0.227 (180deg=-0.795) USER MOD Single : A 66 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.74) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0.997 (180deg=0.676) USER MOD Single : A 75 CYS SG : rot -109:sc= -0.732! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.145) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 84 THR OG1 : rot -14:sc= 0.668 USER MOD Single : A 85 LYS NZ :NH3+ -117:sc= 0.365 (180deg=-2.49!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 89 THR OG1 : rot -38:sc= 0.589 USER MOD Single : A 91 HIS : no HE2:sc= -3.04! C(o=-3!,f=-8.7!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -2.74 F(o=-3.3,f=-2.7) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= -0.0416 (180deg=-0.106) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.74 K(o=-1.7,f=-8!) USER MOD Single : A 119 LYS NZ :NH3+ -101:sc= -2.41 (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 2.498 13.900 -7.246 1.00 0.00 N ATOM 164 CA SER A 13 1.701 12.933 -8.002 1.00 0.00 C ATOM 165 C SER A 13 1.077 11.855 -7.103 1.00 0.00 C ATOM 166 O SER A 13 0.557 10.850 -7.597 1.00 0.00 O ATOM 167 CB SER A 13 2.589 12.288 -9.071 1.00 0.00 C ATOM 168 OG SER A 13 3.335 13.278 -9.766 1.00 0.00 O ATOM 0 HA SER A 13 0.872 13.466 -8.468 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.268 11.574 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.972 11.729 -9.775 1.00 0.00 H new ATOM 0 HG SER A 13 3.517 14.032 -9.166 1.00 0.00 H new ATOM 174 N TYR A 14 1.129 12.059 -5.789 1.00 0.00 N ATOM 175 CA TYR A 14 0.491 11.141 -4.846 1.00 0.00 C ATOM 176 C TYR A 14 -1.028 11.192 -4.995 1.00 0.00 C ATOM 177 O TYR A 14 -1.656 12.213 -4.700 1.00 0.00 O ATOM 178 CB TYR A 14 0.886 11.473 -3.399 1.00 0.00 C ATOM 179 CG TYR A 14 2.114 10.730 -2.900 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.396 11.138 -3.248 1.00 0.00 C ATOM 181 CD2 TYR A 14 1.984 9.630 -2.060 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.510 10.473 -2.770 1.00 0.00 C ATOM 183 CE2 TYR A 14 3.093 8.959 -1.585 1.00 0.00 C ATOM 184 CZ TYR A 14 4.352 9.388 -1.938 1.00 0.00 C ATOM 185 OH TYR A 14 5.454 8.728 -1.452 1.00 0.00 O ATOM 0 H TYR A 14 1.605 12.849 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 14 0.837 10.133 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.068 12.545 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.046 11.244 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.524 11.988 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.998 9.294 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.500 10.803 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.973 8.101 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 14 5.665 9.060 -0.555 1.00 0.00 H new ATOM 195 N ILE A 15 -1.610 10.092 -5.465 1.00 0.00 N ATOM 196 CA ILE A 15 -3.058 9.989 -5.621 1.00 0.00 C ATOM 197 C ILE A 15 -3.687 9.392 -4.363 1.00 0.00 C ATOM 198 O ILE A 15 -4.851 9.653 -4.052 1.00 0.00 O ATOM 199 CB ILE A 15 -3.441 9.134 -6.858 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.851 7.715 -6.750 1.00 0.00 C ATOM 201 CG2 ILE A 15 -2.971 9.817 -8.143 1.00 0.00 C ATOM 202 CD1 ILE A 15 -3.230 6.798 -7.895 1.00 0.00 C ATOM 0 H ILE A 15 -1.098 9.256 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.444 10.997 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.527 9.045 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.765 7.788 -6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.183 7.266 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.247 9.205 -9.002 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.443 10.796 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.888 9.937 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.775 5.819 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.314 6.692 -7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.874 7.222 -8.834 1.00 0.00 H new ATOM 214 N VAL A 16 -2.905 8.592 -3.637 1.00 0.00 N ATOM 215 CA VAL A 16 -3.362 7.956 -2.401 1.00 0.00 C ATOM 216 C VAL A 16 -2.290 8.079 -1.316 1.00 0.00 C ATOM 217 O VAL A 16 -1.104 7.906 -1.592 1.00 0.00 O ATOM 218 CB VAL A 16 -3.693 6.451 -2.619 1.00 0.00 C ATOM 219 CG1 VAL A 16 -4.140 5.789 -1.314 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.760 6.275 -3.701 1.00 0.00 C ATOM 0 H VAL A 16 -1.942 8.368 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.271 8.469 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.780 5.958 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.364 4.738 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.342 5.866 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.032 6.290 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.972 5.214 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.671 6.793 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.398 6.692 -4.641 1.00 0.00 H new ATOM 230 N ARG A 17 -2.713 8.387 -0.091 1.00 0.00 N ATOM 231 CA ARG A 17 -1.810 8.442 1.059 1.00 0.00 C ATOM 232 C ARG A 17 -2.425 7.683 2.235 1.00 0.00 C ATOM 233 O ARG A 17 -3.543 7.983 2.657 1.00 0.00 O ATOM 234 CB ARG A 17 -1.525 9.898 1.468 1.00 0.00 C ATOM 235 CG ARG A 17 -0.620 10.030 2.699 1.00 0.00 C ATOM 236 CD ARG A 17 0.830 9.650 2.398 1.00 0.00 C ATOM 237 NE ARG A 17 1.502 10.668 1.589 1.00 0.00 N ATOM 238 CZ ARG A 17 2.815 10.700 1.338 1.00 0.00 C ATOM 239 NH1 ARG A 17 3.620 9.735 1.772 1.00 0.00 N ATOM 240 NH2 ARG A 17 3.316 11.702 0.638 1.00 0.00 N ATOM 0 H ARG A 17 -3.684 8.604 0.132 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.866 7.976 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.060 10.417 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.471 10.401 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.656 11.056 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.002 9.394 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.372 9.514 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.854 8.695 1.874 1.00 0.00 H new ATOM 0 HE ARG A 17 0.926 11.408 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.238 8.954 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.619 9.776 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.703 12.441 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.316 11.736 0.441 1.00 0.00 H new ATOM 254 N VAL A 18 -1.698 6.698 2.747 1.00 0.00 N ATOM 255 CA VAL A 18 -2.145 5.897 3.885 1.00 0.00 C ATOM 256 C VAL A 18 -1.111 5.947 5.010 1.00 0.00 C ATOM 257 O VAL A 18 -0.042 6.547 4.860 1.00 0.00 O ATOM 258 CB VAL A 18 -2.397 4.420 3.479 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.526 4.320 2.452 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.117 3.775 2.944 1.00 0.00 C ATOM 0 H VAL A 18 -0.782 6.430 2.387 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.086 6.322 4.234 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.703 3.874 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.683 3.275 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.443 4.727 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.258 4.887 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.319 2.741 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.771 4.325 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.347 3.800 3.715 1.00 0.00 H new ATOM 270 N LYS A 19 -1.431 5.315 6.130 1.00 0.00 N ATOM 271 CA LYS A 19 -0.534 5.271 7.279 1.00 0.00 C ATOM 272 C LYS A 19 -0.428 3.842 7.799 1.00 0.00 C ATOM 273 O LYS A 19 -1.438 3.201 8.079 1.00 0.00 O ATOM 274 CB LYS A 19 -1.032 6.217 8.385 1.00 0.00 C ATOM 275 CG LYS A 19 -2.471 5.954 8.826 1.00 0.00 C ATOM 276 CD LYS A 19 -2.916 6.914 9.927 1.00 0.00 C ATOM 277 CE LYS A 19 -4.370 6.687 10.328 1.00 0.00 C ATOM 278 NZ LYS A 19 -4.598 5.322 10.874 1.00 0.00 N ATOM 0 H LYS A 19 -2.313 4.821 6.269 1.00 0.00 H new ATOM 0 HA LYS A 19 0.456 5.604 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.375 6.126 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.953 7.245 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.137 6.052 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.559 4.928 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.275 6.787 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.790 7.941 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.659 7.427 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.012 6.841 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.568 5.253 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.463 4.619 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.923 5.139 11.643 1.00 0.00 H new ATOM 292 N ALA A 20 0.796 3.348 7.900 1.00 0.00 N ATOM 293 CA ALA A 20 1.053 1.992 8.367 1.00 0.00 C ATOM 294 C ALA A 20 2.530 1.840 8.702 1.00 0.00 C ATOM 295 O ALA A 20 3.301 2.783 8.533 1.00 0.00 O ATOM 296 CB ALA A 20 0.635 0.973 7.308 1.00 0.00 C ATOM 0 H ALA A 20 1.638 3.873 7.662 1.00 0.00 H new ATOM 0 HA ALA A 20 0.464 1.806 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.834 -0.034 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.430 1.080 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.202 1.146 6.393 1.00 0.00 H new ATOM 302 N VAL A 21 2.925 0.670 9.189 1.00 0.00 N ATOM 303 CA VAL A 21 4.334 0.395 9.462 1.00 0.00 C ATOM 304 C VAL A 21 4.938 -0.430 8.330 1.00 0.00 C ATOM 305 O VAL A 21 4.495 -1.554 8.071 1.00 0.00 O ATOM 306 CB VAL A 21 4.531 -0.358 10.800 1.00 0.00 C ATOM 307 CG1 VAL A 21 6.017 -0.605 11.067 1.00 0.00 C ATOM 308 CG2 VAL A 21 3.888 0.411 11.955 1.00 0.00 C ATOM 0 H VAL A 21 2.294 -0.102 9.403 1.00 0.00 H new ATOM 0 HA VAL A 21 4.840 1.358 9.536 1.00 0.00 H new ATOM 0 HB VAL A 21 4.036 -1.326 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.134 -1.135 12.012 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.437 -1.205 10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.541 0.349 11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.039 -0.137 12.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.346 1.397 12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.820 0.522 11.768 1.00 0.00 H new ATOM 318 N VAL A 22 5.939 0.133 7.654 1.00 0.00 N ATOM 319 CA VAL A 22 6.604 -0.552 6.550 1.00 0.00 C ATOM 320 C VAL A 22 7.379 -1.779 7.044 1.00 0.00 C ATOM 321 O VAL A 22 8.408 -1.661 7.718 1.00 0.00 O ATOM 322 CB VAL A 22 7.551 0.400 5.765 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.745 1.454 5.009 1.00 0.00 C ATOM 324 CG2 VAL A 22 8.566 1.064 6.696 1.00 0.00 C ATOM 0 H VAL A 22 6.307 1.063 7.853 1.00 0.00 H new ATOM 0 HA VAL A 22 5.822 -0.886 5.868 1.00 0.00 H new ATOM 0 HB VAL A 22 8.104 -0.199 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.424 2.111 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.074 0.963 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.160 2.042 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.213 1.723 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.040 1.645 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.170 0.298 7.182 1.00 0.00 H new ATOM 334 N MET A 23 6.867 -2.955 6.711 1.00 0.00 N ATOM 335 CA MET A 23 7.489 -4.216 7.097 1.00 0.00 C ATOM 336 C MET A 23 8.147 -4.866 5.890 1.00 0.00 C ATOM 337 O MET A 23 7.907 -4.469 4.747 1.00 0.00 O ATOM 338 CB MET A 23 6.448 -5.174 7.696 1.00 0.00 C ATOM 339 CG MET A 23 5.868 -4.708 9.024 1.00 0.00 C ATOM 340 SD MET A 23 7.108 -4.637 10.332 1.00 0.00 S ATOM 341 CE MET A 23 6.099 -4.153 11.732 1.00 0.00 C ATOM 0 H MET A 23 6.011 -3.063 6.167 1.00 0.00 H new ATOM 0 HA MET A 23 8.247 -4.006 7.852 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.635 -5.303 6.982 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.908 -6.152 7.836 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.423 -3.721 8.896 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.067 -5.383 9.324 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.738 -3.761 12.523 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.392 -3.384 11.422 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.552 -5.020 12.104 1.00 0.00 H new ATOM 351 N THR A 24 8.975 -5.863 6.150 1.00 0.00 N ATOM 352 CA THR A 24 9.637 -6.607 5.096 1.00 0.00 C ATOM 353 C THR A 24 10.124 -7.940 5.638 1.00 0.00 C ATOM 354 O THR A 24 10.404 -8.066 6.831 1.00 0.00 O ATOM 355 CB THR A 24 10.832 -5.813 4.519 1.00 0.00 C ATOM 356 OG1 THR A 24 11.411 -6.513 3.410 1.00 0.00 O ATOM 357 CG2 THR A 24 11.893 -5.566 5.580 1.00 0.00 C ATOM 0 H THR A 24 9.206 -6.177 7.093 1.00 0.00 H new ATOM 0 HA THR A 24 8.918 -6.775 4.294 1.00 0.00 H new ATOM 0 HB THR A 24 10.454 -4.849 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.165 -5.997 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.720 -5.006 5.144 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.460 -4.994 6.401 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.260 -6.521 5.957 1.00 0.00 H new ATOM 365 N ARG A 25 10.188 -8.938 4.774 1.00 0.00 N ATOM 366 CA ARG A 25 10.755 -10.226 5.133 1.00 0.00 C ATOM 367 C ARG A 25 11.935 -10.527 4.221 1.00 0.00 C ATOM 368 O ARG A 25 11.758 -10.912 3.062 1.00 0.00 O ATOM 369 CB ARG A 25 9.702 -11.342 5.048 1.00 0.00 C ATOM 370 CG ARG A 25 10.268 -12.733 5.326 1.00 0.00 C ATOM 371 CD ARG A 25 9.181 -13.798 5.397 1.00 0.00 C ATOM 372 NE ARG A 25 9.749 -15.150 5.422 1.00 0.00 N ATOM 373 CZ ARG A 25 9.552 -16.043 6.393 1.00 0.00 C ATOM 374 NH1 ARG A 25 8.800 -15.746 7.444 1.00 0.00 N ATOM 375 NH2 ARG A 25 10.107 -17.242 6.302 1.00 0.00 N ATOM 0 H ARG A 25 9.852 -8.880 3.813 1.00 0.00 H new ATOM 0 HA ARG A 25 11.099 -10.183 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.904 -11.133 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.253 -11.333 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.980 -12.996 4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.819 -12.717 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.575 -13.641 6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.516 -13.698 4.539 1.00 0.00 H new ATOM 0 HE ARG A 25 10.339 -15.428 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.365 -14.826 7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.657 -16.437 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.681 -17.478 5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.960 -17.929 7.041 1.00 0.00 H new ATOM 389 N ASP A 26 13.140 -10.304 4.737 1.00 0.00 N ATOM 390 CA ASP A 26 14.356 -10.561 3.977 1.00 0.00 C ATOM 391 C ASP A 26 14.532 -12.065 3.792 1.00 0.00 C ATOM 392 O ASP A 26 15.198 -12.729 4.592 1.00 0.00 O ATOM 393 CB ASP A 26 15.578 -9.947 4.677 1.00 0.00 C ATOM 394 CG ASP A 26 16.848 -10.050 3.844 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.007 -9.254 2.894 1.00 0.00 O ATOM 396 OD2 ASP A 26 17.698 -10.916 4.137 1.00 0.00 O ATOM 0 H ASP A 26 13.299 -9.946 5.679 1.00 0.00 H new ATOM 0 HA ASP A 26 14.269 -10.092 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.377 -8.898 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.734 -10.448 5.632 1.00 0.00 H new ATOM 401 N ASP A 27 13.870 -12.595 2.763 1.00 0.00 N ATOM 402 CA ASP A 27 13.844 -14.032 2.484 1.00 0.00 C ATOM 403 C ASP A 27 13.140 -14.777 3.621 1.00 0.00 C ATOM 404 O ASP A 27 11.947 -15.075 3.529 1.00 0.00 O ATOM 405 CB ASP A 27 15.260 -14.589 2.259 1.00 0.00 C ATOM 406 CG ASP A 27 15.255 -16.059 1.863 1.00 0.00 C ATOM 407 OD1 ASP A 27 15.227 -16.927 2.763 1.00 0.00 O ATOM 408 OD2 ASP A 27 15.282 -16.352 0.649 1.00 0.00 O ATOM 0 H ASP A 27 13.335 -12.038 2.097 1.00 0.00 H new ATOM 0 HA ASP A 27 13.284 -14.187 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.755 -14.009 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.845 -14.464 3.170 1.00 0.00 H new ATOM 413 N SER A 28 13.873 -15.042 4.700 1.00 0.00 N ATOM 414 CA SER A 28 13.323 -15.714 5.879 1.00 0.00 C ATOM 415 C SER A 28 14.041 -15.243 7.146 1.00 0.00 C ATOM 416 O SER A 28 13.962 -15.888 8.193 1.00 0.00 O ATOM 417 CB SER A 28 13.450 -17.236 5.731 1.00 0.00 C ATOM 418 OG SER A 28 12.804 -17.691 4.552 1.00 0.00 O ATOM 0 H SER A 28 14.860 -14.799 4.784 1.00 0.00 H new ATOM 0 HA SER A 28 12.267 -15.458 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.503 -17.515 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.013 -17.727 6.601 1.00 0.00 H new ATOM 0 HG SER A 28 13.400 -17.569 3.784 1.00 0.00 H new ATOM 424 N SER A 29 14.727 -14.105 7.043 1.00 0.00 N ATOM 425 CA SER A 29 15.471 -13.537 8.162 1.00 0.00 C ATOM 426 C SER A 29 14.524 -13.128 9.294 1.00 0.00 C ATOM 427 O SER A 29 14.028 -11.999 9.322 1.00 0.00 O ATOM 428 CB SER A 29 16.296 -12.330 7.688 1.00 0.00 C ATOM 429 OG SER A 29 16.969 -11.697 8.767 1.00 0.00 O ATOM 0 H SER A 29 14.781 -13.555 6.186 1.00 0.00 H new ATOM 0 HA SER A 29 16.150 -14.298 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.025 -12.656 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.640 -11.611 7.196 1.00 0.00 H new ATOM 0 HG SER A 29 17.485 -10.935 8.429 1.00 0.00 H new ATOM 435 N GLY A 30 14.261 -14.064 10.205 1.00 0.00 N ATOM 436 CA GLY A 30 13.375 -13.803 11.328 1.00 0.00 C ATOM 437 C GLY A 30 11.911 -13.812 10.923 1.00 0.00 C ATOM 438 O GLY A 30 11.133 -14.661 11.374 1.00 0.00 O ATOM 0 H GLY A 30 14.650 -15.007 10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.540 -14.554 12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.622 -12.836 11.766 1.00 0.00 H new ATOM 442 N GLY A 31 11.542 -12.870 10.065 1.00 0.00 N ATOM 443 CA GLY A 31 10.177 -12.755 9.593 1.00 0.00 C ATOM 444 C GLY A 31 9.897 -11.361 9.076 1.00 0.00 C ATOM 445 O GLY A 31 10.756 -10.761 8.425 1.00 0.00 O ATOM 0 H GLY A 31 12.178 -12.171 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.000 -13.483 8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.487 -12.991 10.403 1.00 0.00 H new ATOM 449 N TRP A 32 8.709 -10.841 9.365 1.00 0.00 N ATOM 450 CA TRP A 32 8.352 -9.482 8.976 1.00 0.00 C ATOM 451 C TRP A 32 8.978 -8.483 9.942 1.00 0.00 C ATOM 452 O TRP A 32 8.427 -8.204 11.009 1.00 0.00 O ATOM 453 CB TRP A 32 6.826 -9.309 8.932 1.00 0.00 C ATOM 454 CG TRP A 32 6.173 -10.174 7.899 1.00 0.00 C ATOM 455 CD1 TRP A 32 5.476 -11.329 8.104 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.174 -9.949 6.490 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.038 -11.832 6.902 1.00 0.00 N ATOM 458 CE2 TRP A 32 5.454 -11.000 5.896 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.711 -8.951 5.674 1.00 0.00 C ATOM 460 CZ2 TRP A 32 5.262 -11.083 4.522 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.518 -9.033 4.314 1.00 0.00 C ATOM 462 CH2 TRP A 32 5.799 -10.091 3.748 1.00 0.00 C ATOM 0 H TRP A 32 7.976 -11.341 9.868 1.00 0.00 H new ATOM 0 HA TRP A 32 8.740 -9.294 7.975 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.410 -9.544 9.912 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.589 -8.265 8.727 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.295 -11.781 9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.493 -12.685 6.779 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.267 -8.130 6.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.710 -11.900 4.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.929 -8.267 3.673 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.665 -10.125 2.677 1.00 0.00 H new ATOM 473 N PHE A 33 10.154 -7.981 9.583 1.00 0.00 N ATOM 474 CA PHE A 33 10.880 -7.044 10.430 1.00 0.00 C ATOM 475 C PHE A 33 10.750 -5.621 9.888 1.00 0.00 C ATOM 476 O PHE A 33 10.712 -5.416 8.670 1.00 0.00 O ATOM 477 CB PHE A 33 12.363 -7.451 10.544 1.00 0.00 C ATOM 478 CG PHE A 33 13.204 -7.205 9.307 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.119 -8.040 8.197 1.00 0.00 C ATOM 480 CD2 PHE A 33 14.109 -6.150 9.271 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.913 -7.825 7.088 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.899 -5.930 8.159 1.00 0.00 C ATOM 483 CZ PHE A 33 14.801 -6.768 7.069 1.00 0.00 C ATOM 0 H PHE A 33 10.626 -8.209 8.708 1.00 0.00 H new ATOM 0 HA PHE A 33 10.442 -7.072 11.428 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.808 -6.908 11.378 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.413 -8.511 10.791 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.424 -8.866 8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.196 -5.493 10.124 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.839 -8.484 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.593 -5.102 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.419 -6.598 6.200 1.00 0.00 H new ATOM 493 N PRO A 34 10.648 -4.620 10.783 1.00 0.00 N ATOM 494 CA PRO A 34 10.601 -3.214 10.381 1.00 0.00 C ATOM 495 C PRO A 34 11.946 -2.753 9.817 1.00 0.00 C ATOM 496 O PRO A 34 12.908 -2.536 10.560 1.00 0.00 O ATOM 497 CB PRO A 34 10.255 -2.473 11.682 1.00 0.00 C ATOM 498 CG PRO A 34 10.733 -3.377 12.769 1.00 0.00 C ATOM 499 CD PRO A 34 10.556 -4.780 12.251 1.00 0.00 C ATOM 0 HA PRO A 34 9.877 -3.027 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.748 -1.502 11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.183 -2.290 11.761 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.777 -3.179 13.010 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.160 -3.224 13.684 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.328 -5.449 12.631 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.596 -5.200 12.550 1.00 0.00 H new ATOM 507 N GLN A 35 12.003 -2.645 8.494 1.00 0.00 N ATOM 508 CA GLN A 35 13.213 -2.225 7.785 1.00 0.00 C ATOM 509 C GLN A 35 13.699 -0.855 8.268 1.00 0.00 C ATOM 510 O GLN A 35 14.875 -0.687 8.603 1.00 0.00 O ATOM 511 CB GLN A 35 12.936 -2.210 6.272 1.00 0.00 C ATOM 512 CG GLN A 35 11.627 -1.515 5.897 1.00 0.00 C ATOM 513 CD GLN A 35 11.156 -1.849 4.493 1.00 0.00 C ATOM 514 OE1 GLN A 35 9.845 -1.893 4.309 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 11.958 -2.086 3.590 1.00 0.00 N flip ATOM 0 H GLN A 35 11.213 -2.845 7.880 1.00 0.00 H new ATOM 0 HA GLN A 35 14.009 -2.938 7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.761 -1.710 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.911 -3.236 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.854 -1.800 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.758 -0.436 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.960 -2.041 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.620 -2.327 2.658 1.00 0.00 H new ATOM 524 N GLU A 36 12.783 0.105 8.321 1.00 0.00 N ATOM 525 CA GLU A 36 13.093 1.458 8.774 1.00 0.00 C ATOM 526 C GLU A 36 11.805 2.128 9.248 1.00 0.00 C ATOM 527 O GLU A 36 10.714 1.578 9.067 1.00 0.00 O ATOM 528 CB GLU A 36 13.761 2.275 7.644 1.00 0.00 C ATOM 529 CG GLU A 36 15.057 2.979 8.056 1.00 0.00 C ATOM 530 CD GLU A 36 14.856 4.033 9.135 1.00 0.00 C ATOM 531 OE1 GLU A 36 14.831 3.670 10.333 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.710 5.228 8.791 1.00 0.00 O ATOM 0 H GLU A 36 11.808 -0.030 8.053 1.00 0.00 H new ATOM 0 HA GLU A 36 13.800 1.412 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.973 1.609 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.054 3.023 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.768 2.234 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.502 3.448 7.178 1.00 0.00 H new ATOM 539 N GLY A 37 11.930 3.297 9.860 1.00 0.00 N ATOM 540 CA GLY A 37 10.770 4.008 10.357 1.00 0.00 C ATOM 541 C GLY A 37 10.277 3.432 11.666 1.00 0.00 C ATOM 542 O GLY A 37 10.506 4.008 12.730 1.00 0.00 O ATOM 0 H GLY A 37 12.820 3.768 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.020 5.060 10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.971 3.963 9.616 1.00 0.00 H new ATOM 546 N GLY A 38 9.614 2.279 11.587 1.00 0.00 N ATOM 547 CA GLY A 38 9.081 1.625 12.771 1.00 0.00 C ATOM 548 C GLY A 38 7.896 2.371 13.355 1.00 0.00 C ATOM 549 O GLY A 38 6.750 1.937 13.218 1.00 0.00 O ATOM 0 H GLY A 38 9.436 1.782 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.779 0.609 12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.865 1.546 13.524 1.00 0.00 H new ATOM 553 N GLY A 39 8.176 3.498 14.000 1.00 0.00 N ATOM 554 CA GLY A 39 7.131 4.316 14.585 1.00 0.00 C ATOM 555 C GLY A 39 6.293 5.018 13.533 1.00 0.00 C ATOM 556 O GLY A 39 6.473 6.214 13.284 1.00 0.00 O ATOM 0 H GLY A 39 9.120 3.862 14.129 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.486 3.691 15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.580 5.059 15.244 1.00 0.00 H new ATOM 560 N ILE A 40 5.390 4.257 12.907 1.00 0.00 N ATOM 561 CA ILE A 40 4.470 4.769 11.886 1.00 0.00 C ATOM 562 C ILE A 40 5.224 5.198 10.621 1.00 0.00 C ATOM 563 O ILE A 40 6.340 5.725 10.688 1.00 0.00 O ATOM 564 CB ILE A 40 3.609 5.957 12.411 1.00 0.00 C ATOM 565 CG1 ILE A 40 2.929 5.590 13.745 1.00 0.00 C ATOM 566 CG2 ILE A 40 2.564 6.373 11.373 1.00 0.00 C ATOM 567 CD1 ILE A 40 2.029 4.373 13.668 1.00 0.00 C ATOM 0 H ILE A 40 5.276 3.261 13.096 1.00 0.00 H new ATOM 0 HA ILE A 40 3.798 3.947 11.639 1.00 0.00 H new ATOM 0 HB ILE A 40 4.273 6.804 12.585 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.699 5.412 14.496 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.341 6.442 14.087 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.975 7.204 11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.065 6.682 10.456 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.906 5.530 11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.590 4.183 14.647 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.235 4.553 12.943 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.614 3.507 13.358 1.00 0.00 H new ATOM 579 N SER A 41 4.622 4.952 9.463 1.00 0.00 N ATOM 580 CA SER A 41 5.219 5.332 8.189 1.00 0.00 C ATOM 581 C SER A 41 4.186 6.031 7.302 1.00 0.00 C ATOM 582 O SER A 41 3.045 5.577 7.174 1.00 0.00 O ATOM 583 CB SER A 41 5.788 4.096 7.483 1.00 0.00 C ATOM 584 OG SER A 41 6.670 3.383 8.338 1.00 0.00 O ATOM 0 H SER A 41 3.717 4.489 9.381 1.00 0.00 H new ATOM 0 HA SER A 41 6.035 6.030 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.973 3.444 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.318 4.400 6.580 1.00 0.00 H new ATOM 0 HG SER A 41 7.582 3.722 8.223 1.00 0.00 H new ATOM 590 N ARG A 42 4.601 7.144 6.711 1.00 0.00 N ATOM 591 CA ARG A 42 3.753 7.938 5.832 1.00 0.00 C ATOM 592 C ARG A 42 3.841 7.391 4.403 1.00 0.00 C ATOM 593 O ARG A 42 4.617 7.880 3.579 1.00 0.00 O ATOM 594 CB ARG A 42 4.201 9.409 5.902 1.00 0.00 C ATOM 595 CG ARG A 42 3.396 10.375 5.040 1.00 0.00 C ATOM 596 CD ARG A 42 3.932 11.798 5.164 1.00 0.00 C ATOM 597 NE ARG A 42 3.149 12.759 4.385 1.00 0.00 N ATOM 598 CZ ARG A 42 2.345 13.682 4.923 1.00 0.00 C ATOM 599 NH1 ARG A 42 2.166 13.731 6.240 1.00 0.00 N ATOM 600 NH2 ARG A 42 1.719 14.548 4.142 1.00 0.00 N ATOM 0 H ARG A 42 5.541 7.523 6.829 1.00 0.00 H new ATOM 0 HA ARG A 42 2.712 7.878 6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.145 9.740 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.248 9.468 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.436 10.057 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.349 10.350 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.927 12.095 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.969 11.823 4.830 1.00 0.00 H new ATOM 0 HE ARG A 42 3.221 12.722 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.643 13.062 6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.552 14.437 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.850 14.511 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.105 15.253 4.551 1.00 0.00 H new ATOM 614 N VAL A 43 3.049 6.358 4.124 1.00 0.00 N ATOM 615 CA VAL A 43 3.137 5.626 2.859 1.00 0.00 C ATOM 616 C VAL A 43 2.031 6.067 1.907 1.00 0.00 C ATOM 617 O VAL A 43 0.997 6.566 2.344 1.00 0.00 O ATOM 618 CB VAL A 43 3.037 4.094 3.096 1.00 0.00 C ATOM 619 CG1 VAL A 43 3.282 3.311 1.805 1.00 0.00 C ATOM 620 CG2 VAL A 43 4.006 3.653 4.191 1.00 0.00 C ATOM 0 H VAL A 43 2.334 6.006 4.761 1.00 0.00 H new ATOM 0 HA VAL A 43 4.106 5.850 2.412 1.00 0.00 H new ATOM 0 HB VAL A 43 2.022 3.875 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.205 2.243 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.538 3.594 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.279 3.537 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.920 2.577 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.026 3.898 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.765 4.169 5.120 1.00 0.00 H new ATOM 630 N GLY A 44 2.251 5.897 0.610 1.00 0.00 N ATOM 631 CA GLY A 44 1.237 6.247 -0.362 1.00 0.00 C ATOM 632 C GLY A 44 1.483 5.616 -1.716 1.00 0.00 C ATOM 633 O GLY A 44 2.439 4.858 -1.897 1.00 0.00 O ATOM 0 H GLY A 44 3.114 5.523 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.261 5.934 0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.203 7.331 -0.472 1.00 0.00 H new ATOM 637 N VAL A 45 0.610 5.926 -2.665 1.00 0.00 N ATOM 638 CA VAL A 45 0.720 5.418 -4.025 1.00 0.00 C ATOM 639 C VAL A 45 0.630 6.574 -5.015 1.00 0.00 C ATOM 640 O VAL A 45 -0.285 7.403 -4.937 1.00 0.00 O ATOM 641 CB VAL A 45 -0.390 4.380 -4.347 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.251 3.855 -5.779 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.364 3.225 -3.343 1.00 0.00 C ATOM 0 H VAL A 45 -0.193 6.536 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 45 1.685 4.919 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.353 4.883 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.040 3.130 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.335 4.685 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.721 3.376 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.150 2.511 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.605 2.727 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.528 3.613 -2.338 1.00 0.00 H new ATOM 653 N CYS A 46 1.593 6.643 -5.922 1.00 0.00 N ATOM 654 CA CYS A 46 1.598 7.646 -6.976 1.00 0.00 C ATOM 655 C CYS A 46 1.563 6.959 -8.340 1.00 0.00 C ATOM 656 O CYS A 46 2.373 6.070 -8.617 1.00 0.00 O ATOM 657 CB CYS A 46 2.840 8.539 -6.839 1.00 0.00 C ATOM 658 SG CYS A 46 4.402 7.633 -6.755 1.00 0.00 S ATOM 0 H CYS A 46 2.390 6.008 -5.948 1.00 0.00 H new ATOM 0 HA CYS A 46 0.713 8.277 -6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.876 9.224 -7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.738 9.148 -5.941 1.00 0.00 H new ATOM 0 HG CYS A 46 5.386 8.475 -6.643 1.00 0.00 H new ATOM 664 N LYS A 47 0.600 7.342 -9.177 1.00 0.00 N ATOM 665 CA LYS A 47 0.482 6.762 -10.508 1.00 0.00 C ATOM 666 C LYS A 47 1.451 7.457 -11.457 1.00 0.00 C ATOM 667 O LYS A 47 1.177 8.554 -11.950 1.00 0.00 O ATOM 668 CB LYS A 47 -0.956 6.871 -11.041 1.00 0.00 C ATOM 669 CG LYS A 47 -1.197 6.050 -12.309 1.00 0.00 C ATOM 670 CD LYS A 47 -2.593 6.265 -12.887 1.00 0.00 C ATOM 671 CE LYS A 47 -2.789 7.685 -13.413 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.125 7.863 -14.041 1.00 0.00 N ATOM 0 H LYS A 47 -0.104 8.047 -8.957 1.00 0.00 H new ATOM 0 HA LYS A 47 0.732 5.703 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.649 6.542 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.181 7.918 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.452 6.317 -13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.059 4.992 -12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.763 5.554 -13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.338 6.058 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.675 8.395 -12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.012 7.913 -14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.219 8.840 -14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.224 7.203 -14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.867 7.671 -13.338 1.00 0.00 H new ATOM 686 N VAL A 48 2.596 6.828 -11.676 1.00 0.00 N ATOM 687 CA VAL A 48 3.620 7.370 -12.558 1.00 0.00 C ATOM 688 C VAL A 48 3.351 6.947 -14.002 1.00 0.00 C ATOM 689 O VAL A 48 2.277 6.435 -14.312 1.00 0.00 O ATOM 690 CB VAL A 48 5.032 6.903 -12.122 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.368 7.425 -10.725 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.135 5.379 -12.171 1.00 0.00 C ATOM 0 H VAL A 48 2.841 5.934 -11.251 1.00 0.00 H new ATOM 0 HA VAL A 48 3.584 8.457 -12.492 1.00 0.00 H new ATOM 0 HB VAL A 48 5.759 7.316 -12.822 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.363 7.085 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.344 8.515 -10.728 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.637 7.048 -10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.134 5.072 -11.861 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.396 4.943 -11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.948 5.034 -13.188 1.00 0.00 H new ATOM 702 N MET A 49 4.319 7.175 -14.882 1.00 0.00 N ATOM 703 CA MET A 49 4.207 6.769 -16.281 1.00 0.00 C ATOM 704 C MET A 49 5.554 6.919 -16.975 1.00 0.00 C ATOM 705 O MET A 49 6.490 7.492 -16.410 1.00 0.00 O ATOM 706 CB MET A 49 3.138 7.601 -17.014 1.00 0.00 C ATOM 707 CG MET A 49 3.419 9.100 -17.034 1.00 0.00 C ATOM 708 SD MET A 49 2.129 10.038 -17.880 1.00 0.00 S ATOM 709 CE MET A 49 0.691 9.612 -16.896 1.00 0.00 C ATOM 0 H MET A 49 5.196 7.642 -14.651 1.00 0.00 H new ATOM 0 HA MET A 49 3.902 5.723 -16.311 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.057 7.244 -18.041 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.172 7.430 -16.539 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.514 9.462 -16.010 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.375 9.280 -17.525 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.076 10.375 -17.024 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.301 8.647 -17.220 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.974 9.554 -15.845 1.00 0.00 H new ATOM 828 N GLY A 58 2.141 3.792 -15.032 1.00 0.00 N ATOM 829 CA GLY A 58 2.673 2.805 -14.109 1.00 0.00 C ATOM 830 C GLY A 58 2.375 3.196 -12.676 1.00 0.00 C ATOM 831 O GLY A 58 1.669 4.177 -12.435 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.238 1.829 -14.323 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.750 2.712 -14.249 1.00 0.00 H new ATOM 835 N PHE A 59 2.917 2.457 -11.718 1.00 0.00 N ATOM 836 CA PHE A 59 2.647 2.728 -10.310 1.00 0.00 C ATOM 837 C PHE A 59 3.930 2.656 -9.498 1.00 0.00 C ATOM 838 O PHE A 59 4.851 1.909 -9.833 1.00 0.00 O ATOM 839 CB PHE A 59 1.601 1.746 -9.757 1.00 0.00 C ATOM 840 CG PHE A 59 0.237 1.907 -10.387 1.00 0.00 C ATOM 841 CD1 PHE A 59 -0.672 2.829 -9.883 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.131 1.148 -11.491 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.914 2.991 -10.467 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.373 1.306 -12.076 1.00 0.00 C ATOM 845 CZ PHE A 59 -2.265 2.228 -11.564 1.00 0.00 C ATOM 0 H PHE A 59 3.543 1.669 -11.887 1.00 0.00 H new ATOM 0 HA PHE A 59 2.243 3.737 -10.228 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.950 0.726 -9.918 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.515 1.887 -8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.405 3.427 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.562 0.426 -11.897 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.610 3.713 -10.066 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.646 0.709 -12.933 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.236 2.352 -12.021 1.00 0.00 H new ATOM 855 N LEU A 60 3.993 3.450 -8.443 1.00 0.00 N ATOM 856 CA LEU A 60 5.154 3.471 -7.567 1.00 0.00 C ATOM 857 C LEU A 60 4.686 3.419 -6.116 1.00 0.00 C ATOM 858 O LEU A 60 4.030 4.346 -5.634 1.00 0.00 O ATOM 859 CB LEU A 60 5.993 4.738 -7.833 1.00 0.00 C ATOM 860 CG LEU A 60 7.503 4.640 -7.522 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.214 5.933 -7.913 1.00 0.00 C ATOM 862 CD2 LEU A 60 7.760 4.314 -6.051 1.00 0.00 C ATOM 0 H LEU A 60 3.249 4.093 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 60 5.784 2.604 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.877 5.010 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.575 5.554 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 60 7.907 3.820 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.277 5.846 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.083 6.112 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.790 6.765 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.834 4.254 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.332 5.097 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.297 3.358 -5.804 1.00 0.00 H new ATOM 874 N ILE A 61 4.987 2.317 -5.438 1.00 0.00 N ATOM 875 CA ILE A 61 4.699 2.194 -4.018 1.00 0.00 C ATOM 876 C ILE A 61 5.787 2.924 -3.242 1.00 0.00 C ATOM 877 O ILE A 61 6.884 2.395 -3.047 1.00 0.00 O ATOM 878 CB ILE A 61 4.641 0.713 -3.562 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.698 -0.096 -4.466 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.197 0.621 -2.100 1.00 0.00 C ATOM 881 CD1 ILE A 61 3.663 -1.576 -4.140 1.00 0.00 C ATOM 0 H ILE A 61 5.431 1.497 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 61 3.720 2.632 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 61 5.641 0.288 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.690 0.310 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.006 0.031 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.161 -0.425 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.906 1.158 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.207 1.064 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.976 -2.082 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.662 -1.997 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.326 -1.714 -3.113 1.00 0.00 H new ATOM 893 N HIS A 62 5.496 4.150 -2.839 1.00 0.00 N ATOM 894 CA HIS A 62 6.490 5.004 -2.203 1.00 0.00 C ATOM 895 C HIS A 62 6.006 5.398 -0.813 1.00 0.00 C ATOM 896 O HIS A 62 4.813 5.637 -0.611 1.00 0.00 O ATOM 897 CB HIS A 62 6.734 6.249 -3.070 1.00 0.00 C ATOM 898 CG HIS A 62 8.006 6.978 -2.755 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.062 8.150 -2.040 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.285 6.693 -3.106 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.338 8.540 -1.982 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.124 7.690 -2.615 1.00 0.00 N ATOM 0 H HIS A 62 4.576 4.579 -2.941 1.00 0.00 H new ATOM 0 HA HIS A 62 7.432 4.464 -2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.750 5.951 -4.118 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.895 6.934 -2.946 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.267 8.637 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.602 5.831 -3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.681 9.434 -1.483 1.00 0.00 H new ATOM 910 N GLY A 63 6.920 5.443 0.146 1.00 0.00 N ATOM 911 CA GLY A 63 6.537 5.754 1.506 1.00 0.00 C ATOM 912 C GLY A 63 7.673 6.315 2.329 1.00 0.00 C ATOM 913 O GLY A 63 8.759 5.726 2.403 1.00 0.00 O ATOM 0 H GLY A 63 7.916 5.270 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.718 6.473 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.160 4.851 1.986 1.00 0.00 H new ATOM 917 N GLU A 64 7.424 7.467 2.938 1.00 0.00 N ATOM 918 CA GLU A 64 8.350 8.051 3.894 1.00 0.00 C ATOM 919 C GLU A 64 7.990 7.545 5.287 1.00 0.00 C ATOM 920 O GLU A 64 6.903 7.003 5.491 1.00 0.00 O ATOM 921 CB GLU A 64 8.282 9.593 3.872 1.00 0.00 C ATOM 922 CG GLU A 64 8.228 10.217 2.475 1.00 0.00 C ATOM 923 CD GLU A 64 6.812 10.289 1.912 1.00 0.00 C ATOM 924 OE1 GLU A 64 6.086 11.252 2.243 1.00 0.00 O ATOM 925 OE2 GLU A 64 6.415 9.389 1.146 1.00 0.00 O ATOM 0 H GLU A 64 6.580 8.018 2.783 1.00 0.00 H new ATOM 0 HA GLU A 64 9.365 7.757 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.401 9.911 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.152 9.988 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.649 11.221 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.854 9.635 1.798 1.00 0.00 H new ATOM 932 N ARG A 65 8.894 7.696 6.242 1.00 0.00 N ATOM 933 CA ARG A 65 8.573 7.387 7.634 1.00 0.00 C ATOM 934 C ARG A 65 7.830 8.568 8.251 1.00 0.00 C ATOM 935 O ARG A 65 7.843 9.668 7.693 1.00 0.00 O ATOM 936 CB ARG A 65 9.843 7.075 8.434 1.00 0.00 C ATOM 937 CG ARG A 65 10.814 8.242 8.541 1.00 0.00 C ATOM 938 CD ARG A 65 12.064 7.857 9.322 1.00 0.00 C ATOM 939 NE ARG A 65 11.755 7.431 10.690 1.00 0.00 N ATOM 940 CZ ARG A 65 12.633 6.837 11.500 1.00 0.00 C ATOM 941 NH1 ARG A 65 13.829 6.483 11.045 1.00 0.00 N ATOM 942 NH2 ARG A 65 12.295 6.553 12.750 1.00 0.00 N ATOM 0 H ARG A 65 9.846 8.026 6.086 1.00 0.00 H new ATOM 0 HA ARG A 65 7.938 6.502 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.559 6.760 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.355 6.232 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.096 8.575 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.322 9.083 9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.582 7.052 8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.746 8.707 9.354 1.00 0.00 H new ATOM 0 HE ARG A 65 10.813 7.599 11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.079 6.665 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.498 6.029 11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.364 6.789 13.093 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.966 6.099 13.369 1.00 0.00 H new ATOM 956 N GLN A 66 7.180 8.351 9.389 1.00 0.00 N ATOM 957 CA GLN A 66 6.455 9.425 10.058 1.00 0.00 C ATOM 958 C GLN A 66 7.445 10.320 10.802 1.00 0.00 C ATOM 959 O GLN A 66 7.495 10.337 12.038 1.00 0.00 O ATOM 960 CB GLN A 66 5.391 8.859 11.013 1.00 0.00 C ATOM 961 CG GLN A 66 4.439 9.913 11.573 1.00 0.00 C ATOM 962 CD GLN A 66 3.654 10.632 10.486 1.00 0.00 C ATOM 963 OE1 GLN A 66 3.355 10.066 9.433 1.00 0.00 O ATOM 964 NE2 GLN A 66 3.312 11.887 10.728 1.00 0.00 N ATOM 0 H GLN A 66 7.140 7.449 9.864 1.00 0.00 H new ATOM 0 HA GLN A 66 5.933 10.022 9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.810 8.102 10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.891 8.358 11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.743 9.437 12.264 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.009 10.643 12.147 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.575 12.326 11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.785 12.415 10.032 1.00 0.00 H new ATOM 973 N LYS A 67 8.254 11.035 10.028 1.00 0.00 N ATOM 974 CA LYS A 67 9.299 11.895 10.562 1.00 0.00 C ATOM 975 C LYS A 67 9.895 12.723 9.421 1.00 0.00 C ATOM 976 O LYS A 67 11.115 12.782 9.247 1.00 0.00 O ATOM 977 CB LYS A 67 10.387 11.046 11.255 1.00 0.00 C ATOM 978 CG LYS A 67 11.386 11.835 12.114 1.00 0.00 C ATOM 979 CD LYS A 67 10.802 12.271 13.465 1.00 0.00 C ATOM 980 CE LYS A 67 9.848 13.457 13.347 1.00 0.00 C ATOM 981 NZ LYS A 67 9.206 13.785 14.646 1.00 0.00 N ATOM 0 H LYS A 67 8.202 11.033 9.009 1.00 0.00 H new ATOM 0 HA LYS A 67 8.877 12.569 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.898 10.303 11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.941 10.501 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.271 11.222 12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.712 12.717 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.274 11.430 13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.617 12.533 14.140 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.394 14.327 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.078 13.231 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.566 14.596 14.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.663 12.964 14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.938 14.025 15.344 1.00 0.00 H new ATOM 995 N ASP A 68 9.006 13.349 8.647 1.00 0.00 N ATOM 996 CA ASP A 68 9.387 14.146 7.472 1.00 0.00 C ATOM 997 C ASP A 68 9.861 13.250 6.328 1.00 0.00 C ATOM 998 O ASP A 68 9.862 12.021 6.443 1.00 0.00 O ATOM 999 CB ASP A 68 10.460 15.202 7.815 1.00 0.00 C ATOM 1000 CG ASP A 68 9.897 16.389 8.583 1.00 0.00 C ATOM 1001 OD1 ASP A 68 9.809 16.321 9.828 1.00 0.00 O ATOM 1002 OD2 ASP A 68 9.531 17.402 7.941 1.00 0.00 O ATOM 0 H ASP A 68 8.000 13.320 8.815 1.00 0.00 H new ATOM 0 HA ASP A 68 8.494 14.678 7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.248 14.734 8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.921 15.557 6.893 1.00 0.00 H new ATOM 1007 N LYS A 69 10.249 13.878 5.220 1.00 0.00 N ATOM 1008 CA LYS A 69 10.635 13.155 4.010 1.00 0.00 C ATOM 1009 C LYS A 69 11.908 12.332 4.199 1.00 0.00 C ATOM 1010 O LYS A 69 13.024 12.836 4.054 1.00 0.00 O ATOM 1011 CB LYS A 69 10.794 14.123 2.822 1.00 0.00 C ATOM 1012 CG LYS A 69 9.508 14.355 2.030 1.00 0.00 C ATOM 1013 CD LYS A 69 8.351 14.814 2.915 1.00 0.00 C ATOM 1014 CE LYS A 69 7.065 14.976 2.118 1.00 0.00 C ATOM 1015 NZ LYS A 69 6.680 13.719 1.422 1.00 0.00 N ATOM 0 H LYS A 69 10.305 14.893 5.135 1.00 0.00 H new ATOM 0 HA LYS A 69 9.829 12.454 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.157 15.081 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.557 13.733 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.690 15.103 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.228 13.433 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.195 14.090 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.608 15.762 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.260 15.282 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.191 15.773 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.721 13.818 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.350 13.531 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.700 12.928 2.097 1.00 0.00 H new ATOM 1029 N LEU A 70 11.719 11.067 4.547 1.00 0.00 N ATOM 1030 CA LEU A 70 12.783 10.073 4.511 1.00 0.00 C ATOM 1031 C LEU A 70 12.232 8.793 3.898 1.00 0.00 C ATOM 1032 O LEU A 70 11.451 8.079 4.533 1.00 0.00 O ATOM 1033 CB LEU A 70 13.356 9.792 5.910 1.00 0.00 C ATOM 1034 CG LEU A 70 14.512 8.772 5.941 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.696 9.265 5.111 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.945 8.477 7.374 1.00 0.00 C ATOM 0 H LEU A 70 10.821 10.700 4.863 1.00 0.00 H new ATOM 0 HA LEU A 70 13.602 10.461 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.706 10.731 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.552 9.429 6.551 1.00 0.00 H new ATOM 0 HG LEU A 70 14.149 7.844 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.499 8.528 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.382 9.407 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.054 10.212 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.761 7.755 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.280 9.399 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.103 8.067 7.931 1.00 0.00 H new ATOM 1048 N VAL A 71 12.609 8.537 2.651 1.00 0.00 N ATOM 1049 CA VAL A 71 12.113 7.382 1.909 1.00 0.00 C ATOM 1050 C VAL A 71 12.535 6.082 2.590 1.00 0.00 C ATOM 1051 O VAL A 71 13.711 5.720 2.577 1.00 0.00 O ATOM 1052 CB VAL A 71 12.633 7.382 0.449 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.031 6.223 -0.347 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.345 8.722 -0.230 1.00 0.00 C ATOM 0 H VAL A 71 13.263 9.119 2.128 1.00 0.00 H new ATOM 0 HA VAL A 71 11.025 7.451 1.895 1.00 0.00 H new ATOM 0 HB VAL A 71 13.714 7.243 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.412 6.246 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.306 5.278 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.945 6.318 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.719 8.699 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.270 8.901 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.841 9.522 0.319 1.00 0.00 H new ATOM 1064 N VAL A 72 11.573 5.397 3.200 1.00 0.00 N ATOM 1065 CA VAL A 72 11.837 4.127 3.874 1.00 0.00 C ATOM 1066 C VAL A 72 11.257 2.961 3.078 1.00 0.00 C ATOM 1067 O VAL A 72 11.527 1.797 3.380 1.00 0.00 O ATOM 1068 CB VAL A 72 11.256 4.114 5.311 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.926 5.184 6.172 1.00 0.00 C ATOM 1070 CG2 VAL A 72 9.738 4.306 5.291 1.00 0.00 C ATOM 0 H VAL A 72 10.600 5.700 3.242 1.00 0.00 H new ATOM 0 HA VAL A 72 12.919 4.015 3.938 1.00 0.00 H new ATOM 0 HB VAL A 72 11.465 3.139 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.505 5.159 7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.998 4.992 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.754 6.166 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.356 4.293 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.498 5.262 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.277 3.500 4.721 1.00 0.00 H new ATOM 1080 N LEU A 73 10.462 3.282 2.062 1.00 0.00 N ATOM 1081 CA LEU A 73 9.849 2.271 1.206 1.00 0.00 C ATOM 1082 C LEU A 73 9.776 2.796 -0.228 1.00 0.00 C ATOM 1083 O LEU A 73 9.270 3.895 -0.468 1.00 0.00 O ATOM 1084 CB LEU A 73 8.444 1.912 1.741 1.00 0.00 C ATOM 1085 CG LEU A 73 7.801 0.613 1.198 1.00 0.00 C ATOM 1086 CD1 LEU A 73 7.374 0.752 -0.261 1.00 0.00 C ATOM 1087 CD2 LEU A 73 8.752 -0.570 1.369 1.00 0.00 C ATOM 0 H LEU A 73 10.226 4.242 1.810 1.00 0.00 H new ATOM 0 HA LEU A 73 10.454 1.365 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.504 1.833 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.773 2.742 1.518 1.00 0.00 H new ATOM 0 HG LEU A 73 6.900 0.428 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.928 -0.183 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.644 1.556 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.245 0.982 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.282 -1.474 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.675 -0.377 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.979 -0.704 2.427 1.00 0.00 H new ATOM 1099 N GLU A 74 10.298 2.013 -1.168 1.00 0.00 N ATOM 1100 CA GLU A 74 10.262 2.361 -2.585 1.00 0.00 C ATOM 1101 C GLU A 74 10.136 1.089 -3.418 1.00 0.00 C ATOM 1102 O GLU A 74 11.027 0.235 -3.403 1.00 0.00 O ATOM 1103 CB GLU A 74 11.527 3.155 -2.973 1.00 0.00 C ATOM 1104 CG GLU A 74 11.578 3.631 -4.432 1.00 0.00 C ATOM 1105 CD GLU A 74 12.101 2.573 -5.401 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.317 2.280 -5.366 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.310 2.031 -6.202 1.00 0.00 O ATOM 0 H GLU A 74 10.756 1.123 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 74 9.397 2.994 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.605 4.025 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.401 2.533 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.578 3.933 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.212 4.515 -4.495 1.00 0.00 H new ATOM 1114 N CYS A 75 9.017 0.953 -4.118 1.00 0.00 N ATOM 1115 CA CYS A 75 8.788 -0.184 -4.995 1.00 0.00 C ATOM 1116 C CYS A 75 8.153 0.285 -6.303 1.00 0.00 C ATOM 1117 O CYS A 75 6.926 0.324 -6.438 1.00 0.00 O ATOM 1118 CB CYS A 75 7.900 -1.227 -4.305 1.00 0.00 C ATOM 1119 SG CYS A 75 8.492 -1.728 -2.674 1.00 0.00 S ATOM 0 H CYS A 75 8.249 1.623 -4.093 1.00 0.00 H new ATOM 0 HA CYS A 75 9.746 -0.652 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.892 -0.824 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.830 -2.109 -4.942 1.00 0.00 H new ATOM 0 HG CYS A 75 8.945 -2.945 -2.732 1.00 0.00 H new ATOM 1125 N TYR A 76 9.001 0.699 -7.238 1.00 0.00 N ATOM 1126 CA TYR A 76 8.556 1.113 -8.563 1.00 0.00 C ATOM 1127 C TYR A 76 8.185 -0.102 -9.407 1.00 0.00 C ATOM 1128 O TYR A 76 8.913 -1.100 -9.429 1.00 0.00 O ATOM 1129 CB TYR A 76 9.658 1.927 -9.260 1.00 0.00 C ATOM 1130 CG TYR A 76 9.335 2.298 -10.698 1.00 0.00 C ATOM 1131 CD1 TYR A 76 8.495 3.368 -10.992 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.868 1.575 -11.762 1.00 0.00 C ATOM 1133 CE1 TYR A 76 8.201 3.705 -12.299 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.575 1.908 -13.071 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.741 2.973 -13.333 1.00 0.00 C ATOM 1136 OH TYR A 76 8.447 3.312 -14.637 1.00 0.00 O ATOM 0 H TYR A 76 10.010 0.757 -7.100 1.00 0.00 H new ATOM 0 HA TYR A 76 7.671 1.739 -8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.837 2.840 -8.691 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.585 1.354 -9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.066 3.944 -10.185 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.522 0.739 -11.561 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.549 4.540 -12.509 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.998 1.336 -13.884 1.00 0.00 H new ATOM 0 HH TYR A 76 8.908 2.698 -15.246 1.00 0.00 H new ATOM 1146 N VAL A 77 7.055 -0.014 -10.101 1.00 0.00 N ATOM 1147 CA VAL A 77 6.603 -1.073 -10.987 1.00 0.00 C ATOM 1148 C VAL A 77 6.149 -0.467 -12.307 1.00 0.00 C ATOM 1149 O VAL A 77 5.668 0.669 -12.347 1.00 0.00 O ATOM 1150 CB VAL A 77 5.451 -1.906 -10.369 1.00 0.00 C ATOM 1151 CG1 VAL A 77 5.882 -2.524 -9.039 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.191 -1.059 -10.198 1.00 0.00 C ATOM 0 H VAL A 77 6.431 0.792 -10.063 1.00 0.00 H new ATOM 0 HA VAL A 77 7.442 -1.750 -11.149 1.00 0.00 H new ATOM 0 HB VAL A 77 5.214 -2.717 -11.057 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.058 -3.104 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.739 -3.177 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.156 -1.732 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.399 -1.669 -9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.405 -0.217 -9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.869 -0.686 -11.170 1.00 0.00 H new ATOM 1162 N ARG A 78 6.301 -1.222 -13.383 1.00 0.00 N ATOM 1163 CA ARG A 78 6.017 -0.707 -14.719 1.00 0.00 C ATOM 1164 C ARG A 78 4.749 -1.334 -15.294 1.00 0.00 C ATOM 1165 O ARG A 78 3.994 -0.675 -16.007 1.00 0.00 O ATOM 1166 CB ARG A 78 7.212 -0.944 -15.667 1.00 0.00 C ATOM 1167 CG ARG A 78 7.838 -2.336 -15.550 1.00 0.00 C ATOM 1168 CD ARG A 78 8.819 -2.426 -14.379 1.00 0.00 C ATOM 1169 NE ARG A 78 8.941 -3.791 -13.864 1.00 0.00 N ATOM 1170 CZ ARG A 78 9.994 -4.257 -13.193 1.00 0.00 C ATOM 1171 NH1 ARG A 78 11.091 -3.519 -13.062 1.00 0.00 N ATOM 1172 NH2 ARG A 78 9.951 -5.472 -12.662 1.00 0.00 N ATOM 0 H ARG A 78 6.618 -2.191 -13.361 1.00 0.00 H new ATOM 0 HA ARG A 78 5.855 0.367 -14.631 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.882 -0.791 -16.695 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.977 -0.195 -15.463 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.050 -3.078 -15.421 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.357 -2.580 -16.477 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.799 -2.072 -14.700 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.488 -1.765 -13.578 1.00 0.00 H new ATOM 0 HE ARG A 78 8.165 -4.431 -14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.132 -2.588 -13.477 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.892 -3.883 -12.547 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.114 -6.046 -12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.755 -5.833 -12.148 1.00 0.00 H new ATOM 1186 N LYS A 79 4.517 -2.607 -14.978 1.00 0.00 N ATOM 1187 CA LYS A 79 3.361 -3.333 -15.511 1.00 0.00 C ATOM 1188 C LYS A 79 3.156 -4.627 -14.718 1.00 0.00 C ATOM 1189 O LYS A 79 2.525 -5.575 -15.186 1.00 0.00 O ATOM 1190 CB LYS A 79 3.597 -3.635 -17.006 1.00 0.00 C ATOM 1191 CG LYS A 79 2.369 -4.147 -17.756 1.00 0.00 C ATOM 1192 CD LYS A 79 2.683 -4.423 -19.227 1.00 0.00 C ATOM 1193 CE LYS A 79 1.461 -4.927 -19.989 1.00 0.00 C ATOM 1194 NZ LYS A 79 0.942 -6.205 -19.433 1.00 0.00 N ATOM 0 H LYS A 79 5.111 -3.157 -14.358 1.00 0.00 H new ATOM 0 HA LYS A 79 2.461 -2.726 -15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.952 -2.727 -17.494 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.393 -4.375 -17.092 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.007 -5.060 -17.283 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.567 -3.412 -17.686 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.052 -3.511 -19.696 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.482 -5.161 -19.295 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.676 -4.172 -19.954 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.721 -5.068 -21.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.237 -6.606 -20.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.727 -6.877 -19.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.498 -6.027 -18.509 1.00 0.00 H new ATOM 1208 N ASP A 80 3.662 -4.637 -13.492 1.00 0.00 N ATOM 1209 CA ASP A 80 3.736 -5.854 -12.689 1.00 0.00 C ATOM 1210 C ASP A 80 3.553 -5.549 -11.206 1.00 0.00 C ATOM 1211 O ASP A 80 4.258 -4.717 -10.645 1.00 0.00 O ATOM 1212 CB ASP A 80 5.091 -6.545 -12.927 1.00 0.00 C ATOM 1213 CG ASP A 80 6.279 -5.604 -12.727 1.00 0.00 C ATOM 1214 OD1 ASP A 80 6.330 -4.549 -13.410 1.00 0.00 O ATOM 1215 OD2 ASP A 80 7.169 -5.913 -11.904 1.00 0.00 O ATOM 0 H ASP A 80 4.031 -3.808 -13.027 1.00 0.00 H new ATOM 0 HA ASP A 80 2.928 -6.520 -12.994 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.186 -7.392 -12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.117 -6.945 -13.941 1.00 0.00 H new ATOM 1220 N LEU A 81 2.588 -6.222 -10.586 1.00 0.00 N ATOM 1221 CA LEU A 81 2.326 -6.092 -9.154 1.00 0.00 C ATOM 1222 C LEU A 81 1.522 -7.289 -8.660 1.00 0.00 C ATOM 1223 O LEU A 81 0.436 -7.567 -9.170 1.00 0.00 O ATOM 1224 CB LEU A 81 1.571 -4.783 -8.838 1.00 0.00 C ATOM 1225 CG LEU A 81 2.430 -3.650 -8.253 1.00 0.00 C ATOM 1226 CD1 LEU A 81 1.595 -2.387 -8.046 1.00 0.00 C ATOM 1227 CD2 LEU A 81 3.082 -4.094 -6.940 1.00 0.00 C ATOM 0 H LEU A 81 1.964 -6.874 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 81 3.285 -6.062 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.102 -4.424 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.768 -5.007 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 81 3.221 -3.417 -8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.224 -1.599 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.187 -2.060 -9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.778 -2.600 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.686 -3.280 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.307 -4.358 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.717 -4.961 -7.124 1.00 0.00 H new ATOM 1239 N VAL A 82 2.062 -8.000 -7.676 1.00 0.00 N ATOM 1240 CA VAL A 82 1.377 -9.142 -7.081 1.00 0.00 C ATOM 1241 C VAL A 82 1.252 -8.946 -5.574 1.00 0.00 C ATOM 1242 O VAL A 82 2.209 -9.172 -4.826 1.00 0.00 O ATOM 1243 CB VAL A 82 2.117 -10.478 -7.366 1.00 0.00 C ATOM 1244 CG1 VAL A 82 1.342 -11.665 -6.789 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.355 -10.660 -8.866 1.00 0.00 C ATOM 0 H VAL A 82 2.978 -7.804 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 82 0.388 -9.201 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 82 3.088 -10.437 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.880 -12.589 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.241 -11.544 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.352 -11.709 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.874 -11.602 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.398 -10.671 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.963 -9.836 -9.241 1.00 0.00 H new ATOM 1255 N TYR A 83 0.083 -8.488 -5.138 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.187 -8.313 -3.715 1.00 0.00 C ATOM 1257 C TYR A 83 -0.796 -9.581 -3.130 1.00 0.00 C ATOM 1258 O TYR A 83 -1.323 -10.429 -3.858 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.158 -7.156 -3.457 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.656 -5.782 -3.851 1.00 0.00 C ATOM 1261 CD1 TYR A 83 -0.731 -5.343 -5.168 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.144 -4.909 -2.897 1.00 0.00 C ATOM 1263 CE1 TYR A 83 -0.310 -4.077 -5.519 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.284 -3.644 -3.244 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.196 -3.232 -4.555 1.00 0.00 C ATOM 1266 OH TYR A 83 0.612 -1.968 -4.905 1.00 0.00 O ATOM 0 H TYR A 83 -0.692 -8.231 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 83 0.768 -8.091 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.083 -7.354 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.406 -7.142 -2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -1.125 -6.003 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.080 -5.227 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.377 -3.749 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.686 -2.981 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 83 0.941 -1.500 -4.109 1.00 0.00 H new ATOM 1276 N THR A 84 -0.733 -9.682 -1.813 1.00 0.00 N ATOM 1277 CA THR A 84 -1.351 -10.761 -1.066 1.00 0.00 C ATOM 1278 C THR A 84 -1.541 -10.307 0.379 1.00 0.00 C ATOM 1279 O THR A 84 -0.569 -10.014 1.075 1.00 0.00 O ATOM 1280 CB THR A 84 -0.490 -12.049 -1.096 1.00 0.00 C ATOM 1281 OG1 THR A 84 -0.235 -12.445 -2.452 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.180 -13.192 -0.352 1.00 0.00 C ATOM 0 H THR A 84 -0.244 -9.007 -1.226 1.00 0.00 H new ATOM 0 HA THR A 84 -2.310 -10.996 -1.527 1.00 0.00 H new ATOM 0 HB THR A 84 0.454 -11.830 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.837 -11.959 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.552 -14.082 -0.390 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.340 -12.905 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.140 -13.405 -0.822 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.787 -10.199 0.819 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.069 -9.806 2.190 1.00 0.00 C ATOM 1292 C LYS A 85 -3.125 -11.045 3.078 1.00 0.00 C ATOM 1293 O LYS A 85 -4.066 -11.837 2.998 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.375 -9.001 2.264 1.00 0.00 C ATOM 1295 CG LYS A 85 -4.707 -8.499 3.666 1.00 0.00 C ATOM 1296 CD LYS A 85 -5.774 -7.405 3.649 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.061 -7.864 2.975 1.00 0.00 C ATOM 1298 NZ LYS A 85 -8.085 -6.790 2.962 1.00 0.00 N ATOM 0 H LYS A 85 -3.614 -10.377 0.249 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.268 -9.161 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.304 -8.148 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.196 -9.623 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.054 -9.333 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.802 -8.114 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.992 -7.097 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.386 -6.530 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.846 -8.175 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.455 -8.736 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.910 -7.091 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.685 -5.924 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.378 -6.602 1.982 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.096 -11.214 3.906 1.00 0.00 N ATOM 1313 CA ALA A 86 -1.960 -12.407 4.737 1.00 0.00 C ATOM 1314 C ALA A 86 -2.955 -12.368 5.887 1.00 0.00 C ATOM 1315 O ALA A 86 -3.581 -13.374 6.223 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.535 -12.526 5.266 1.00 0.00 C ATOM 0 H ALA A 86 -1.342 -10.537 4.019 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.175 -13.283 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.450 -13.420 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.159 -12.596 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.295 -11.647 5.865 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.093 -11.188 6.474 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.017 -10.957 7.580 1.00 0.00 C ATOM 1324 C ASN A 87 -4.740 -9.638 7.343 1.00 0.00 C ATOM 1325 O ASN A 87 -4.204 -8.761 6.670 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.263 -10.920 8.924 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.731 -12.281 9.352 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.326 -13.318 9.059 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -1.609 -12.286 10.050 1.00 0.00 N ATOM 0 H ASN A 87 -2.566 -10.360 6.197 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.738 -11.773 7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.431 -10.220 8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.930 -10.539 9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.208 -13.170 10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.144 -11.406 10.274 1.00 0.00 H new ATOM 1336 N PRO A 88 -5.961 -9.471 7.881 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.748 -8.237 7.693 1.00 0.00 C ATOM 1338 C PRO A 88 -5.967 -6.975 8.070 1.00 0.00 C ATOM 1339 O PRO A 88 -6.264 -5.878 7.590 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.944 -8.435 8.635 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.081 -9.915 8.761 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.682 -10.464 8.701 1.00 0.00 C ATOM 0 HA PRO A 88 -7.027 -8.088 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.767 -7.969 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.849 -7.986 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.566 -10.184 9.699 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.695 -10.321 7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.244 -10.559 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.658 -11.454 8.246 1.00 0.00 H new ATOM 1350 N THR A 89 -4.962 -7.144 8.926 1.00 0.00 N ATOM 1351 CA THR A 89 -4.165 -6.029 9.423 1.00 0.00 C ATOM 1352 C THR A 89 -2.759 -6.022 8.808 1.00 0.00 C ATOM 1353 O THR A 89 -1.900 -5.237 9.218 1.00 0.00 O ATOM 1354 CB THR A 89 -4.059 -6.087 10.969 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.461 -4.884 11.481 1.00 0.00 O ATOM 1356 CG2 THR A 89 -3.244 -7.296 11.422 1.00 0.00 C ATOM 0 H THR A 89 -4.679 -8.053 9.292 1.00 0.00 H new ATOM 0 HA THR A 89 -4.670 -5.109 9.129 1.00 0.00 H new ATOM 0 HB THR A 89 -5.071 -6.181 11.364 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.744 -4.594 10.880 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.187 -7.309 12.510 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.724 -8.210 11.072 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.238 -7.233 11.007 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.526 -6.876 7.810 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.208 -6.977 7.184 1.00 0.00 C ATOM 1366 C PHE A 90 -1.332 -7.351 5.702 1.00 0.00 C ATOM 1367 O PHE A 90 -1.715 -8.477 5.359 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.334 -8.013 7.919 1.00 0.00 C ATOM 1369 CG PHE A 90 1.143 -7.896 7.600 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.621 -8.171 6.326 1.00 0.00 C ATOM 1371 CD2 PHE A 90 2.051 -7.491 8.573 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.963 -8.050 6.032 1.00 0.00 C ATOM 1373 CE2 PHE A 90 3.394 -7.367 8.278 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.849 -7.645 7.008 1.00 0.00 C ATOM 0 H PHE A 90 -3.229 -7.504 7.420 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.729 -6.000 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.475 -7.898 8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.675 -9.015 7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.933 -8.484 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.701 -7.271 9.571 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.320 -8.272 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.088 -7.052 9.043 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.899 -7.546 6.777 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.983 -6.404 4.839 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.992 -6.610 3.390 1.00 0.00 C ATOM 1386 C HIS A 91 0.454 -6.602 2.895 1.00 0.00 C ATOM 1387 O HIS A 91 1.237 -5.732 3.290 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.808 -5.492 2.712 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.296 -5.804 1.321 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.561 -5.482 0.869 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.666 -6.387 0.264 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.655 -5.865 -0.407 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.535 -6.420 -0.821 1.00 0.00 N ATOM 0 H HIS A 91 -0.685 -5.470 5.121 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.455 -7.565 3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.670 -5.263 3.339 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.195 -4.591 2.671 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.295 -5.031 1.415 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.654 -6.763 0.268 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.535 -5.736 -1.020 1.00 0.00 H new ATOM 1401 N HIS A 92 0.821 -7.571 2.059 1.00 0.00 N ATOM 1402 CA HIS A 92 2.198 -7.677 1.579 1.00 0.00 C ATOM 1403 C HIS A 92 2.244 -7.928 0.075 1.00 0.00 C ATOM 1404 O HIS A 92 1.238 -8.282 -0.536 1.00 0.00 O ATOM 1405 CB HIS A 92 2.954 -8.785 2.333 1.00 0.00 C ATOM 1406 CG HIS A 92 2.485 -10.180 2.041 1.00 0.00 C ATOM 1407 ND1 HIS A 92 1.660 -10.996 2.747 1.00 0.00 N flip ATOM 1408 CD2 HIS A 92 2.880 -10.903 0.939 1.00 0.00 C flip ATOM 1409 CE1 HIS A 92 1.549 -12.216 2.083 1.00 0.00 C flip ATOM 1410 NE2 HIS A 92 2.300 -12.105 1.004 1.00 0.00 N flip ATOM 0 H HIS A 92 0.190 -8.289 1.702 1.00 0.00 H new ATOM 0 HA HIS A 92 2.691 -6.725 1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.013 -8.714 2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.863 -8.603 3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.543 -10.559 0.158 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.969 -13.074 2.388 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.422 -12.842 0.309 1.00 0.00 H new ATOM 1418 N TRP A 93 3.424 -7.738 -0.509 1.00 0.00 N ATOM 1419 CA TRP A 93 3.632 -7.929 -1.940 1.00 0.00 C ATOM 1420 C TRP A 93 5.052 -8.427 -2.209 1.00 0.00 C ATOM 1421 O TRP A 93 6.000 -8.036 -1.524 1.00 0.00 O ATOM 1422 CB TRP A 93 3.363 -6.618 -2.705 1.00 0.00 C ATOM 1423 CG TRP A 93 4.184 -5.449 -2.229 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.399 -5.043 -2.710 1.00 0.00 C ATOM 1425 CD2 TRP A 93 3.844 -4.532 -1.179 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.835 -3.938 -2.020 1.00 0.00 N ATOM 1427 CE2 TRP A 93 4.899 -3.604 -1.076 1.00 0.00 C ATOM 1428 CE3 TRP A 93 2.752 -4.407 -0.315 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 4.892 -2.568 -0.145 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 2.745 -3.378 0.608 1.00 0.00 C ATOM 1431 CH2 TRP A 93 3.809 -2.469 0.686 1.00 0.00 C ATOM 0 H TRP A 93 4.261 -7.448 -0.004 1.00 0.00 H new ATOM 0 HA TRP A 93 2.929 -8.682 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.562 -6.781 -3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.306 -6.367 -2.614 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.937 -5.522 -3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.713 -3.446 -2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 93 1.928 -5.103 -0.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 5.712 -1.868 -0.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 1.906 -3.273 1.280 1.00 0.00 H new ATOM 0 HH2 TRP A 93 3.774 -1.674 1.417 1.00 0.00 H new ATOM 1442 N LYS A 94 5.194 -9.301 -3.200 1.00 0.00 N ATOM 1443 CA LYS A 94 6.496 -9.850 -3.569 1.00 0.00 C ATOM 1444 C LYS A 94 6.900 -9.358 -4.954 1.00 0.00 C ATOM 1445 O LYS A 94 6.179 -9.572 -5.931 1.00 0.00 O ATOM 1446 CB LYS A 94 6.464 -11.386 -3.532 1.00 0.00 C ATOM 1447 CG LYS A 94 7.728 -12.049 -4.081 1.00 0.00 C ATOM 1448 CD LYS A 94 7.686 -13.570 -3.917 1.00 0.00 C ATOM 1449 CE LYS A 94 8.791 -14.260 -4.708 1.00 0.00 C ATOM 1450 NZ LYS A 94 8.548 -14.196 -6.176 1.00 0.00 N ATOM 0 H LYS A 94 4.419 -9.647 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 94 7.236 -9.506 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.314 -11.711 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.605 -11.735 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.841 -11.800 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.601 -11.651 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.783 -13.824 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.717 -13.944 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.748 -13.792 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.863 -15.302 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.245 -14.789 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.590 -14.542 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.639 -13.212 -6.500 1.00 0.00 H new ATOM 1464 N VAL A 95 8.059 -8.713 -5.033 1.00 0.00 N ATOM 1465 CA VAL A 95 8.547 -8.139 -6.290 1.00 0.00 C ATOM 1466 C VAL A 95 9.751 -8.930 -6.790 1.00 0.00 C ATOM 1467 O VAL A 95 10.648 -8.388 -7.437 1.00 0.00 O ATOM 1468 CB VAL A 95 8.928 -6.644 -6.121 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.698 -5.813 -5.753 1.00 0.00 C ATOM 1470 CG2 VAL A 95 10.030 -6.475 -5.075 1.00 0.00 C ATOM 0 H VAL A 95 8.684 -8.572 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 95 7.742 -8.200 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 95 9.312 -6.282 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.986 -4.768 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.951 -5.900 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.279 -6.178 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.278 -5.418 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.683 -6.858 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.916 -7.028 -5.387 1.00 0.00 H new ATOM 1480 N ASP A 96 9.724 -10.234 -6.504 1.00 0.00 N ATOM 1481 CA ASP A 96 10.839 -11.149 -6.771 1.00 0.00 C ATOM 1482 C ASP A 96 11.979 -10.873 -5.796 1.00 0.00 C ATOM 1483 O ASP A 96 12.403 -11.762 -5.053 1.00 0.00 O ATOM 1484 CB ASP A 96 11.332 -11.054 -8.225 1.00 0.00 C ATOM 1485 CG ASP A 96 12.348 -12.134 -8.563 1.00 0.00 C ATOM 1486 OD1 ASP A 96 11.928 -13.285 -8.813 1.00 0.00 O ATOM 1487 OD2 ASP A 96 13.562 -11.845 -8.583 1.00 0.00 O ATOM 0 H ASP A 96 8.919 -10.690 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 96 10.477 -12.167 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.481 -11.135 -8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.779 -10.074 -8.391 1.00 0.00 H new ATOM 1492 N ASN A 97 12.460 -9.635 -5.796 1.00 0.00 N ATOM 1493 CA ASN A 97 13.435 -9.187 -4.810 1.00 0.00 C ATOM 1494 C ASN A 97 12.747 -8.993 -3.464 1.00 0.00 C ATOM 1495 O ASN A 97 12.117 -7.964 -3.219 1.00 0.00 O ATOM 1496 CB ASN A 97 14.112 -7.882 -5.265 1.00 0.00 C ATOM 1497 CG ASN A 97 15.090 -7.332 -4.234 1.00 0.00 C ATOM 1498 OD1 ASN A 97 14.721 -6.538 -3.366 1.00 0.00 O ATOM 1499 ND2 ASN A 97 16.347 -7.745 -4.321 1.00 0.00 N ATOM 0 H ASN A 97 12.189 -8.921 -6.472 1.00 0.00 H new ATOM 0 HA ASN A 97 14.210 -9.947 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.641 -8.060 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.347 -7.133 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.043 -7.405 -3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.618 -8.403 -5.052 1.00 0.00 H new ATOM 1506 N ARG A 98 12.850 -10.011 -2.611 1.00 0.00 N ATOM 1507 CA ARG A 98 12.198 -10.020 -1.304 1.00 0.00 C ATOM 1508 C ARG A 98 10.674 -9.914 -1.420 1.00 0.00 C ATOM 1509 O ARG A 98 10.101 -9.779 -2.515 1.00 0.00 O ATOM 1510 CB ARG A 98 12.730 -8.887 -0.402 1.00 0.00 C ATOM 1511 CG ARG A 98 14.029 -9.207 0.335 1.00 0.00 C ATOM 1512 CD ARG A 98 15.202 -9.446 -0.607 1.00 0.00 C ATOM 1513 NE ARG A 98 16.444 -9.643 0.140 1.00 0.00 N ATOM 1514 CZ ARG A 98 17.622 -9.935 -0.405 1.00 0.00 C ATOM 1515 NH1 ARG A 98 17.736 -10.123 -1.714 1.00 0.00 N ATOM 1516 NH2 ARG A 98 18.690 -10.051 0.372 1.00 0.00 N ATOM 0 H ARG A 98 13.389 -10.854 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 98 12.439 -10.980 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.886 -7.998 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.964 -8.638 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.271 -8.384 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.881 -10.092 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.003 -10.321 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.310 -8.596 -1.281 1.00 0.00 H new ATOM 0 HE ARG A 98 16.404 -9.549 1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.915 -10.044 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.645 -10.346 -2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.605 -9.917 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.597 -10.275 -0.038 1.00 0.00 H new ATOM 1530 N LYS A 99 10.032 -9.994 -0.265 1.00 0.00 N ATOM 1531 CA LYS A 99 8.595 -9.838 -0.147 1.00 0.00 C ATOM 1532 C LYS A 99 8.317 -8.764 0.898 1.00 0.00 C ATOM 1533 O LYS A 99 8.533 -8.981 2.092 1.00 0.00 O ATOM 1534 CB LYS A 99 7.955 -11.178 0.248 1.00 0.00 C ATOM 1535 CG LYS A 99 6.432 -11.153 0.325 1.00 0.00 C ATOM 1536 CD LYS A 99 5.857 -12.553 0.557 1.00 0.00 C ATOM 1537 CE LYS A 99 6.416 -13.203 1.822 1.00 0.00 C ATOM 1538 NZ LYS A 99 5.848 -14.558 2.052 1.00 0.00 N ATOM 0 H LYS A 99 10.500 -10.171 0.624 1.00 0.00 H new ATOM 0 HA LYS A 99 8.161 -9.534 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.257 -11.937 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.350 -11.483 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.119 -10.492 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.027 -10.741 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.771 -12.490 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.081 -13.184 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.501 -13.274 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.199 -12.569 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.254 -14.962 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.815 -14.489 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.077 -15.172 1.244 1.00 0.00 H new ATOM 1552 N PHE A 100 7.888 -7.594 0.437 1.00 0.00 N ATOM 1553 CA PHE A 100 7.670 -6.452 1.319 1.00 0.00 C ATOM 1554 C PHE A 100 6.239 -6.472 1.837 1.00 0.00 C ATOM 1555 O PHE A 100 5.433 -7.297 1.409 1.00 0.00 O ATOM 1556 CB PHE A 100 7.928 -5.130 0.575 1.00 0.00 C ATOM 1557 CG PHE A 100 9.179 -5.116 -0.275 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.336 -5.764 0.135 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.188 -4.443 -1.487 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.473 -5.740 -0.653 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.321 -4.415 -2.275 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.465 -5.065 -1.858 1.00 0.00 C ATOM 0 H PHE A 100 7.684 -7.411 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 100 8.366 -6.523 2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.070 -4.914 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.993 -4.324 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.349 -6.292 1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.296 -3.933 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.367 -6.249 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.312 -3.885 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.353 -5.046 -2.473 1.00 0.00 H new ATOM 1572 N GLY A 101 5.924 -5.566 2.751 1.00 0.00 N ATOM 1573 CA GLY A 101 4.575 -5.473 3.270 1.00 0.00 C ATOM 1574 C GLY A 101 4.426 -4.340 4.255 1.00 0.00 C ATOM 1575 O GLY A 101 5.360 -3.566 4.465 1.00 0.00 O ATOM 0 H GLY A 101 6.581 -4.892 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.878 -5.330 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.307 -6.412 3.754 1.00 0.00 H new ATOM 1579 N LEU A 102 3.251 -4.230 4.857 1.00 0.00 N ATOM 1580 CA LEU A 102 3.005 -3.219 5.873 1.00 0.00 C ATOM 1581 C LEU A 102 1.937 -3.684 6.855 1.00 0.00 C ATOM 1582 O LEU A 102 1.059 -4.483 6.512 1.00 0.00 O ATOM 1583 CB LEU A 102 2.634 -1.865 5.226 1.00 0.00 C ATOM 1584 CG LEU A 102 1.646 -1.910 4.038 1.00 0.00 C ATOM 1585 CD1 LEU A 102 0.242 -2.316 4.481 1.00 0.00 C ATOM 1586 CD2 LEU A 102 1.611 -0.560 3.322 1.00 0.00 C ATOM 0 H LEU A 102 2.451 -4.831 4.658 1.00 0.00 H new ATOM 0 HA LEU A 102 3.926 -3.070 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.208 -1.224 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.553 -1.387 4.886 1.00 0.00 H new ATOM 0 HG LEU A 102 2.003 -2.671 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.421 -2.335 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.276 -3.307 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.132 -1.596 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.911 -0.608 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.291 0.214 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.606 -0.321 2.947 1.00 0.00 H new ATOM 1598 N THR A 103 2.044 -3.206 8.087 1.00 0.00 N ATOM 1599 CA THR A 103 1.068 -3.503 9.122 1.00 0.00 C ATOM 1600 C THR A 103 0.119 -2.321 9.292 1.00 0.00 C ATOM 1601 O THR A 103 0.551 -1.223 9.655 1.00 0.00 O ATOM 1602 CB THR A 103 1.764 -3.804 10.469 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.781 -4.799 10.276 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.763 -4.295 11.510 1.00 0.00 C ATOM 0 H THR A 103 2.807 -2.604 8.395 1.00 0.00 H new ATOM 0 HA THR A 103 0.506 -4.386 8.817 1.00 0.00 H new ATOM 0 HB THR A 103 2.213 -2.880 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.436 -5.512 9.699 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.282 -4.498 12.447 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.004 -3.530 11.674 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.286 -5.208 11.154 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.161 -2.544 8.998 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.181 -1.509 9.146 1.00 0.00 C ATOM 1614 C PHE A 104 -2.320 -1.105 10.608 1.00 0.00 C ATOM 1615 O PHE A 104 -2.140 -1.933 11.509 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.532 -2.004 8.614 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.523 -2.338 7.143 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.134 -1.391 6.208 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.919 -3.591 6.695 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.139 -1.688 4.860 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.924 -3.892 5.348 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.534 -2.939 4.429 1.00 0.00 C ATOM 0 H PHE A 104 -1.517 -3.436 8.655 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.871 -0.640 8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.831 -2.889 9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.287 -1.239 8.799 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.824 -0.411 6.538 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.227 -4.340 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.834 -0.941 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.233 -4.872 5.014 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.538 -3.171 3.374 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.640 0.161 10.844 1.00 0.00 N ATOM 1633 CA GLN A 105 -2.765 0.678 12.205 1.00 0.00 C ATOM 1634 C GLN A 105 -4.209 1.081 12.507 1.00 0.00 C ATOM 1635 O GLN A 105 -4.557 1.355 13.658 1.00 0.00 O ATOM 1636 CB GLN A 105 -1.799 1.854 12.418 1.00 0.00 C ATOM 1637 CG GLN A 105 -1.993 3.011 11.444 1.00 0.00 C ATOM 1638 CD GLN A 105 -0.920 4.076 11.587 1.00 0.00 C ATOM 1639 OE1 GLN A 105 0.113 4.034 10.920 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -1.148 5.033 12.472 1.00 0.00 N ATOM 0 H GLN A 105 -2.818 0.850 10.113 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.495 -0.114 12.904 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.918 2.227 13.435 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.776 1.489 12.330 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.987 2.628 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.972 3.461 11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.016 5.036 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.456 5.768 12.619 1.00 0.00 H new ATOM 1649 N SER A 106 -5.045 1.119 11.473 1.00 0.00 N ATOM 1650 CA SER A 106 -6.474 1.376 11.635 1.00 0.00 C ATOM 1651 C SER A 106 -7.253 0.774 10.462 1.00 0.00 C ATOM 1652 O SER A 106 -6.720 0.655 9.358 1.00 0.00 O ATOM 1653 CB SER A 106 -6.745 2.888 11.722 1.00 0.00 C ATOM 1654 OG SER A 106 -5.975 3.504 12.744 1.00 0.00 O ATOM 0 H SER A 106 -4.755 0.974 10.506 1.00 0.00 H new ATOM 0 HA SER A 106 -6.806 0.908 12.562 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.516 3.354 10.764 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.805 3.057 11.914 1.00 0.00 H new ATOM 0 HG SER A 106 -5.513 2.815 13.266 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.526 0.387 10.675 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.382 -0.129 9.597 1.00 0.00 C ATOM 1662 C PRO A 107 -9.569 0.903 8.481 1.00 0.00 C ATOM 1663 O PRO A 107 -9.939 0.560 7.355 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.718 -0.440 10.299 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.677 0.334 11.575 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.228 0.401 11.973 1.00 0.00 C ATOM 0 HA PRO A 107 -8.950 -1.003 9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.566 -0.140 9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.824 -1.508 10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.091 1.333 11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.271 -0.155 12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.007 1.304 12.542 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.941 -0.446 12.596 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.304 2.169 8.806 1.00 0.00 N ATOM 1675 CA ALA A 108 -9.383 3.253 7.833 1.00 0.00 C ATOM 1676 C ALA A 108 -8.310 3.087 6.758 1.00 0.00 C ATOM 1677 O ALA A 108 -8.621 2.940 5.574 1.00 0.00 O ATOM 1678 CB ALA A 108 -9.247 4.604 8.531 1.00 0.00 C ATOM 0 H ALA A 108 -9.031 2.467 9.742 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.358 3.215 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.308 5.403 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.051 4.720 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.285 4.655 9.042 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.044 3.093 7.180 1.00 0.00 N ATOM 1685 CA ASP A 109 -5.920 2.922 6.255 1.00 0.00 C ATOM 1686 C ASP A 109 -5.940 1.533 5.631 1.00 0.00 C ATOM 1687 O ASP A 109 -5.534 1.361 4.481 1.00 0.00 O ATOM 1688 CB ASP A 109 -4.572 3.182 6.954 1.00 0.00 C ATOM 1689 CG ASP A 109 -4.468 2.531 8.326 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.874 3.181 9.310 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -3.986 1.383 8.432 1.00 0.00 O ATOM 0 H ASP A 109 -6.771 3.214 8.155 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.032 3.660 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.766 2.811 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.426 4.257 7.058 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.425 0.553 6.386 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.581 -0.806 5.879 1.00 0.00 C ATOM 1698 C ALA A 110 -7.478 -0.822 4.641 1.00 0.00 C ATOM 1699 O ALA A 110 -7.041 -1.178 3.545 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.149 -1.716 6.962 1.00 0.00 C ATOM 0 H ALA A 110 -6.718 0.675 7.355 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.598 -1.180 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.259 -2.726 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.472 -1.732 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.123 -1.342 7.278 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.723 -0.394 4.824 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.712 -0.401 3.749 1.00 0.00 C ATOM 1708 C ARG A 111 -9.264 0.521 2.611 1.00 0.00 C ATOM 1709 O ARG A 111 -9.445 0.204 1.431 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.085 0.025 4.311 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.285 -0.285 3.409 1.00 0.00 C ATOM 1712 CD ARG A 111 -12.422 0.694 2.247 1.00 0.00 C ATOM 1713 NE ARG A 111 -12.611 2.073 2.711 1.00 0.00 N ATOM 1714 CZ ARG A 111 -12.271 3.157 2.009 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -11.685 3.028 0.826 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -12.508 4.366 2.496 1.00 0.00 N ATOM 0 H ARG A 111 -9.074 -0.036 5.712 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.803 -1.408 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.236 -0.469 5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.064 1.098 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.186 -1.297 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -13.197 -0.263 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -11.531 0.641 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.267 0.402 1.624 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.030 2.213 3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.493 2.099 0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.426 3.858 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -12.951 4.470 3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -12.247 5.193 1.958 1.00 0.00 H new ATOM 1730 N ALA A 112 -8.666 1.653 2.975 1.00 0.00 N ATOM 1731 CA ALA A 112 -8.190 2.624 1.994 1.00 0.00 C ATOM 1732 C ALA A 112 -7.086 2.028 1.121 1.00 0.00 C ATOM 1733 O ALA A 112 -7.083 2.204 -0.101 1.00 0.00 O ATOM 1734 CB ALA A 112 -7.694 3.883 2.695 1.00 0.00 C ATOM 0 H ALA A 112 -8.499 1.921 3.945 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.025 2.889 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.342 4.599 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.509 4.326 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.876 3.626 3.368 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.157 1.314 1.753 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.037 0.711 1.042 1.00 0.00 C ATOM 1742 C PHE A 113 -5.537 -0.389 0.116 1.00 0.00 C ATOM 1743 O PHE A 113 -5.169 -0.434 -1.057 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.003 0.155 2.031 1.00 0.00 C ATOM 1745 CG PHE A 113 -2.748 -0.379 1.377 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -1.797 0.491 0.859 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.517 -1.746 1.285 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -0.647 0.008 0.261 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.367 -2.231 0.689 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.431 -1.353 0.178 1.00 0.00 C ATOM 0 H PHE A 113 -6.160 1.140 2.758 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.552 1.480 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.727 0.942 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.465 -0.643 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.957 1.557 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.244 -2.438 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.082 0.696 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.201 -3.296 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.468 -1.731 -0.286 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.398 -1.262 0.644 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.984 -2.341 -0.152 1.00 0.00 C ATOM 1762 C ASP A 114 -7.724 -1.773 -1.362 1.00 0.00 C ATOM 1763 O ASP A 114 -7.664 -2.331 -2.460 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.951 -3.197 0.686 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.255 -4.042 1.748 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.321 -4.794 1.403 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -7.682 -4.006 2.924 1.00 0.00 O ATOM 0 H ASP A 114 -6.704 -1.242 1.617 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.166 -2.976 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.675 -2.542 1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.511 -3.854 0.021 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.419 -0.656 -1.153 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.147 0.018 -2.228 1.00 0.00 C ATOM 1774 C ARG A 115 -8.175 0.480 -3.311 1.00 0.00 C ATOM 1775 O ARG A 115 -8.378 0.220 -4.503 1.00 0.00 O ATOM 1776 CB ARG A 115 -9.925 1.222 -1.675 1.00 0.00 C ATOM 1777 CG ARG A 115 -10.816 1.930 -2.700 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.122 1.176 -2.955 1.00 0.00 C ATOM 1779 NE ARG A 115 -11.914 -0.129 -3.592 1.00 0.00 N ATOM 1780 CZ ARG A 115 -12.290 -1.298 -3.057 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -12.849 -1.341 -1.852 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -12.115 -2.421 -3.738 1.00 0.00 N ATOM 0 H ARG A 115 -8.494 -0.197 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.855 -0.687 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.545 0.886 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.214 1.943 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.043 2.936 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.272 2.037 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.644 1.033 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.769 1.784 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.453 -0.147 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.995 -0.479 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.132 -2.236 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.695 -2.394 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.400 -3.313 -3.333 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.115 1.163 -2.880 1.00 0.00 N ATOM 1797 CA GLY A 116 -6.107 1.655 -3.803 1.00 0.00 C ATOM 1798 C GLY A 116 -5.428 0.529 -4.558 1.00 0.00 C ATOM 1799 O GLY A 116 -5.209 0.626 -5.764 1.00 0.00 O ATOM 0 H GLY A 116 -6.937 1.385 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.570 2.340 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.359 2.225 -3.252 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.112 -0.543 -3.839 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.496 -1.728 -4.426 1.00 0.00 C ATOM 1805 C VAL A 117 -5.407 -2.341 -5.484 1.00 0.00 C ATOM 1806 O VAL A 117 -4.967 -2.663 -6.589 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.180 -2.793 -3.342 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -3.773 -4.124 -3.975 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.088 -2.289 -2.400 1.00 0.00 C ATOM 0 H VAL A 117 -5.275 -0.615 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.562 -1.412 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.088 -2.963 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.558 -4.849 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.587 -4.494 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.884 -3.978 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.879 -3.048 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.182 -2.084 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.423 -1.374 -1.911 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.682 -2.481 -5.137 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.662 -3.098 -6.020 1.00 0.00 C ATOM 1821 C ARG A 118 -7.762 -2.313 -7.330 1.00 0.00 C ATOM 1822 O ARG A 118 -7.673 -2.885 -8.418 1.00 0.00 O ATOM 1823 CB ARG A 118 -9.031 -3.170 -5.325 1.00 0.00 C ATOM 1824 CG ARG A 118 -10.017 -4.125 -5.992 1.00 0.00 C ATOM 1825 CD ARG A 118 -9.528 -5.569 -5.939 1.00 0.00 C ATOM 1826 NE ARG A 118 -10.498 -6.503 -6.516 1.00 0.00 N ATOM 1827 CZ ARG A 118 -10.284 -7.811 -6.662 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -9.135 -8.346 -6.271 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -11.224 -8.580 -7.195 1.00 0.00 N ATOM 0 H ARG A 118 -7.062 -2.172 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.339 -4.113 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.886 -3.479 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.468 -2.172 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.986 -4.051 -5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.165 -3.829 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.583 -5.651 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.331 -5.846 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 118 -11.395 -6.129 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.413 -7.757 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.974 -9.347 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -12.110 -8.171 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.061 -9.581 -7.307 1.00 0.00 H new ATOM 1843 N LYS A 119 -7.921 -0.993 -7.211 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.003 -0.116 -8.378 1.00 0.00 C ATOM 1845 C LYS A 119 -6.693 -0.127 -9.162 1.00 0.00 C ATOM 1846 O LYS A 119 -6.700 -0.151 -10.393 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.344 1.322 -7.960 1.00 0.00 C ATOM 1848 CG LYS A 119 -9.752 1.495 -7.396 1.00 0.00 C ATOM 1849 CD LYS A 119 -10.847 1.143 -8.411 1.00 0.00 C ATOM 1850 CE LYS A 119 -10.871 2.081 -9.622 1.00 0.00 C ATOM 1851 NZ LYS A 119 -9.775 1.802 -10.594 1.00 0.00 N ATOM 0 H LYS A 119 -7.995 -0.509 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.799 -0.495 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.623 1.651 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.228 1.976 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.865 0.865 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.883 2.527 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.699 0.119 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.817 1.175 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.832 1.988 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.791 3.112 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.010 2.494 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.406 0.843 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.144 1.875 -11.564 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.575 -0.110 -8.437 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.252 -0.109 -9.056 1.00 0.00 C ATOM 1867 C ALA A 120 -4.079 -1.332 -9.951 1.00 0.00 C ATOM 1868 O ALA A 120 -3.799 -1.202 -11.140 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.158 -0.066 -7.991 1.00 0.00 C ATOM 0 H ALA A 120 -5.561 -0.097 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.164 0.785 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.181 -0.066 -8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.268 0.839 -7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.244 -0.940 -7.346 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.271 -2.515 -9.370 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.166 -3.768 -10.114 1.00 0.00 C ATOM 1877 C ILE A 121 -5.151 -3.777 -11.278 1.00 0.00 C ATOM 1878 O ILE A 121 -4.811 -4.179 -12.390 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.434 -4.995 -9.201 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.379 -5.076 -8.085 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.457 -6.292 -10.015 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -1.962 -5.251 -8.592 1.00 0.00 C ATOM 0 H ILE A 121 -4.501 -2.632 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.148 -3.838 -10.496 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.415 -4.868 -8.743 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.430 -4.168 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.624 -5.909 -7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.647 -7.135 -9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.246 -6.237 -10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.495 -6.429 -10.509 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.276 -5.300 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.893 -6.174 -9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.696 -4.406 -9.227 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.364 -3.307 -11.006 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.430 -3.258 -12.004 1.00 0.00 C ATOM 1896 C GLU A 122 -6.977 -2.532 -13.272 1.00 0.00 C ATOM 1897 O GLU A 122 -6.971 -3.110 -14.358 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.660 -2.567 -11.403 1.00 0.00 C ATOM 1899 CG GLU A 122 -9.824 -2.398 -12.371 1.00 0.00 C ATOM 1900 CD GLU A 122 -11.012 -1.714 -11.720 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -10.994 -0.471 -11.594 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -11.964 -2.414 -11.315 1.00 0.00 O ATOM 0 H GLU A 122 -6.637 -2.950 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.686 -4.279 -12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.000 -3.142 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.365 -1.585 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.497 -1.815 -13.232 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.129 -3.375 -12.745 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.576 -1.273 -13.123 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.182 -0.450 -14.267 1.00 0.00 C ATOM 1911 C ASP A 123 -4.812 -0.864 -14.802 1.00 0.00 C ATOM 1912 O ASP A 123 -4.503 -0.644 -15.976 1.00 0.00 O ATOM 1913 CB ASP A 123 -6.184 1.041 -13.892 1.00 0.00 C ATOM 1914 CG ASP A 123 -7.588 1.587 -13.666 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -8.413 1.517 -14.603 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -7.875 2.098 -12.560 1.00 0.00 O ATOM 0 H ASP A 123 -6.515 -0.798 -12.222 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.915 -0.610 -15.058 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.592 1.185 -12.988 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.700 1.612 -14.684 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.999 -1.468 -13.940 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.672 -1.944 -14.331 1.00 0.00 C ATOM 1923 C LEU A 124 -2.793 -3.129 -15.289 1.00 0.00 C ATOM 1924 O LEU A 124 -2.022 -3.248 -16.245 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.856 -2.325 -13.075 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.394 -2.784 -13.303 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.447 -2.535 -12.052 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.329 -4.267 -13.679 1.00 0.00 C ATOM 0 H LEU A 124 -4.235 -1.641 -12.963 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.146 -1.144 -14.852 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.841 -1.465 -12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.385 -3.124 -12.556 1.00 0.00 H new ATOM 0 HG LEU A 124 0.009 -2.199 -14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.471 -2.863 -12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.443 -1.471 -11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.028 -3.093 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.710 -4.558 -13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.759 -4.865 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.892 -4.435 -14.597 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.762 -4.006 -15.034 1.00 0.00 N ATOM 1941 CA ILE A 125 -3.926 -5.216 -15.835 1.00 0.00 C ATOM 1942 C ILE A 125 -4.881 -4.982 -17.009 1.00 0.00 C ATOM 1943 O ILE A 125 -4.657 -5.493 -18.108 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.425 -6.413 -14.976 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.352 -7.723 -15.778 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -5.847 -6.174 -14.464 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -4.772 -8.951 -14.991 1.00 0.00 C ATOM 0 H ILE A 125 -4.443 -3.902 -14.282 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.942 -5.467 -16.230 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.768 -6.499 -14.111 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.987 -7.634 -16.659 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.331 -7.863 -16.134 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.167 -7.028 -13.867 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.866 -5.274 -13.849 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.522 -6.049 -15.310 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.693 -9.834 -15.625 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.122 -9.068 -14.124 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.803 -8.834 -14.658 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.935 -4.199 -16.781 1.00 0.00 N ATOM 1960 CA GLU A 126 -6.948 -3.954 -17.803 1.00 0.00 C ATOM 1961 C GLU A 126 -7.760 -2.698 -17.455 1.00 0.00 C ATOM 1962 O GLU A 126 -7.352 -1.592 -17.870 1.00 0.00 O ATOM 1963 CB GLU A 126 -7.863 -5.188 -17.940 1.00 0.00 C ATOM 1964 CG GLU A 126 -8.876 -5.104 -19.080 1.00 0.00 C ATOM 1965 CD GLU A 126 -8.223 -4.981 -20.449 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -7.809 -6.019 -21.010 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -8.128 -3.849 -20.976 1.00 0.00 O ATOM 1968 OXT GLU A 126 -8.793 -2.819 -16.761 1.00 0.00 O ATOM 0 H GLU A 126 -6.108 -3.723 -15.895 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.458 -3.782 -18.762 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.241 -6.071 -18.088 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.401 -5.331 -17.003 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.508 -5.992 -19.063 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.528 -4.246 -18.916 1.00 0.00 H new