USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=23 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= -0.0211 (180deg=-0.752) USER MOD Set 1.2: A 103 THR OG1 : rot -166:sc= -0.0831 USER MOD Set 2.1: A 14 TYR OH : rot 163:sc= 0.511 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.941 K(o=-0.43,f=-7!) USER MOD Single : A 13 SER OG : rot 34:sc= 0.188 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00585 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -5.91! C(o=-5.9!,f=-9.6!) USER MOD Single : A 41 SER OG : rot 68:sc= -0.805 USER MOD Single : A 46 CYS SG : rot -11:sc= -2.61! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -164:sc= -0.0632 (180deg=-0.43) USER MOD Single : A 66 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5.7!) USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0729) USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 1.29 (180deg=1) USER MOD Single : A 75 CYS SG : rot -168:sc= 1.24 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0259) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -137:sc= 0.624 (180deg=-2.32!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 89 THR OG1 : rot -41:sc= 0.65 USER MOD Single : A 91 HIS : no HE2:sc= -6.03! C(o=-6!,f=-10!) USER MOD Single : A 92 HIS : no HE2:sc= -0.164 K(o=-0.16,f=-0.91) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 170:sc=-0.000174 (180deg=-0.0992) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 3.440 14.005 -8.063 1.00 0.00 N ATOM 164 CA SER A 13 2.711 12.984 -8.815 1.00 0.00 C ATOM 165 C SER A 13 2.155 11.883 -7.902 1.00 0.00 C ATOM 166 O SER A 13 1.662 10.856 -8.384 1.00 0.00 O ATOM 167 CB SER A 13 3.637 12.389 -9.879 1.00 0.00 C ATOM 168 OG SER A 13 4.198 13.419 -10.682 1.00 0.00 O ATOM 0 HA SER A 13 1.853 13.456 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.433 11.819 -9.400 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.080 11.693 -10.506 1.00 0.00 H new ATOM 0 HG SER A 13 4.344 14.218 -10.134 1.00 0.00 H new ATOM 174 N TYR A 14 2.227 12.095 -6.589 1.00 0.00 N ATOM 175 CA TYR A 14 1.644 11.155 -5.633 1.00 0.00 C ATOM 176 C TYR A 14 0.120 11.177 -5.717 1.00 0.00 C ATOM 177 O TYR A 14 -0.500 12.236 -5.601 1.00 0.00 O ATOM 178 CB TYR A 14 2.098 11.469 -4.199 1.00 0.00 C ATOM 179 CG TYR A 14 3.495 10.973 -3.877 1.00 0.00 C ATOM 180 CD1 TYR A 14 4.617 11.698 -4.248 1.00 0.00 C ATOM 181 CD2 TYR A 14 3.689 9.772 -3.204 1.00 0.00 C ATOM 182 CE1 TYR A 14 5.890 11.244 -3.958 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.959 9.313 -2.912 1.00 0.00 C ATOM 184 CZ TYR A 14 6.054 10.053 -3.291 1.00 0.00 C ATOM 185 OH TYR A 14 7.320 9.603 -3.002 1.00 0.00 O ATOM 0 H TYR A 14 2.680 12.904 -6.165 1.00 0.00 H new ATOM 0 HA TYR A 14 1.996 10.157 -5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.061 12.547 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.393 11.021 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.494 12.634 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.832 9.188 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.752 11.823 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.091 8.378 -2.389 1.00 0.00 H new ATOM 0 HH TYR A 14 7.271 8.913 -2.308 1.00 0.00 H new ATOM 195 N ILE A 15 -0.471 10.005 -5.931 1.00 0.00 N ATOM 196 CA ILE A 15 -1.922 9.864 -5.974 1.00 0.00 C ATOM 197 C ILE A 15 -2.499 10.124 -4.588 1.00 0.00 C ATOM 198 O ILE A 15 -3.458 10.884 -4.428 1.00 0.00 O ATOM 199 CB ILE A 15 -2.343 8.446 -6.444 1.00 0.00 C ATOM 200 CG1 ILE A 15 -1.715 8.123 -7.810 1.00 0.00 C ATOM 201 CG2 ILE A 15 -3.867 8.328 -6.508 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.019 6.725 -8.307 1.00 0.00 C ATOM 0 H ILE A 15 0.038 9.133 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.309 10.590 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.977 7.721 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.073 8.845 -8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.634 8.247 -7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.141 7.326 -6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.288 8.511 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.260 9.063 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.543 6.571 -9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.636 5.994 -7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.097 6.602 -8.410 1.00 0.00 H new ATOM 214 N VAL A 16 -1.891 9.490 -3.590 1.00 0.00 N ATOM 215 CA VAL A 16 -2.296 9.653 -2.199 1.00 0.00 C ATOM 216 C VAL A 16 -1.224 9.088 -1.267 1.00 0.00 C ATOM 217 O VAL A 16 -0.621 8.049 -1.555 1.00 0.00 O ATOM 218 CB VAL A 16 -3.661 8.964 -1.914 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.590 7.459 -2.181 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.129 9.243 -0.484 1.00 0.00 C ATOM 0 H VAL A 16 -1.107 8.851 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.413 10.721 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.395 9.389 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.559 7.006 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.326 7.287 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.834 7.010 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.086 8.750 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.391 8.861 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.244 10.318 -0.342 1.00 0.00 H new ATOM 230 N ARG A 17 -0.965 9.794 -0.173 1.00 0.00 N ATOM 231 CA ARG A 17 -0.024 9.337 0.845 1.00 0.00 C ATOM 232 C ARG A 17 -0.798 8.937 2.097 1.00 0.00 C ATOM 233 O ARG A 17 -1.231 9.799 2.869 1.00 0.00 O ATOM 234 CB ARG A 17 0.992 10.441 1.173 1.00 0.00 C ATOM 235 CG ARG A 17 1.649 11.061 -0.059 1.00 0.00 C ATOM 236 CD ARG A 17 2.645 12.151 0.315 1.00 0.00 C ATOM 237 NE ARG A 17 3.102 12.903 -0.857 1.00 0.00 N ATOM 238 CZ ARG A 17 4.328 13.403 -1.000 1.00 0.00 C ATOM 239 NH1 ARG A 17 5.253 13.185 -0.078 1.00 0.00 N ATOM 240 NH2 ARG A 17 4.628 14.122 -2.070 1.00 0.00 N ATOM 0 H ARG A 17 -1.398 10.694 0.034 1.00 0.00 H new ATOM 0 HA ARG A 17 0.526 8.475 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.491 11.226 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.768 10.028 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.159 10.284 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.880 11.479 -0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.183 12.835 1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.503 11.702 0.815 1.00 0.00 H new ATOM 0 HE ARG A 17 2.436 13.054 -1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.029 12.631 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.190 13.571 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.920 14.293 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.567 14.505 -2.180 1.00 0.00 H new ATOM 254 N VAL A 18 -0.995 7.637 2.280 1.00 0.00 N ATOM 255 CA VAL A 18 -1.815 7.124 3.373 1.00 0.00 C ATOM 256 C VAL A 18 -0.959 6.816 4.602 1.00 0.00 C ATOM 257 O VAL A 18 0.211 6.448 4.480 1.00 0.00 O ATOM 258 CB VAL A 18 -2.588 5.850 2.943 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.561 5.400 4.033 1.00 0.00 C ATOM 260 CG2 VAL A 18 -3.323 6.081 1.622 1.00 0.00 C ATOM 0 H VAL A 18 -0.596 6.914 1.682 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.536 7.900 3.630 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.860 5.052 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.088 4.505 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.008 5.179 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.281 6.194 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.858 5.174 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.033 6.900 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.603 6.334 0.844 1.00 0.00 H new ATOM 270 N LYS A 19 -1.551 6.976 5.780 1.00 0.00 N ATOM 271 CA LYS A 19 -0.868 6.717 7.042 1.00 0.00 C ATOM 272 C LYS A 19 -0.931 5.228 7.388 1.00 0.00 C ATOM 273 O LYS A 19 -2.017 4.664 7.524 1.00 0.00 O ATOM 274 CB LYS A 19 -1.508 7.555 8.160 1.00 0.00 C ATOM 275 CG LYS A 19 -0.942 7.282 9.550 1.00 0.00 C ATOM 276 CD LYS A 19 -1.568 8.190 10.605 1.00 0.00 C ATOM 277 CE LYS A 19 -3.087 8.056 10.654 1.00 0.00 C ATOM 278 NZ LYS A 19 -3.686 8.927 11.697 1.00 0.00 N ATOM 0 H LYS A 19 -2.516 7.288 5.887 1.00 0.00 H new ATOM 0 HA LYS A 19 0.180 7.000 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.376 8.612 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.581 7.363 8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.119 6.240 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.138 7.429 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.152 7.948 11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.303 9.226 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.506 8.314 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.354 7.018 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.719 8.807 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.306 8.665 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.453 9.920 11.495 1.00 0.00 H new ATOM 292 N ALA A 20 0.238 4.610 7.529 1.00 0.00 N ATOM 293 CA ALA A 20 0.341 3.187 7.851 1.00 0.00 C ATOM 294 C ALA A 20 1.761 2.863 8.310 1.00 0.00 C ATOM 295 O ALA A 20 2.562 3.771 8.528 1.00 0.00 O ATOM 296 CB ALA A 20 -0.044 2.332 6.645 1.00 0.00 C ATOM 0 H ALA A 20 1.138 5.078 7.424 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.352 2.958 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.039 1.277 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.071 2.554 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.624 2.554 5.813 1.00 0.00 H new ATOM 302 N VAL A 21 2.069 1.579 8.465 1.00 0.00 N ATOM 303 CA VAL A 21 3.406 1.149 8.875 1.00 0.00 C ATOM 304 C VAL A 21 4.016 0.219 7.827 1.00 0.00 C ATOM 305 O VAL A 21 3.499 -0.869 7.577 1.00 0.00 O ATOM 306 CB VAL A 21 3.379 0.425 10.246 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.780 -0.039 10.646 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.775 1.327 11.322 1.00 0.00 C ATOM 0 H VAL A 21 1.411 0.815 8.313 1.00 0.00 H new ATOM 0 HA VAL A 21 4.017 2.047 8.969 1.00 0.00 H new ATOM 0 HB VAL A 21 2.748 -0.458 10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.734 -0.544 11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.164 -0.728 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.442 0.824 10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.766 0.799 12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.373 2.234 11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.755 1.592 11.044 1.00 0.00 H new ATOM 318 N VAL A 22 5.106 0.657 7.208 1.00 0.00 N ATOM 319 CA VAL A 22 5.810 -0.157 6.221 1.00 0.00 C ATOM 320 C VAL A 22 6.779 -1.122 6.913 1.00 0.00 C ATOM 321 O VAL A 22 7.622 -0.705 7.713 1.00 0.00 O ATOM 322 CB VAL A 22 6.572 0.720 5.191 1.00 0.00 C ATOM 323 CG1 VAL A 22 5.591 1.459 4.281 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.500 1.713 5.891 1.00 0.00 C ATOM 0 H VAL A 22 5.523 1.573 7.372 1.00 0.00 H new ATOM 0 HA VAL A 22 5.061 -0.733 5.678 1.00 0.00 H new ATOM 0 HB VAL A 22 7.184 0.058 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.145 2.068 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.978 0.736 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.949 2.101 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.020 2.313 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.913 2.366 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.229 1.169 6.491 1.00 0.00 H new ATOM 334 N MET A 23 6.647 -2.410 6.604 1.00 0.00 N ATOM 335 CA MET A 23 7.454 -3.454 7.240 1.00 0.00 C ATOM 336 C MET A 23 8.414 -4.082 6.237 1.00 0.00 C ATOM 337 O MET A 23 8.121 -4.152 5.041 1.00 0.00 O ATOM 338 CB MET A 23 6.553 -4.549 7.834 1.00 0.00 C ATOM 339 CG MET A 23 5.750 -4.107 9.048 1.00 0.00 C ATOM 340 SD MET A 23 6.798 -3.682 10.454 1.00 0.00 S ATOM 341 CE MET A 23 5.567 -3.413 11.728 1.00 0.00 C ATOM 0 H MET A 23 5.984 -2.760 5.912 1.00 0.00 H new ATOM 0 HA MET A 23 8.029 -2.987 8.040 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.864 -4.894 7.063 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.172 -5.401 8.113 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.139 -3.245 8.781 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.066 -4.905 9.337 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.009 -2.846 12.547 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.728 -2.855 11.311 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.214 -4.374 12.102 1.00 0.00 H new ATOM 351 N THR A 24 9.553 -4.548 6.732 1.00 0.00 N ATOM 352 CA THR A 24 10.530 -5.229 5.897 1.00 0.00 C ATOM 353 C THR A 24 10.934 -6.555 6.543 1.00 0.00 C ATOM 354 O THR A 24 10.811 -6.731 7.757 1.00 0.00 O ATOM 355 CB THR A 24 11.784 -4.350 5.660 1.00 0.00 C ATOM 356 OG1 THR A 24 12.603 -4.921 4.628 1.00 0.00 O ATOM 357 CG2 THR A 24 12.605 -4.195 6.931 1.00 0.00 C ATOM 0 H THR A 24 9.823 -4.466 7.712 1.00 0.00 H new ATOM 0 HA THR A 24 10.069 -5.422 4.928 1.00 0.00 H new ATOM 0 HB THR A 24 11.440 -3.363 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.391 -4.356 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.477 -3.573 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.996 -3.725 7.703 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.932 -5.176 7.275 1.00 0.00 H new ATOM 365 N ARG A 25 11.391 -7.490 5.723 1.00 0.00 N ATOM 366 CA ARG A 25 11.835 -8.793 6.200 1.00 0.00 C ATOM 367 C ARG A 25 13.072 -9.223 5.430 1.00 0.00 C ATOM 368 O ARG A 25 13.174 -8.977 4.225 1.00 0.00 O ATOM 369 CB ARG A 25 10.720 -9.843 6.031 1.00 0.00 C ATOM 370 CG ARG A 25 11.151 -11.270 6.367 1.00 0.00 C ATOM 371 CD ARG A 25 11.675 -11.402 7.795 1.00 0.00 C ATOM 372 NE ARG A 25 12.193 -12.746 8.052 1.00 0.00 N ATOM 373 CZ ARG A 25 12.641 -13.183 9.229 1.00 0.00 C ATOM 374 NH1 ARG A 25 12.659 -12.386 10.289 1.00 0.00 N ATOM 375 NH2 ARG A 25 13.078 -14.429 9.344 1.00 0.00 N ATOM 0 H ARG A 25 11.465 -7.369 4.713 1.00 0.00 H new ATOM 0 HA ARG A 25 12.076 -8.714 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.879 -9.570 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.363 -9.816 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.305 -11.943 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.926 -11.586 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.463 -10.668 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.874 -11.178 8.500 1.00 0.00 H new ATOM 0 HE ARG A 25 12.213 -13.400 7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.327 -11.425 10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.005 -12.734 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.071 -15.049 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.422 -14.768 10.242 1.00 0.00 H new ATOM 389 N ASP A 26 14.018 -9.840 6.126 1.00 0.00 N ATOM 390 CA ASP A 26 15.189 -10.401 5.474 1.00 0.00 C ATOM 391 C ASP A 26 14.784 -11.632 4.664 1.00 0.00 C ATOM 392 O ASP A 26 14.383 -12.647 5.234 1.00 0.00 O ATOM 393 CB ASP A 26 16.272 -10.770 6.497 1.00 0.00 C ATOM 394 CG ASP A 26 17.497 -11.401 5.843 1.00 0.00 C ATOM 395 OD1 ASP A 26 18.248 -10.677 5.152 1.00 0.00 O ATOM 396 OD2 ASP A 26 17.709 -12.624 6.005 1.00 0.00 O ATOM 0 H ASP A 26 13.996 -9.963 7.138 1.00 0.00 H new ATOM 0 HA ASP A 26 15.606 -9.648 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.574 -9.875 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.856 -11.463 7.229 1.00 0.00 H new ATOM 401 N ASP A 27 14.856 -11.512 3.341 1.00 0.00 N ATOM 402 CA ASP A 27 14.523 -12.605 2.421 1.00 0.00 C ATOM 403 C ASP A 27 13.052 -13.039 2.554 1.00 0.00 C ATOM 404 O ASP A 27 12.196 -12.586 1.789 1.00 0.00 O ATOM 405 CB ASP A 27 15.470 -13.801 2.634 1.00 0.00 C ATOM 406 CG ASP A 27 15.215 -14.942 1.658 1.00 0.00 C ATOM 407 OD1 ASP A 27 15.762 -14.908 0.535 1.00 0.00 O ATOM 408 OD2 ASP A 27 14.474 -15.882 2.014 1.00 0.00 O ATOM 0 H ASP A 27 15.147 -10.654 2.872 1.00 0.00 H new ATOM 0 HA ASP A 27 14.659 -12.232 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.501 -13.464 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.357 -14.170 3.653 1.00 0.00 H new ATOM 413 N SER A 28 12.756 -13.901 3.531 1.00 0.00 N ATOM 414 CA SER A 28 11.405 -14.444 3.718 1.00 0.00 C ATOM 415 C SER A 28 11.179 -14.858 5.179 1.00 0.00 C ATOM 416 O SER A 28 12.019 -14.585 6.035 1.00 0.00 O ATOM 417 CB SER A 28 11.184 -15.651 2.789 1.00 0.00 C ATOM 418 OG SER A 28 11.284 -15.284 1.421 1.00 0.00 O ATOM 0 H SER A 28 13.438 -14.240 4.209 1.00 0.00 H new ATOM 0 HA SER A 28 10.687 -13.664 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.920 -16.423 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.201 -16.082 2.980 1.00 0.00 H new ATOM 0 HG SER A 28 11.140 -16.074 0.859 1.00 0.00 H new ATOM 424 N SER A 29 10.038 -15.520 5.432 1.00 0.00 N ATOM 425 CA SER A 29 9.643 -16.009 6.765 1.00 0.00 C ATOM 426 C SER A 29 8.938 -14.918 7.576 1.00 0.00 C ATOM 427 O SER A 29 9.184 -13.721 7.387 1.00 0.00 O ATOM 428 CB SER A 29 10.837 -16.582 7.548 1.00 0.00 C ATOM 429 OG SER A 29 10.409 -17.268 8.714 1.00 0.00 O ATOM 0 H SER A 29 9.354 -15.734 4.706 1.00 0.00 H new ATOM 0 HA SER A 29 8.936 -16.823 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.400 -17.263 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.513 -15.774 7.827 1.00 0.00 H new ATOM 0 HG SER A 29 11.189 -17.622 9.190 1.00 0.00 H new ATOM 435 N GLY A 30 8.057 -15.350 8.480 1.00 0.00 N ATOM 436 CA GLY A 30 7.261 -14.430 9.273 1.00 0.00 C ATOM 437 C GLY A 30 8.048 -13.814 10.416 1.00 0.00 C ATOM 438 O GLY A 30 7.966 -14.270 11.559 1.00 0.00 O ATOM 0 H GLY A 30 7.881 -16.335 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.880 -13.637 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.396 -14.957 9.675 1.00 0.00 H new ATOM 442 N GLY A 31 8.831 -12.793 10.096 1.00 0.00 N ATOM 443 CA GLY A 31 9.590 -12.067 11.102 1.00 0.00 C ATOM 444 C GLY A 31 9.836 -10.645 10.658 1.00 0.00 C ATOM 445 O GLY A 31 10.980 -10.192 10.572 1.00 0.00 O ATOM 0 H GLY A 31 8.957 -12.449 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.047 -12.070 12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.542 -12.568 11.279 1.00 0.00 H new ATOM 449 N TRP A 32 8.749 -9.956 10.349 1.00 0.00 N ATOM 450 CA TRP A 32 8.805 -8.617 9.777 1.00 0.00 C ATOM 451 C TRP A 32 9.277 -7.597 10.806 1.00 0.00 C ATOM 452 O TRP A 32 8.643 -7.413 11.848 1.00 0.00 O ATOM 453 CB TRP A 32 7.427 -8.247 9.220 1.00 0.00 C ATOM 454 CG TRP A 32 6.986 -9.186 8.137 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.347 -10.386 8.287 1.00 0.00 C ATOM 456 CD2 TRP A 32 7.184 -9.011 6.735 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.133 -10.960 7.058 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.634 -10.133 6.088 1.00 0.00 C ATOM 459 CE3 TRP A 32 7.765 -8.006 5.967 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.660 -10.277 4.705 1.00 0.00 C ATOM 461 CZ3 TRP A 32 7.788 -8.150 4.599 1.00 0.00 C ATOM 462 CH2 TRP A 32 7.237 -9.276 3.980 1.00 0.00 C ATOM 0 H TRP A 32 7.802 -10.308 10.487 1.00 0.00 H new ATOM 0 HA TRP A 32 9.531 -8.608 8.964 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.695 -8.257 10.028 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.456 -7.230 8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.054 -10.818 9.232 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.675 -11.857 6.894 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.189 -7.130 6.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.240 -11.148 4.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.240 -7.379 3.992 1.00 0.00 H new ATOM 0 HH2 TRP A 32 7.269 -9.355 2.903 1.00 0.00 H new ATOM 473 N PHE A 33 10.398 -6.944 10.506 1.00 0.00 N ATOM 474 CA PHE A 33 10.994 -5.976 11.416 1.00 0.00 C ATOM 475 C PHE A 33 10.789 -4.547 10.897 1.00 0.00 C ATOM 476 O PHE A 33 11.103 -4.247 9.742 1.00 0.00 O ATOM 477 CB PHE A 33 12.491 -6.285 11.641 1.00 0.00 C ATOM 478 CG PHE A 33 13.389 -6.199 10.417 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.510 -7.269 9.528 1.00 0.00 C ATOM 480 CD2 PHE A 33 14.150 -5.059 10.179 1.00 0.00 C ATOM 481 CE1 PHE A 33 14.356 -7.190 8.438 1.00 0.00 C ATOM 482 CE2 PHE A 33 15.002 -4.986 9.094 1.00 0.00 C ATOM 483 CZ PHE A 33 15.104 -6.052 8.222 1.00 0.00 C ATOM 0 H PHE A 33 10.912 -7.071 9.634 1.00 0.00 H new ATOM 0 HA PHE A 33 10.492 -6.055 12.380 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.873 -5.596 12.394 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.574 -7.289 12.056 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.936 -8.169 9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.074 -4.218 10.853 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.431 -8.022 7.753 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.589 -4.095 8.928 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.768 -5.994 7.372 1.00 0.00 H new ATOM 493 N PRO A 34 10.227 -3.653 11.737 1.00 0.00 N ATOM 494 CA PRO A 34 10.002 -2.251 11.369 1.00 0.00 C ATOM 495 C PRO A 34 11.311 -1.458 11.334 1.00 0.00 C ATOM 496 O PRO A 34 11.830 -1.040 12.374 1.00 0.00 O ATOM 497 CB PRO A 34 9.072 -1.737 12.476 1.00 0.00 C ATOM 498 CG PRO A 34 9.386 -2.590 13.659 1.00 0.00 C ATOM 499 CD PRO A 34 9.756 -3.945 13.109 1.00 0.00 C ATOM 0 HA PRO A 34 9.579 -2.143 10.370 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.253 -0.683 12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.025 -1.829 12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.207 -2.167 14.238 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.528 -2.661 14.327 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.534 -4.420 13.706 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.901 -4.621 13.103 1.00 0.00 H new ATOM 507 N GLN A 35 11.844 -1.280 10.129 1.00 0.00 N ATOM 508 CA GLN A 35 13.138 -0.628 9.926 1.00 0.00 C ATOM 509 C GLN A 35 13.187 0.790 10.517 1.00 0.00 C ATOM 510 O GLN A 35 14.120 1.122 11.253 1.00 0.00 O ATOM 511 CB GLN A 35 13.517 -0.606 8.427 1.00 0.00 C ATOM 512 CG GLN A 35 12.577 0.191 7.515 1.00 0.00 C ATOM 513 CD GLN A 35 11.180 -0.403 7.404 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.993 -1.610 7.522 1.00 0.00 O ATOM 515 NE2 GLN A 35 10.191 0.441 7.167 1.00 0.00 N ATOM 0 H GLN A 35 11.393 -1.582 9.265 1.00 0.00 H new ATOM 0 HA GLN A 35 13.874 -1.223 10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.522 -0.194 8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.558 -1.634 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.499 1.211 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.016 0.251 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.383 1.439 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.236 0.095 7.076 1.00 0.00 H new ATOM 524 N GLU A 36 12.183 1.616 10.225 1.00 0.00 N ATOM 525 CA GLU A 36 12.201 3.021 10.647 1.00 0.00 C ATOM 526 C GLU A 36 10.850 3.432 11.235 1.00 0.00 C ATOM 527 O GLU A 36 10.671 3.404 12.454 1.00 0.00 O ATOM 528 CB GLU A 36 12.564 3.916 9.456 1.00 0.00 C ATOM 529 CG GLU A 36 12.864 5.373 9.806 1.00 0.00 C ATOM 530 CD GLU A 36 14.202 5.549 10.506 1.00 0.00 C ATOM 531 OE1 GLU A 36 15.228 5.069 9.969 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.241 6.185 11.579 1.00 0.00 O ATOM 0 H GLU A 36 11.351 1.342 9.702 1.00 0.00 H new ATOM 0 HA GLU A 36 12.955 3.141 11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.435 3.492 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.742 3.893 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.855 5.970 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.071 5.758 10.447 1.00 0.00 H new ATOM 539 N GLY A 37 9.901 3.797 10.368 1.00 0.00 N ATOM 540 CA GLY A 37 8.576 4.198 10.818 1.00 0.00 C ATOM 541 C GLY A 37 7.743 3.024 11.307 1.00 0.00 C ATOM 542 O GLY A 37 6.750 2.654 10.681 1.00 0.00 O ATOM 0 H GLY A 37 10.030 3.821 9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.675 4.928 11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.053 4.694 10.000 1.00 0.00 H new ATOM 546 N GLY A 38 8.154 2.442 12.431 1.00 0.00 N ATOM 547 CA GLY A 38 7.454 1.297 12.991 1.00 0.00 C ATOM 548 C GLY A 38 6.222 1.700 13.775 1.00 0.00 C ATOM 549 O GLY A 38 5.213 0.990 13.772 1.00 0.00 O ATOM 0 H GLY A 38 8.966 2.746 12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.164 0.622 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.131 0.744 13.642 1.00 0.00 H new ATOM 553 N GLY A 39 6.307 2.839 14.454 1.00 0.00 N ATOM 554 CA GLY A 39 5.172 3.351 15.203 1.00 0.00 C ATOM 555 C GLY A 39 4.176 4.041 14.296 1.00 0.00 C ATOM 556 O GLY A 39 2.973 4.066 14.577 1.00 0.00 O ATOM 0 H GLY A 39 7.145 3.419 14.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.681 2.531 15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.521 4.051 15.962 1.00 0.00 H new ATOM 560 N ILE A 40 4.688 4.598 13.204 1.00 0.00 N ATOM 561 CA ILE A 40 3.871 5.285 12.212 1.00 0.00 C ATOM 562 C ILE A 40 4.737 5.698 11.023 1.00 0.00 C ATOM 563 O ILE A 40 5.872 6.145 11.198 1.00 0.00 O ATOM 564 CB ILE A 40 3.176 6.542 12.810 1.00 0.00 C ATOM 565 CG1 ILE A 40 2.292 7.232 11.754 1.00 0.00 C ATOM 566 CG2 ILE A 40 4.211 7.519 13.377 1.00 0.00 C ATOM 567 CD1 ILE A 40 1.613 8.496 12.246 1.00 0.00 C ATOM 0 H ILE A 40 5.683 4.585 12.982 1.00 0.00 H new ATOM 0 HA ILE A 40 3.095 4.593 11.885 1.00 0.00 H new ATOM 0 HB ILE A 40 2.534 6.217 13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.904 7.476 10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.529 6.529 11.419 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.702 8.390 13.789 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.783 7.027 14.164 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.886 7.836 12.582 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.010 8.921 11.444 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.972 8.258 13.095 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.369 9.219 12.554 1.00 0.00 H new ATOM 579 N SER A 41 4.203 5.542 9.821 1.00 0.00 N ATOM 580 CA SER A 41 4.898 5.942 8.604 1.00 0.00 C ATOM 581 C SER A 41 3.881 6.462 7.588 1.00 0.00 C ATOM 582 O SER A 41 2.679 6.523 7.880 1.00 0.00 O ATOM 583 CB SER A 41 5.692 4.758 8.030 1.00 0.00 C ATOM 584 OG SER A 41 6.510 5.163 6.945 1.00 0.00 O ATOM 0 H SER A 41 3.281 5.137 9.661 1.00 0.00 H new ATOM 0 HA SER A 41 5.605 6.739 8.834 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.312 4.320 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.002 3.982 7.698 1.00 0.00 H new ATOM 0 HG SER A 41 7.228 5.742 7.275 1.00 0.00 H new ATOM 590 N ARG A 42 4.350 6.842 6.404 1.00 0.00 N ATOM 591 CA ARG A 42 3.477 7.411 5.378 1.00 0.00 C ATOM 592 C ARG A 42 3.711 6.714 4.041 1.00 0.00 C ATOM 593 O ARG A 42 4.742 6.911 3.391 1.00 0.00 O ATOM 594 CB ARG A 42 3.713 8.927 5.247 1.00 0.00 C ATOM 595 CG ARG A 42 3.637 9.670 6.579 1.00 0.00 C ATOM 596 CD ARG A 42 3.880 11.167 6.426 1.00 0.00 C ATOM 597 NE ARG A 42 3.992 11.824 7.731 1.00 0.00 N ATOM 598 CZ ARG A 42 3.623 13.079 7.983 1.00 0.00 C ATOM 599 NH1 ARG A 42 3.104 13.837 7.024 1.00 0.00 N ATOM 600 NH2 ARG A 42 3.774 13.576 9.203 1.00 0.00 N ATOM 0 H ARG A 42 5.329 6.767 6.129 1.00 0.00 H new ATOM 0 HA ARG A 42 2.441 7.252 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.692 9.097 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.973 9.345 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.656 9.508 7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.374 9.254 7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.793 11.333 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.063 11.614 5.860 1.00 0.00 H new ATOM 0 HE ARG A 42 4.381 11.281 8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.985 13.459 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.825 14.797 7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.171 12.998 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.493 14.536 9.401 1.00 0.00 H new ATOM 614 N VAL A 43 2.753 5.883 3.645 1.00 0.00 N ATOM 615 CA VAL A 43 2.841 5.144 2.393 1.00 0.00 C ATOM 616 C VAL A 43 2.413 6.031 1.229 1.00 0.00 C ATOM 617 O VAL A 43 1.222 6.291 1.031 1.00 0.00 O ATOM 618 CB VAL A 43 1.960 3.871 2.425 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.147 3.042 1.153 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.264 3.040 3.670 1.00 0.00 C ATOM 0 H VAL A 43 1.902 5.704 4.178 1.00 0.00 H new ATOM 0 HA VAL A 43 3.879 4.839 2.260 1.00 0.00 H new ATOM 0 HB VAL A 43 0.916 4.181 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.517 2.154 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.866 3.639 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.191 2.742 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.635 2.149 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.313 2.744 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.061 3.633 4.562 1.00 0.00 H new ATOM 630 N GLY A 44 3.391 6.515 0.479 1.00 0.00 N ATOM 631 CA GLY A 44 3.114 7.382 -0.644 1.00 0.00 C ATOM 632 C GLY A 44 2.930 6.612 -1.934 1.00 0.00 C ATOM 633 O GLY A 44 3.902 6.124 -2.519 1.00 0.00 O ATOM 0 H GLY A 44 4.380 6.320 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.214 7.962 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.932 8.093 -0.762 1.00 0.00 H new ATOM 637 N VAL A 45 1.684 6.491 -2.377 1.00 0.00 N ATOM 638 CA VAL A 45 1.378 5.848 -3.647 1.00 0.00 C ATOM 639 C VAL A 45 1.433 6.879 -4.773 1.00 0.00 C ATOM 640 O VAL A 45 0.526 7.703 -4.919 1.00 0.00 O ATOM 641 CB VAL A 45 -0.020 5.174 -3.625 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.303 4.460 -4.948 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.130 4.204 -2.448 1.00 0.00 C ATOM 0 H VAL A 45 0.866 6.832 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 45 2.123 5.071 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.772 5.953 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.288 3.996 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.275 5.182 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.453 3.693 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.117 3.741 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.633 3.431 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.015 4.747 -1.514 1.00 0.00 H new ATOM 653 N CYS A 46 2.517 6.855 -5.542 1.00 0.00 N ATOM 654 CA CYS A 46 2.707 7.798 -6.643 1.00 0.00 C ATOM 655 C CYS A 46 2.561 7.107 -7.994 1.00 0.00 C ATOM 656 O CYS A 46 2.920 5.937 -8.147 1.00 0.00 O ATOM 657 CB CYS A 46 4.085 8.465 -6.534 1.00 0.00 C ATOM 658 SG CYS A 46 5.442 7.315 -6.223 1.00 0.00 S ATOM 0 H CYS A 46 3.281 6.190 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 46 1.933 8.562 -6.571 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.288 9.007 -7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.057 9.202 -5.731 1.00 0.00 H new ATOM 0 HG CYS A 46 4.960 6.145 -5.924 1.00 0.00 H new ATOM 664 N LYS A 47 2.016 7.839 -8.963 1.00 0.00 N ATOM 665 CA LYS A 47 1.904 7.359 -10.336 1.00 0.00 C ATOM 666 C LYS A 47 3.063 7.942 -11.143 1.00 0.00 C ATOM 667 O LYS A 47 3.037 9.115 -11.522 1.00 0.00 O ATOM 668 CB LYS A 47 0.552 7.781 -10.945 1.00 0.00 C ATOM 669 CG LYS A 47 0.166 7.021 -12.216 1.00 0.00 C ATOM 670 CD LYS A 47 -1.044 7.646 -12.911 1.00 0.00 C ATOM 671 CE LYS A 47 -2.294 7.592 -12.040 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.439 8.305 -12.668 1.00 0.00 N ATOM 0 H LYS A 47 1.642 8.777 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 47 1.950 6.270 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.229 7.637 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.586 8.847 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.012 7.009 -12.903 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.056 5.984 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.822 8.683 -13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.233 7.124 -13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.568 6.552 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.079 8.036 -11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.269 8.245 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.188 9.303 -12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.661 7.865 -13.584 1.00 0.00 H new ATOM 686 N VAL A 48 4.091 7.131 -11.368 1.00 0.00 N ATOM 687 CA VAL A 48 5.328 7.603 -11.982 1.00 0.00 C ATOM 688 C VAL A 48 5.254 7.552 -13.508 1.00 0.00 C ATOM 689 O VAL A 48 4.899 6.528 -14.094 1.00 0.00 O ATOM 690 CB VAL A 48 6.551 6.787 -11.488 1.00 0.00 C ATOM 691 CG1 VAL A 48 6.777 7.010 -9.993 1.00 0.00 C ATOM 692 CG2 VAL A 48 6.377 5.298 -11.791 1.00 0.00 C ATOM 0 H VAL A 48 4.092 6.138 -11.133 1.00 0.00 H new ATOM 0 HA VAL A 48 5.454 8.642 -11.677 1.00 0.00 H new ATOM 0 HB VAL A 48 7.431 7.139 -12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.639 6.429 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.960 8.068 -9.807 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.893 6.692 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.249 4.750 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.484 4.926 -11.289 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.274 5.155 -12.867 1.00 0.00 H new ATOM 702 N MET A 49 5.581 8.672 -14.143 1.00 0.00 N ATOM 703 CA MET A 49 5.579 8.761 -15.600 1.00 0.00 C ATOM 704 C MET A 49 6.901 8.252 -16.170 1.00 0.00 C ATOM 705 O MET A 49 7.969 8.502 -15.607 1.00 0.00 O ATOM 706 CB MET A 49 5.311 10.206 -16.056 1.00 0.00 C ATOM 707 CG MET A 49 6.304 11.231 -15.515 1.00 0.00 C ATOM 708 SD MET A 49 5.913 12.919 -16.026 1.00 0.00 S ATOM 709 CE MET A 49 6.132 12.804 -17.802 1.00 0.00 C ATOM 0 H MET A 49 5.852 9.534 -13.670 1.00 0.00 H new ATOM 0 HA MET A 49 4.776 8.130 -15.981 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.329 10.240 -17.145 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.306 10.492 -15.745 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.316 11.179 -14.426 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.307 10.975 -15.858 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.207 13.806 -18.225 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.044 12.248 -18.021 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.278 12.288 -18.241 1.00 0.00 H new ATOM 828 N GLY A 58 3.243 4.506 -14.811 1.00 0.00 N ATOM 829 CA GLY A 58 3.302 3.394 -13.882 1.00 0.00 C ATOM 830 C GLY A 58 3.068 3.848 -12.458 1.00 0.00 C ATOM 831 O GLY A 58 2.551 4.941 -12.228 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.554 2.650 -14.155 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.275 2.909 -13.955 1.00 0.00 H new ATOM 835 N PHE A 59 3.457 3.025 -11.493 1.00 0.00 N ATOM 836 CA PHE A 59 3.227 3.336 -10.087 1.00 0.00 C ATOM 837 C PHE A 59 4.479 3.054 -9.273 1.00 0.00 C ATOM 838 O PHE A 59 5.391 2.372 -9.740 1.00 0.00 O ATOM 839 CB PHE A 59 2.038 2.522 -9.553 1.00 0.00 C ATOM 840 CG PHE A 59 0.781 2.731 -10.356 1.00 0.00 C ATOM 841 CD1 PHE A 59 -0.057 3.801 -10.085 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.455 1.875 -11.404 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.195 4.016 -10.835 1.00 0.00 C ATOM 844 CE2 PHE A 59 -0.681 2.092 -12.162 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.506 3.165 -11.874 1.00 0.00 C ATOM 0 H PHE A 59 3.933 2.138 -11.657 1.00 0.00 H new ATOM 0 HA PHE A 59 2.990 4.396 -9.994 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.296 1.463 -9.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.851 2.798 -8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.184 4.475 -9.276 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.095 1.034 -11.627 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.842 4.851 -10.608 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.924 1.426 -12.977 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.394 3.336 -12.464 1.00 0.00 H new ATOM 855 N LEU A 60 4.526 3.593 -8.066 1.00 0.00 N ATOM 856 CA LEU A 60 5.646 3.365 -7.164 1.00 0.00 C ATOM 857 C LEU A 60 5.149 3.438 -5.724 1.00 0.00 C ATOM 858 O LEU A 60 4.621 4.467 -5.294 1.00 0.00 O ATOM 859 CB LEU A 60 6.756 4.411 -7.411 1.00 0.00 C ATOM 860 CG LEU A 60 8.195 4.010 -7.002 1.00 0.00 C ATOM 861 CD1 LEU A 60 9.186 5.115 -7.364 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.290 3.684 -5.511 1.00 0.00 C ATOM 0 H LEU A 60 3.797 4.196 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 60 6.068 2.377 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.761 4.658 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.491 5.321 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 60 8.451 3.108 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.191 4.814 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.161 5.288 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.914 6.033 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.315 3.407 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.999 4.558 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.624 2.854 -5.277 1.00 0.00 H new ATOM 874 N ILE A 61 5.290 2.335 -4.997 1.00 0.00 N ATOM 875 CA ILE A 61 4.947 2.295 -3.584 1.00 0.00 C ATOM 876 C ILE A 61 6.115 2.851 -2.774 1.00 0.00 C ATOM 877 O ILE A 61 7.049 2.124 -2.432 1.00 0.00 O ATOM 878 CB ILE A 61 4.615 0.853 -3.117 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.521 0.239 -4.010 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.185 0.839 -1.649 1.00 0.00 C ATOM 881 CD1 ILE A 61 2.217 1.014 -4.017 1.00 0.00 C ATOM 0 H ILE A 61 5.642 1.452 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 61 4.056 2.903 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 61 5.517 0.248 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.896 0.172 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.324 -0.779 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.958 -0.183 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.992 1.230 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.298 1.460 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.501 0.515 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.815 1.059 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.397 2.025 -4.382 1.00 0.00 H new ATOM 893 N HIS A 62 6.078 4.153 -2.521 1.00 0.00 N ATOM 894 CA HIS A 62 7.176 4.853 -1.863 1.00 0.00 C ATOM 895 C HIS A 62 6.817 5.111 -0.397 1.00 0.00 C ATOM 896 O HIS A 62 6.092 6.058 -0.081 1.00 0.00 O ATOM 897 CB HIS A 62 7.445 6.168 -2.607 1.00 0.00 C ATOM 898 CG HIS A 62 8.778 6.780 -2.318 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.948 8.001 -1.707 1.00 0.00 N ATOM 900 CD2 HIS A 62 10.022 6.329 -2.607 1.00 0.00 C ATOM 901 CE1 HIS A 62 10.259 8.248 -1.647 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.957 7.265 -2.181 1.00 0.00 N ATOM 0 H HIS A 62 5.290 4.753 -2.765 1.00 0.00 H new ATOM 0 HA HIS A 62 8.080 4.245 -1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.367 5.987 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.666 6.884 -2.347 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.251 5.391 -3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.692 9.139 -1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.972 7.204 -2.264 1.00 0.00 H new ATOM 910 N GLY A 63 7.309 4.248 0.486 1.00 0.00 N ATOM 911 CA GLY A 63 6.904 4.271 1.882 1.00 0.00 C ATOM 912 C GLY A 63 7.942 4.860 2.826 1.00 0.00 C ATOM 913 O GLY A 63 9.061 4.340 2.942 1.00 0.00 O ATOM 0 H GLY A 63 7.990 3.524 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.982 4.845 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.678 3.253 2.199 1.00 0.00 H new ATOM 917 N GLU A 64 7.555 5.975 3.454 1.00 0.00 N ATOM 918 CA GLU A 64 8.215 6.543 4.633 1.00 0.00 C ATOM 919 C GLU A 64 7.732 7.982 4.833 1.00 0.00 C ATOM 920 O GLU A 64 6.653 8.199 5.380 1.00 0.00 O ATOM 921 CB GLU A 64 9.748 6.483 4.587 1.00 0.00 C ATOM 922 CG GLU A 64 10.407 6.902 5.904 1.00 0.00 C ATOM 923 CD GLU A 64 9.762 6.250 7.127 1.00 0.00 C ATOM 924 OE1 GLU A 64 10.179 5.139 7.514 1.00 0.00 O ATOM 925 OE2 GLU A 64 8.824 6.849 7.692 1.00 0.00 O ATOM 0 H GLU A 64 6.751 6.522 3.147 1.00 0.00 H new ATOM 0 HA GLU A 64 7.933 5.923 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.058 5.468 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.107 7.130 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.465 6.640 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.350 7.986 6.004 1.00 0.00 H new ATOM 932 N ARG A 65 8.531 8.961 4.387 1.00 0.00 N ATOM 933 CA ARG A 65 8.123 10.373 4.348 1.00 0.00 C ATOM 934 C ARG A 65 7.745 10.942 5.734 1.00 0.00 C ATOM 935 O ARG A 65 7.443 12.129 5.846 1.00 0.00 O ATOM 936 CB ARG A 65 6.951 10.538 3.358 1.00 0.00 C ATOM 937 CG ARG A 65 6.435 11.969 3.198 1.00 0.00 C ATOM 938 CD ARG A 65 7.514 12.922 2.688 1.00 0.00 C ATOM 939 NE ARG A 65 7.001 14.286 2.531 1.00 0.00 N ATOM 940 CZ ARG A 65 7.100 15.002 1.410 1.00 0.00 C ATOM 941 NH1 ARG A 65 7.714 14.494 0.345 1.00 0.00 N ATOM 942 NH2 ARG A 65 6.588 16.223 1.351 1.00 0.00 N ATOM 0 H ARG A 65 9.477 8.797 4.043 1.00 0.00 H new ATOM 0 HA ARG A 65 8.986 10.949 4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.266 10.170 2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.126 9.905 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.593 11.974 2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.061 12.327 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.354 12.927 3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.894 12.563 1.731 1.00 0.00 H new ATOM 0 HE ARG A 65 6.538 14.716 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.110 13.555 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.788 15.043 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.116 16.618 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.666 16.768 0.492 1.00 0.00 H new ATOM 956 N GLN A 66 7.803 10.122 6.784 1.00 0.00 N ATOM 957 CA GLN A 66 7.294 10.520 8.102 1.00 0.00 C ATOM 958 C GLN A 66 7.871 11.862 8.562 1.00 0.00 C ATOM 959 O GLN A 66 7.129 12.816 8.809 1.00 0.00 O ATOM 960 CB GLN A 66 7.588 9.438 9.149 1.00 0.00 C ATOM 961 CG GLN A 66 6.973 9.728 10.513 1.00 0.00 C ATOM 962 CD GLN A 66 5.473 9.958 10.431 1.00 0.00 C ATOM 963 OE1 GLN A 66 5.008 11.088 10.273 1.00 0.00 O ATOM 964 NE2 GLN A 66 4.709 8.886 10.511 1.00 0.00 N ATOM 0 H GLN A 66 8.195 9.181 6.751 1.00 0.00 H new ATOM 0 HA GLN A 66 6.215 10.638 8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.213 8.481 8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.667 9.335 9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.174 8.894 11.185 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.450 10.608 10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.132 7.967 10.642 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.695 8.976 10.442 1.00 0.00 H new ATOM 973 N LYS A 67 9.194 11.934 8.669 1.00 0.00 N ATOM 974 CA LYS A 67 9.864 13.153 9.126 1.00 0.00 C ATOM 975 C LYS A 67 10.223 14.046 7.931 1.00 0.00 C ATOM 976 O LYS A 67 10.865 15.088 8.087 1.00 0.00 O ATOM 977 CB LYS A 67 11.126 12.781 9.926 1.00 0.00 C ATOM 978 CG LYS A 67 11.725 13.935 10.728 1.00 0.00 C ATOM 979 CD LYS A 67 13.030 13.530 11.413 1.00 0.00 C ATOM 980 CE LYS A 67 13.596 14.658 12.270 1.00 0.00 C ATOM 981 NZ LYS A 67 12.748 14.940 13.459 1.00 0.00 N ATOM 0 H LYS A 67 9.826 11.165 8.446 1.00 0.00 H new ATOM 0 HA LYS A 67 9.188 13.711 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.882 11.967 10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.881 12.403 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.909 14.781 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.008 14.267 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.856 12.653 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.763 13.245 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.602 14.394 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.684 15.561 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.244 15.602 14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.849 15.362 13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.558 14.053 13.968 1.00 0.00 H new ATOM 995 N ASP A 68 9.775 13.628 6.743 1.00 0.00 N ATOM 996 CA ASP A 68 10.094 14.304 5.479 1.00 0.00 C ATOM 997 C ASP A 68 11.598 14.216 5.185 1.00 0.00 C ATOM 998 O ASP A 68 12.419 14.170 6.102 1.00 0.00 O ATOM 999 CB ASP A 68 9.609 15.766 5.494 1.00 0.00 C ATOM 1000 CG ASP A 68 9.791 16.479 4.158 1.00 0.00 C ATOM 1001 OD1 ASP A 68 9.715 15.820 3.100 1.00 0.00 O ATOM 1002 OD2 ASP A 68 10.012 17.708 4.162 1.00 0.00 O ATOM 0 H ASP A 68 9.179 12.808 6.629 1.00 0.00 H new ATOM 0 HA ASP A 68 9.564 13.793 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.554 15.788 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.151 16.313 6.266 1.00 0.00 H new ATOM 1007 N LYS A 69 11.947 14.185 3.898 1.00 0.00 N ATOM 1008 CA LYS A 69 13.316 13.881 3.458 1.00 0.00 C ATOM 1009 C LYS A 69 13.778 12.530 4.018 1.00 0.00 C ATOM 1010 O LYS A 69 14.976 12.281 4.168 1.00 0.00 O ATOM 1011 CB LYS A 69 14.316 14.990 3.856 1.00 0.00 C ATOM 1012 CG LYS A 69 14.254 16.249 2.982 1.00 0.00 C ATOM 1013 CD LYS A 69 13.143 17.205 3.401 1.00 0.00 C ATOM 1014 CE LYS A 69 13.396 17.789 4.787 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.351 18.772 5.180 1.00 0.00 N ATOM 0 H LYS A 69 11.297 14.368 3.134 1.00 0.00 H new ATOM 0 HA LYS A 69 13.296 13.830 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.131 15.273 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.326 14.583 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.211 16.768 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.103 15.957 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.065 18.013 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.189 16.679 3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.428 16.982 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.373 18.273 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.225 18.751 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.643 19.726 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.452 18.527 4.717 1.00 0.00 H new ATOM 1029 N LEU A 70 12.818 11.651 4.295 1.00 0.00 N ATOM 1030 CA LEU A 70 13.107 10.333 4.852 1.00 0.00 C ATOM 1031 C LEU A 70 12.402 9.265 4.015 1.00 0.00 C ATOM 1032 O LEU A 70 11.201 9.368 3.755 1.00 0.00 O ATOM 1033 CB LEU A 70 12.639 10.265 6.324 1.00 0.00 C ATOM 1034 CG LEU A 70 13.520 9.433 7.281 1.00 0.00 C ATOM 1035 CD1 LEU A 70 12.929 9.427 8.690 1.00 0.00 C ATOM 1036 CD2 LEU A 70 13.714 8.003 6.775 1.00 0.00 C ATOM 0 H LEU A 70 11.826 11.830 4.141 1.00 0.00 H new ATOM 0 HA LEU A 70 14.182 10.154 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.578 11.282 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.629 9.855 6.344 1.00 0.00 H new ATOM 0 HG LEU A 70 14.501 9.906 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.565 8.835 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.870 10.449 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.930 8.992 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.339 7.451 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.744 7.513 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.197 8.025 5.798 1.00 0.00 H new ATOM 1048 N VAL A 71 13.158 8.258 3.579 1.00 0.00 N ATOM 1049 CA VAL A 71 12.627 7.149 2.781 1.00 0.00 C ATOM 1050 C VAL A 71 13.225 5.835 3.280 1.00 0.00 C ATOM 1051 O VAL A 71 14.404 5.796 3.641 1.00 0.00 O ATOM 1052 CB VAL A 71 12.975 7.311 1.277 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.366 6.178 0.451 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.527 8.676 0.753 1.00 0.00 C ATOM 0 H VAL A 71 14.158 8.186 3.768 1.00 0.00 H new ATOM 0 HA VAL A 71 11.542 7.148 2.890 1.00 0.00 H new ATOM 0 HB VAL A 71 14.059 7.255 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.624 6.314 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.757 5.222 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.282 6.189 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.783 8.762 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.448 8.776 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.030 9.464 1.314 1.00 0.00 H new ATOM 1064 N VAL A 72 12.421 4.770 3.332 1.00 0.00 N ATOM 1065 CA VAL A 72 12.937 3.462 3.749 1.00 0.00 C ATOM 1066 C VAL A 72 12.551 2.350 2.779 1.00 0.00 C ATOM 1067 O VAL A 72 13.365 1.475 2.471 1.00 0.00 O ATOM 1068 CB VAL A 72 12.456 3.087 5.168 1.00 0.00 C ATOM 1069 CG1 VAL A 72 13.018 4.066 6.189 1.00 0.00 C ATOM 1070 CG2 VAL A 72 10.929 3.039 5.244 1.00 0.00 C ATOM 0 H VAL A 72 11.429 4.784 3.096 1.00 0.00 H new ATOM 0 HA VAL A 72 14.023 3.557 3.751 1.00 0.00 H new ATOM 0 HB VAL A 72 12.827 2.089 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.672 3.791 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.107 4.035 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.678 5.074 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.623 2.772 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.521 4.017 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.553 2.294 4.543 1.00 0.00 H new ATOM 1080 N LEU A 73 11.317 2.380 2.300 1.00 0.00 N ATOM 1081 CA LEU A 73 10.804 1.321 1.443 1.00 0.00 C ATOM 1082 C LEU A 73 10.299 1.926 0.138 1.00 0.00 C ATOM 1083 O LEU A 73 9.614 2.945 0.151 1.00 0.00 O ATOM 1084 CB LEU A 73 9.669 0.567 2.173 1.00 0.00 C ATOM 1085 CG LEU A 73 9.551 -0.945 1.878 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.431 -1.572 2.707 1.00 0.00 C ATOM 1087 CD2 LEU A 73 9.322 -1.211 0.389 1.00 0.00 C ATOM 0 H LEU A 73 10.650 3.128 2.491 1.00 0.00 H new ATOM 0 HA LEU A 73 11.599 0.611 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.808 0.696 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.722 1.041 1.915 1.00 0.00 H new ATOM 0 HG LEU A 73 10.497 -1.408 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.365 -2.637 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.643 -1.436 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.484 -1.091 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.244 -2.285 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.400 -0.725 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.159 -0.813 -0.185 1.00 0.00 H new ATOM 1099 N GLU A 74 10.666 1.321 -0.980 1.00 0.00 N ATOM 1100 CA GLU A 74 10.135 1.719 -2.277 1.00 0.00 C ATOM 1101 C GLU A 74 10.024 0.501 -3.185 1.00 0.00 C ATOM 1102 O GLU A 74 10.966 -0.287 -3.312 1.00 0.00 O ATOM 1103 CB GLU A 74 11.005 2.807 -2.927 1.00 0.00 C ATOM 1104 CG GLU A 74 12.469 2.426 -3.064 1.00 0.00 C ATOM 1105 CD GLU A 74 13.307 3.516 -3.713 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.308 3.611 -4.958 1.00 0.00 O ATOM 1107 OE2 GLU A 74 13.976 4.281 -2.980 1.00 0.00 O ATOM 0 H GLU A 74 11.332 0.549 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 74 9.142 2.142 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.605 3.035 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.931 3.719 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.875 2.202 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.548 1.514 -3.655 1.00 0.00 H new ATOM 1114 N CYS A 75 8.860 0.336 -3.793 1.00 0.00 N ATOM 1115 CA CYS A 75 8.602 -0.787 -4.677 1.00 0.00 C ATOM 1116 C CYS A 75 8.020 -0.269 -5.982 1.00 0.00 C ATOM 1117 O CYS A 75 6.886 0.218 -6.020 1.00 0.00 O ATOM 1118 CB CYS A 75 7.641 -1.781 -4.013 1.00 0.00 C ATOM 1119 SG CYS A 75 7.367 -3.296 -4.961 1.00 0.00 S ATOM 0 H CYS A 75 8.071 0.974 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 75 9.536 -1.310 -4.882 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.033 -2.046 -3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.682 -1.289 -3.851 1.00 0.00 H new ATOM 0 HG CYS A 75 6.365 -3.950 -4.453 1.00 0.00 H new ATOM 1125 N TYR A 76 8.811 -0.344 -7.042 1.00 0.00 N ATOM 1126 CA TYR A 76 8.407 0.171 -8.338 1.00 0.00 C ATOM 1127 C TYR A 76 7.384 -0.769 -8.976 1.00 0.00 C ATOM 1128 O TYR A 76 7.604 -1.979 -9.048 1.00 0.00 O ATOM 1129 CB TYR A 76 9.639 0.329 -9.241 1.00 0.00 C ATOM 1130 CG TYR A 76 9.426 1.249 -10.428 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.637 2.620 -10.309 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.030 0.754 -11.666 1.00 0.00 C ATOM 1133 CE1 TYR A 76 9.458 3.467 -11.384 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.851 1.596 -12.747 1.00 0.00 C ATOM 1135 CZ TYR A 76 9.067 2.950 -12.601 1.00 0.00 C ATOM 1136 OH TYR A 76 8.894 3.792 -13.677 1.00 0.00 O ATOM 0 H TYR A 76 9.742 -0.760 -7.027 1.00 0.00 H new ATOM 0 HA TYR A 76 7.943 1.149 -8.211 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.467 0.711 -8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.936 -0.654 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.946 3.028 -9.358 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.860 -0.306 -11.784 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.623 4.528 -11.273 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.543 1.195 -13.702 1.00 0.00 H new ATOM 0 HH TYR A 76 8.619 3.270 -14.460 1.00 0.00 H new ATOM 1146 N VAL A 77 6.270 -0.210 -9.428 1.00 0.00 N ATOM 1147 CA VAL A 77 5.193 -0.991 -10.017 1.00 0.00 C ATOM 1148 C VAL A 77 5.200 -0.796 -11.523 1.00 0.00 C ATOM 1149 O VAL A 77 4.520 0.082 -12.063 1.00 0.00 O ATOM 1150 CB VAL A 77 3.811 -0.596 -9.435 1.00 0.00 C ATOM 1151 CG1 VAL A 77 2.690 -1.425 -10.065 1.00 0.00 C ATOM 1152 CG2 VAL A 77 3.807 -0.737 -7.913 1.00 0.00 C ATOM 0 H VAL A 77 6.088 0.793 -9.397 1.00 0.00 H new ATOM 0 HA VAL A 77 5.360 -2.041 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 77 3.628 0.450 -9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.733 -1.126 -9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.675 -1.258 -11.142 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.863 -2.482 -9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.829 -0.455 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.021 -1.771 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.569 -0.085 -7.485 1.00 0.00 H new ATOM 1162 N ARG A 78 6.016 -1.592 -12.189 1.00 0.00 N ATOM 1163 CA ARG A 78 6.146 -1.527 -13.634 1.00 0.00 C ATOM 1164 C ARG A 78 5.267 -2.598 -14.277 1.00 0.00 C ATOM 1165 O ARG A 78 5.766 -3.568 -14.852 1.00 0.00 O ATOM 1166 CB ARG A 78 7.621 -1.694 -14.043 1.00 0.00 C ATOM 1167 CG ARG A 78 8.308 -2.885 -13.378 1.00 0.00 C ATOM 1168 CD ARG A 78 9.746 -3.054 -13.845 1.00 0.00 C ATOM 1169 NE ARG A 78 9.839 -3.252 -15.293 1.00 0.00 N ATOM 1170 CZ ARG A 78 9.610 -4.414 -15.911 1.00 0.00 C ATOM 1171 NH1 ARG A 78 9.149 -5.461 -15.235 1.00 0.00 N ATOM 1172 NH2 ARG A 78 9.803 -4.512 -17.219 1.00 0.00 N ATOM 0 H ARG A 78 6.605 -2.298 -11.747 1.00 0.00 H new ATOM 0 HA ARG A 78 5.811 -0.551 -13.986 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.679 -1.810 -15.125 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.165 -0.784 -13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.292 -2.754 -12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.748 -3.794 -13.597 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.323 -2.174 -13.563 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.194 -3.906 -13.334 1.00 0.00 H new ATOM 0 HE ARG A 78 10.096 -2.449 -15.868 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.967 -5.382 -14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.978 -6.344 -15.717 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.125 -3.702 -17.749 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.630 -5.397 -17.695 1.00 0.00 H new ATOM 1186 N LYS A 79 3.951 -2.419 -14.134 1.00 0.00 N ATOM 1187 CA LYS A 79 2.945 -3.386 -14.593 1.00 0.00 C ATOM 1188 C LYS A 79 2.854 -4.567 -13.621 1.00 0.00 C ATOM 1189 O LYS A 79 1.759 -4.941 -13.194 1.00 0.00 O ATOM 1190 CB LYS A 79 3.233 -3.858 -16.043 1.00 0.00 C ATOM 1191 CG LYS A 79 2.213 -4.845 -16.634 1.00 0.00 C ATOM 1192 CD LYS A 79 2.473 -6.294 -16.205 1.00 0.00 C ATOM 1193 CE LYS A 79 1.554 -7.282 -16.919 1.00 0.00 C ATOM 1194 NZ LYS A 79 0.115 -7.026 -16.637 1.00 0.00 N ATOM 0 H LYS A 79 3.548 -1.592 -13.693 1.00 0.00 H new ATOM 0 HA LYS A 79 1.976 -2.888 -14.608 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.280 -2.981 -16.689 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.218 -4.324 -16.066 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.210 -4.553 -16.324 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.241 -4.782 -17.722 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.512 -6.552 -16.413 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.332 -6.383 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.727 -7.223 -17.994 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.807 -8.297 -16.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.464 -7.763 -17.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.045 -7.041 -15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.153 -6.095 -17.015 1.00 0.00 H new ATOM 1208 N ASP A 80 3.999 -5.144 -13.262 1.00 0.00 N ATOM 1209 CA ASP A 80 4.025 -6.298 -12.363 1.00 0.00 C ATOM 1210 C ASP A 80 3.923 -5.849 -10.910 1.00 0.00 C ATOM 1211 O ASP A 80 4.653 -4.958 -10.466 1.00 0.00 O ATOM 1212 CB ASP A 80 5.280 -7.165 -12.585 1.00 0.00 C ATOM 1213 CG ASP A 80 6.594 -6.418 -12.387 1.00 0.00 C ATOM 1214 OD1 ASP A 80 7.077 -5.799 -13.359 1.00 0.00 O ATOM 1215 OD2 ASP A 80 7.166 -6.479 -11.278 1.00 0.00 O ATOM 0 H ASP A 80 4.918 -4.834 -13.578 1.00 0.00 H new ATOM 0 HA ASP A 80 3.158 -6.917 -12.594 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.249 -8.012 -11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.254 -7.571 -13.596 1.00 0.00 H new ATOM 1220 N LEU A 81 2.985 -6.462 -10.190 1.00 0.00 N ATOM 1221 CA LEU A 81 2.715 -6.139 -8.792 1.00 0.00 C ATOM 1222 C LEU A 81 1.625 -7.078 -8.274 1.00 0.00 C ATOM 1223 O LEU A 81 0.630 -7.314 -8.961 1.00 0.00 O ATOM 1224 CB LEU A 81 2.283 -4.660 -8.666 1.00 0.00 C ATOM 1225 CG LEU A 81 2.069 -4.103 -7.240 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.710 -4.514 -6.672 1.00 0.00 C ATOM 1227 CD2 LEU A 81 3.200 -4.538 -6.308 1.00 0.00 C ATOM 0 H LEU A 81 2.388 -7.200 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 81 3.615 -6.274 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.036 -4.045 -9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.354 -4.531 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 81 2.081 -3.015 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.596 -4.104 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.083 -4.130 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.647 -5.601 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.026 -4.133 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.231 -5.626 -6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.150 -4.165 -6.690 1.00 0.00 H new ATOM 1239 N VAL A 82 1.820 -7.616 -7.073 1.00 0.00 N ATOM 1240 CA VAL A 82 0.861 -8.544 -6.479 1.00 0.00 C ATOM 1241 C VAL A 82 0.793 -8.376 -4.958 1.00 0.00 C ATOM 1242 O VAL A 82 1.710 -8.766 -4.235 1.00 0.00 O ATOM 1243 CB VAL A 82 1.202 -10.019 -6.845 1.00 0.00 C ATOM 1244 CG1 VAL A 82 2.658 -10.353 -6.511 1.00 0.00 C ATOM 1245 CG2 VAL A 82 0.248 -10.991 -6.149 1.00 0.00 C ATOM 0 H VAL A 82 2.635 -7.425 -6.491 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.119 -8.306 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 82 1.073 -10.130 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.864 -11.389 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.320 -9.695 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.828 -10.213 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.508 -12.014 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.331 -10.871 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.776 -10.782 -6.460 1.00 0.00 H new ATOM 1255 N TYR A 83 -0.294 -7.770 -4.483 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.535 -7.610 -3.049 1.00 0.00 C ATOM 1257 C TYR A 83 -1.286 -8.821 -2.502 1.00 0.00 C ATOM 1258 O TYR A 83 -2.038 -9.480 -3.225 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.341 -6.329 -2.767 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.504 -5.082 -2.521 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.573 -4.759 -3.336 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.802 -4.227 -1.464 1.00 0.00 C ATOM 1263 CE1 TYR A 83 1.327 -3.623 -3.105 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -0.053 -3.091 -1.229 1.00 0.00 C ATOM 1265 CZ TYR A 83 1.010 -2.795 -2.051 1.00 0.00 C ATOM 1266 OH TYR A 83 1.757 -1.663 -1.820 1.00 0.00 O ATOM 0 H TYR A 83 -1.027 -7.379 -5.075 1.00 0.00 H new ATOM 0 HA TYR A 83 0.431 -7.530 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.004 -6.142 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.974 -6.501 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.826 -5.405 -4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.635 -4.456 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.161 -3.386 -3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.300 -2.439 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 83 1.401 -1.190 -1.039 1.00 0.00 H new ATOM 1276 N THR A 84 -1.063 -9.118 -1.228 1.00 0.00 N ATOM 1277 CA THR A 84 -1.740 -10.211 -0.540 1.00 0.00 C ATOM 1278 C THR A 84 -1.874 -9.885 0.949 1.00 0.00 C ATOM 1279 O THR A 84 -0.872 -9.660 1.633 1.00 0.00 O ATOM 1280 CB THR A 84 -0.964 -11.542 -0.699 1.00 0.00 C ATOM 1281 OG1 THR A 84 -0.792 -11.858 -2.092 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.689 -12.691 0.000 1.00 0.00 C ATOM 0 H THR A 84 -0.405 -8.606 -0.640 1.00 0.00 H new ATOM 0 HA THR A 84 -2.727 -10.327 -0.988 1.00 0.00 H new ATOM 0 HB THR A 84 0.013 -11.414 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.299 -12.700 -2.178 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.120 -13.612 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.783 -12.469 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.681 -12.813 -0.435 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.105 -9.831 1.446 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.338 -9.577 2.862 1.00 0.00 C ATOM 1292 C LYS A 85 -3.394 -10.895 3.626 1.00 0.00 C ATOM 1293 O LYS A 85 -4.330 -11.682 3.456 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.631 -8.775 3.082 1.00 0.00 C ATOM 1295 CG LYS A 85 -4.839 -8.379 4.542 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.021 -7.433 4.756 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.371 -8.097 4.500 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.688 -8.198 3.053 1.00 0.00 N ATOM 0 H LYS A 85 -3.952 -9.959 0.893 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.509 -8.979 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.605 -7.876 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.482 -9.367 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.993 -9.280 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.931 -7.903 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.996 -7.055 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.915 -6.572 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.371 -9.094 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.154 -7.528 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.684 -7.941 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.075 -7.550 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.527 -9.173 2.730 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.381 -11.137 4.450 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.300 -12.364 5.232 1.00 0.00 C ATOM 1314 C ALA A 86 -3.218 -12.272 6.447 1.00 0.00 C ATOM 1315 O ALA A 86 -4.036 -13.160 6.695 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.860 -12.627 5.665 1.00 0.00 C ATOM 0 H ALA A 86 -1.601 -10.496 4.594 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.627 -13.198 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.818 -13.547 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.227 -12.727 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.505 -11.795 6.274 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.087 -11.173 7.179 1.00 0.00 N ATOM 1323 CA ASN A 87 -3.891 -10.919 8.373 1.00 0.00 C ATOM 1324 C ASN A 87 -4.684 -9.633 8.173 1.00 0.00 C ATOM 1325 O ASN A 87 -4.251 -8.765 7.422 1.00 0.00 O ATOM 1326 CB ASN A 87 -2.990 -10.806 9.616 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.293 -12.113 9.959 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -2.828 -13.199 9.733 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -1.089 -12.017 10.504 1.00 0.00 N ATOM 0 H ASN A 87 -2.421 -10.431 6.964 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.579 -11.750 8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.240 -10.033 9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.591 -10.486 10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.572 -12.861 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.679 -11.099 10.676 1.00 0.00 H new ATOM 1336 N PRO A 88 -5.844 -9.481 8.841 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.726 -8.316 8.661 1.00 0.00 C ATOM 1338 C PRO A 88 -5.973 -6.981 8.732 1.00 0.00 C ATOM 1339 O PRO A 88 -6.317 -6.026 8.029 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.740 -8.436 9.821 1.00 0.00 C ATOM 1341 CG PRO A 88 -7.211 -9.520 10.710 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.399 -10.423 9.825 1.00 0.00 C ATOM 0 HA PRO A 88 -7.191 -8.317 7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.829 -7.494 10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.734 -8.685 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.598 -9.104 11.510 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.025 -10.068 11.184 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -5.616 -10.940 10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.013 -11.189 9.353 1.00 0.00 H new ATOM 1350 N THR A 89 -4.933 -6.933 9.564 1.00 0.00 N ATOM 1351 CA THR A 89 -4.168 -5.707 9.787 1.00 0.00 C ATOM 1352 C THR A 89 -2.742 -5.826 9.228 1.00 0.00 C ATOM 1353 O THR A 89 -1.879 -4.992 9.519 1.00 0.00 O ATOM 1354 CB THR A 89 -4.115 -5.370 11.301 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.528 -4.074 11.514 1.00 0.00 O ATOM 1356 CG2 THR A 89 -3.325 -6.424 12.075 1.00 0.00 C ATOM 0 H THR A 89 -4.599 -7.735 10.098 1.00 0.00 H new ATOM 0 HA THR A 89 -4.675 -4.901 9.257 1.00 0.00 H new ATOM 0 HB THR A 89 -5.141 -5.363 11.670 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.759 -3.961 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.306 -6.160 13.132 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.800 -7.397 11.952 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.305 -6.467 11.693 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.501 -6.846 8.404 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.170 -7.084 7.840 1.00 0.00 C ATOM 1366 C PHE A 90 -1.250 -7.494 6.368 1.00 0.00 C ATOM 1367 O PHE A 90 -1.843 -8.522 6.021 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.418 -8.157 8.642 1.00 0.00 C ATOM 1369 CG PHE A 90 0.929 -8.503 8.056 1.00 0.00 C ATOM 1370 CD1 PHE A 90 2.027 -7.677 8.262 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.093 -9.646 7.284 1.00 0.00 C ATOM 1372 CE1 PHE A 90 3.255 -7.984 7.710 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.320 -9.957 6.734 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.401 -9.125 6.946 1.00 0.00 C ATOM 0 H PHE A 90 -3.208 -7.520 8.112 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.620 -6.145 7.904 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.283 -7.808 9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.028 -9.059 8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.919 -6.785 8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.250 -10.299 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.100 -7.332 7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.434 -10.851 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.361 -9.367 6.514 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.626 -6.689 5.519 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.568 -6.937 4.083 1.00 0.00 C ATOM 1386 C HIS A 91 0.888 -7.165 3.678 1.00 0.00 C ATOM 1387 O HIS A 91 1.803 -6.746 4.392 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.146 -5.726 3.328 1.00 0.00 C ATOM 1389 CG HIS A 91 -1.901 -6.062 2.073 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.268 -5.917 1.946 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.466 -6.522 0.871 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.608 -6.284 0.707 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.556 -6.660 0.016 1.00 0.00 N ATOM 0 H HIS A 91 -0.142 -5.839 5.808 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.156 -7.820 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.810 -5.182 3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.328 -5.052 3.073 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -3.906 -5.588 2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.440 -6.745 0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.617 -6.273 0.323 1.00 0.00 H new ATOM 1401 N HIS A 92 1.101 -7.832 2.555 1.00 0.00 N ATOM 1402 CA HIS A 92 2.443 -8.024 2.014 1.00 0.00 C ATOM 1403 C HIS A 92 2.372 -8.244 0.510 1.00 0.00 C ATOM 1404 O HIS A 92 1.335 -8.644 -0.018 1.00 0.00 O ATOM 1405 CB HIS A 92 3.153 -9.213 2.684 1.00 0.00 C ATOM 1406 CG HIS A 92 2.464 -10.532 2.480 1.00 0.00 C ATOM 1407 ND1 HIS A 92 2.758 -11.403 1.452 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.483 -11.129 3.205 1.00 0.00 C ATOM 1409 CE1 HIS A 92 1.966 -12.475 1.582 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.174 -12.360 2.630 1.00 0.00 N ATOM 0 H HIS A 92 0.359 -8.253 1.996 1.00 0.00 H new ATOM 0 HA HIS A 92 3.021 -7.124 2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.169 -9.282 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.233 -9.019 3.754 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.455 -11.257 0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.017 -10.715 4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.975 -13.324 0.915 1.00 0.00 H new ATOM 1418 N TRP A 93 3.474 -7.978 -0.171 1.00 0.00 N ATOM 1419 CA TRP A 93 3.571 -8.210 -1.604 1.00 0.00 C ATOM 1420 C TRP A 93 4.975 -8.681 -1.949 1.00 0.00 C ATOM 1421 O TRP A 93 5.847 -8.715 -1.084 1.00 0.00 O ATOM 1422 CB TRP A 93 3.210 -6.938 -2.390 1.00 0.00 C ATOM 1423 CG TRP A 93 4.177 -5.801 -2.226 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.214 -5.485 -3.057 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.191 -4.819 -1.180 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.869 -4.374 -2.594 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.261 -3.945 -1.444 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.401 -4.594 -0.049 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.565 -2.865 -0.618 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.703 -3.522 0.770 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.776 -2.668 0.481 1.00 0.00 C ATOM 0 H TRP A 93 4.322 -7.598 0.250 1.00 0.00 H new ATOM 0 HA TRP A 93 2.859 -8.985 -1.887 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.142 -7.189 -3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.221 -6.603 -2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.479 -6.032 -3.950 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.679 -3.937 -3.035 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.571 -5.245 0.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.393 -2.208 -0.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.101 -3.339 1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.984 -1.838 1.140 1.00 0.00 H new ATOM 1442 N LYS A 94 5.189 -9.048 -3.201 1.00 0.00 N ATOM 1443 CA LYS A 94 6.496 -9.509 -3.655 1.00 0.00 C ATOM 1444 C LYS A 94 6.750 -9.036 -5.076 1.00 0.00 C ATOM 1445 O LYS A 94 5.807 -8.769 -5.823 1.00 0.00 O ATOM 1446 CB LYS A 94 6.583 -11.041 -3.592 1.00 0.00 C ATOM 1447 CG LYS A 94 5.537 -11.752 -4.448 1.00 0.00 C ATOM 1448 CD LYS A 94 5.754 -13.263 -4.469 1.00 0.00 C ATOM 1449 CE LYS A 94 4.671 -13.985 -5.264 1.00 0.00 C ATOM 1450 NZ LYS A 94 4.923 -15.449 -5.336 1.00 0.00 N ATOM 0 H LYS A 94 4.472 -9.036 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 94 7.256 -9.091 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.576 -11.353 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.469 -11.360 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.541 -11.533 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.576 -11.365 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.730 -13.483 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.767 -13.642 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.700 -13.805 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.625 -13.574 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.166 -15.905 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.838 -15.621 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.942 -15.846 -4.375 1.00 0.00 H new ATOM 1464 N VAL A 95 8.023 -8.928 -5.443 1.00 0.00 N ATOM 1465 CA VAL A 95 8.395 -8.545 -6.807 1.00 0.00 C ATOM 1466 C VAL A 95 9.491 -9.464 -7.353 1.00 0.00 C ATOM 1467 O VAL A 95 9.265 -10.209 -8.307 1.00 0.00 O ATOM 1468 CB VAL A 95 8.835 -7.054 -6.910 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.626 -6.126 -6.792 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.876 -6.703 -5.846 1.00 0.00 C ATOM 0 H VAL A 95 8.813 -9.099 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 95 7.500 -8.660 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 95 9.293 -6.913 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.954 -5.089 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.922 -6.342 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.139 -6.284 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.161 -5.656 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.454 -6.871 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.756 -7.332 -5.977 1.00 0.00 H new ATOM 1480 N ASP A 96 10.664 -9.436 -6.729 1.00 0.00 N ATOM 1481 CA ASP A 96 11.789 -10.257 -7.165 1.00 0.00 C ATOM 1482 C ASP A 96 12.136 -11.271 -6.085 1.00 0.00 C ATOM 1483 O ASP A 96 13.136 -11.126 -5.379 1.00 0.00 O ATOM 1484 CB ASP A 96 13.013 -9.385 -7.502 1.00 0.00 C ATOM 1485 CG ASP A 96 12.777 -8.480 -8.704 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.876 -8.972 -9.850 1.00 0.00 O ATOM 1487 OD2 ASP A 96 12.497 -7.274 -8.510 1.00 0.00 O ATOM 0 H ASP A 96 10.861 -8.851 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 96 11.500 -10.788 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.268 -8.773 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.870 -10.029 -7.700 1.00 0.00 H new ATOM 1492 N ASN A 97 11.260 -12.266 -5.933 1.00 0.00 N ATOM 1493 CA ASN A 97 11.429 -13.357 -4.962 1.00 0.00 C ATOM 1494 C ASN A 97 11.165 -12.897 -3.524 1.00 0.00 C ATOM 1495 O ASN A 97 10.550 -13.626 -2.743 1.00 0.00 O ATOM 1496 CB ASN A 97 12.822 -14.008 -5.072 1.00 0.00 C ATOM 1497 CG ASN A 97 13.033 -14.725 -6.398 1.00 0.00 C ATOM 1498 OD1 ASN A 97 13.490 -14.132 -7.378 1.00 0.00 O ATOM 1499 ND2 ASN A 97 12.704 -16.007 -6.439 1.00 0.00 N ATOM 0 H ASN A 97 10.405 -12.341 -6.484 1.00 0.00 H new ATOM 0 HA ASN A 97 10.681 -14.109 -5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.587 -13.241 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.952 -14.718 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.826 -16.537 -7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.329 -16.464 -5.608 1.00 0.00 H new ATOM 1506 N ARG A 98 11.609 -11.692 -3.176 1.00 0.00 N ATOM 1507 CA ARG A 98 11.485 -11.194 -1.813 1.00 0.00 C ATOM 1508 C ARG A 98 10.137 -10.503 -1.592 1.00 0.00 C ATOM 1509 O ARG A 98 9.561 -9.911 -2.520 1.00 0.00 O ATOM 1510 CB ARG A 98 12.639 -10.233 -1.502 1.00 0.00 C ATOM 1511 CG ARG A 98 12.664 -9.739 -0.059 1.00 0.00 C ATOM 1512 CD ARG A 98 13.854 -8.829 0.197 1.00 0.00 C ATOM 1513 NE ARG A 98 13.870 -8.301 1.561 1.00 0.00 N ATOM 1514 CZ ARG A 98 14.455 -7.155 1.906 1.00 0.00 C ATOM 1515 NH1 ARG A 98 15.034 -6.401 0.979 1.00 0.00 N ATOM 1516 NH2 ARG A 98 14.445 -6.763 3.174 1.00 0.00 N ATOM 0 H ARG A 98 12.058 -11.043 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 98 11.535 -12.044 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.583 -10.732 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.572 -9.373 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.741 -9.202 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.705 -10.592 0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.776 -9.381 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.832 -8.000 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 98 13.406 -8.842 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.031 -6.699 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.482 -5.523 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.990 -7.339 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.892 -5.886 3.440 1.00 0.00 H new ATOM 1530 N LYS A 99 9.652 -10.598 -0.352 1.00 0.00 N ATOM 1531 CA LYS A 99 8.390 -9.986 0.062 1.00 0.00 C ATOM 1532 C LYS A 99 8.641 -8.681 0.820 1.00 0.00 C ATOM 1533 O LYS A 99 9.610 -8.569 1.577 1.00 0.00 O ATOM 1534 CB LYS A 99 7.605 -10.948 0.971 1.00 0.00 C ATOM 1535 CG LYS A 99 6.958 -12.126 0.252 1.00 0.00 C ATOM 1536 CD LYS A 99 6.252 -13.064 1.233 1.00 0.00 C ATOM 1537 CE LYS A 99 5.498 -14.186 0.522 1.00 0.00 C ATOM 1538 NZ LYS A 99 6.411 -15.139 -0.169 1.00 0.00 N ATOM 0 H LYS A 99 10.127 -11.104 0.396 1.00 0.00 H new ATOM 0 HA LYS A 99 7.811 -9.773 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.279 -11.334 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.827 -10.384 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.240 -11.757 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.719 -12.680 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.987 -13.497 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.554 -12.490 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.893 -14.729 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.811 -13.754 -0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.850 -15.881 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.971 -14.629 -0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.050 -15.574 0.527 1.00 0.00 H new ATOM 1552 N PHE A 100 7.762 -7.703 0.608 1.00 0.00 N ATOM 1553 CA PHE A 100 7.761 -6.458 1.379 1.00 0.00 C ATOM 1554 C PHE A 100 6.418 -6.348 2.108 1.00 0.00 C ATOM 1555 O PHE A 100 5.389 -6.760 1.569 1.00 0.00 O ATOM 1556 CB PHE A 100 7.977 -5.240 0.465 1.00 0.00 C ATOM 1557 CG PHE A 100 9.099 -5.401 -0.538 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.296 -6.019 -0.189 1.00 0.00 C ATOM 1559 CD2 PHE A 100 8.952 -4.933 -1.837 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.312 -6.169 -1.117 1.00 0.00 C ATOM 1561 CE2 PHE A 100 9.966 -5.079 -2.762 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.146 -5.696 -2.402 1.00 0.00 C ATOM 0 H PHE A 100 7.031 -7.750 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 100 8.580 -6.473 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.051 -5.037 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 100 8.183 -4.368 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.434 -6.386 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.032 -4.448 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.234 -6.656 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 100 9.835 -4.710 -3.769 1.00 0.00 H new ATOM 0 HZ PHE A 100 11.940 -5.809 -3.126 1.00 0.00 H new ATOM 1572 N GLY A 101 6.424 -5.811 3.326 1.00 0.00 N ATOM 1573 CA GLY A 101 5.232 -5.851 4.167 1.00 0.00 C ATOM 1574 C GLY A 101 4.616 -4.490 4.424 1.00 0.00 C ATOM 1575 O GLY A 101 5.260 -3.455 4.238 1.00 0.00 O ATOM 0 H GLY A 101 7.230 -5.349 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.488 -6.493 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.488 -6.309 5.122 1.00 0.00 H new ATOM 1579 N LEU A 102 3.363 -4.503 4.874 1.00 0.00 N ATOM 1580 CA LEU A 102 2.618 -3.285 5.172 1.00 0.00 C ATOM 1581 C LEU A 102 1.596 -3.549 6.280 1.00 0.00 C ATOM 1582 O LEU A 102 0.588 -4.223 6.062 1.00 0.00 O ATOM 1583 CB LEU A 102 1.909 -2.777 3.908 1.00 0.00 C ATOM 1584 CG LEU A 102 1.066 -1.501 4.085 1.00 0.00 C ATOM 1585 CD1 LEU A 102 1.928 -0.347 4.588 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.367 -1.129 2.777 1.00 0.00 C ATOM 0 H LEU A 102 2.836 -5.360 5.042 1.00 0.00 H new ATOM 0 HA LEU A 102 3.316 -2.521 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.661 -2.590 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.261 -3.570 3.533 1.00 0.00 H new ATOM 0 HG LEU A 102 0.300 -1.701 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.311 0.544 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.368 -0.613 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.722 -0.146 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.223 -0.225 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.114 -0.953 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.288 -1.944 2.470 1.00 0.00 H new ATOM 1598 N THR A 103 1.876 -3.038 7.470 1.00 0.00 N ATOM 1599 CA THR A 103 0.973 -3.175 8.606 1.00 0.00 C ATOM 1600 C THR A 103 -0.021 -2.010 8.639 1.00 0.00 C ATOM 1601 O THR A 103 0.375 -0.840 8.629 1.00 0.00 O ATOM 1602 CB THR A 103 1.760 -3.229 9.934 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.730 -4.285 9.873 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.827 -3.458 11.123 1.00 0.00 C ATOM 0 H THR A 103 2.730 -2.520 7.676 1.00 0.00 H new ATOM 0 HA THR A 103 0.425 -4.110 8.490 1.00 0.00 H new ATOM 0 HB THR A 103 2.260 -2.271 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.072 -4.467 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.411 -3.491 12.043 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.105 -2.644 11.181 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.299 -4.403 10.994 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.309 -2.341 8.661 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.368 -1.338 8.705 1.00 0.00 C ATOM 1614 C PHE A 104 -2.532 -0.798 10.121 1.00 0.00 C ATOM 1615 O PHE A 104 -2.098 -1.432 11.087 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.691 -1.943 8.231 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.631 -2.538 6.846 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.058 -1.835 5.799 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -4.169 -3.792 6.589 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.022 -2.369 4.526 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -4.133 -4.329 5.319 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.562 -3.615 4.286 1.00 0.00 C ATOM 0 H PHE A 104 -1.646 -3.304 8.649 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.091 -0.518 8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.998 -2.717 8.935 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.460 -1.171 8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.635 -0.858 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.621 -4.354 7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.571 -1.811 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.551 -5.307 5.134 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.538 -4.032 3.290 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.163 0.365 10.241 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.394 0.983 11.544 1.00 0.00 C ATOM 1634 C GLN A 105 -4.874 0.922 11.916 1.00 0.00 C ATOM 1635 O GLN A 105 -5.225 0.636 13.066 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.903 2.438 11.539 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.110 3.161 12.867 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.575 4.582 12.862 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -2.531 5.238 11.822 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -2.185 5.071 14.026 1.00 0.00 N ATOM 0 H GLN A 105 -3.524 0.900 9.451 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.830 0.427 12.293 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.842 2.453 11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.424 2.985 10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.174 3.181 13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.620 2.597 13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.238 4.494 14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.831 6.026 14.085 1.00 0.00 H new ATOM 1649 N SER A 106 -5.740 1.189 10.944 1.00 0.00 N ATOM 1650 CA SER A 106 -7.182 1.184 11.174 1.00 0.00 C ATOM 1651 C SER A 106 -7.909 0.567 9.973 1.00 0.00 C ATOM 1652 O SER A 106 -7.414 0.632 8.850 1.00 0.00 O ATOM 1653 CB SER A 106 -7.670 2.618 11.420 1.00 0.00 C ATOM 1654 OG SER A 106 -6.879 3.273 12.404 1.00 0.00 O ATOM 0 H SER A 106 -5.468 1.412 9.987 1.00 0.00 H new ATOM 0 HA SER A 106 -7.402 0.580 12.054 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.634 3.181 10.488 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.711 2.600 11.741 1.00 0.00 H new ATOM 0 HG SER A 106 -7.213 4.185 12.538 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.092 -0.049 10.196 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.876 -0.692 9.126 1.00 0.00 C ATOM 1662 C PRO A 107 -10.092 0.214 7.907 1.00 0.00 C ATOM 1663 O PRO A 107 -10.203 -0.269 6.776 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.214 -1.005 9.811 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.865 -1.167 11.251 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.752 -0.186 11.513 1.00 0.00 C ATOM 0 HA PRO A 107 -9.365 -1.567 8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.933 -0.199 9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.665 -1.912 9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.726 -0.962 11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.546 -2.187 11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.136 0.770 11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.062 -0.556 12.271 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.148 1.524 8.149 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.346 2.503 7.082 1.00 0.00 C ATOM 1676 C ALA A 108 -9.186 2.471 6.088 1.00 0.00 C ATOM 1677 O ALA A 108 -9.366 2.124 4.917 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.509 3.902 7.667 1.00 0.00 C ATOM 0 H ALA A 108 -10.058 1.932 9.079 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.258 2.241 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.656 4.619 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.374 3.921 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.614 4.167 8.230 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.991 2.821 6.569 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.788 2.820 5.733 1.00 0.00 C ATOM 1686 C ASP A 109 -6.481 1.409 5.248 1.00 0.00 C ATOM 1687 O ASP A 109 -6.009 1.216 4.127 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.579 3.406 6.489 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.397 2.813 7.883 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -6.000 3.357 8.835 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.663 1.812 8.036 1.00 0.00 O ATOM 0 H ASP A 109 -7.830 3.109 7.534 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.980 3.455 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.675 3.231 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.700 4.486 6.574 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.783 0.429 6.093 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.596 -0.976 5.758 1.00 0.00 C ATOM 1698 C ALA A 110 -7.319 -1.333 4.457 1.00 0.00 C ATOM 1699 O ALA A 110 -6.686 -1.675 3.453 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.082 -1.850 6.909 1.00 0.00 C ATOM 0 H ALA A 110 -7.163 0.587 7.026 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.533 -1.159 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.940 -2.900 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.514 -1.615 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.140 -1.660 7.088 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.648 -1.225 4.470 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.454 -1.532 3.289 1.00 0.00 C ATOM 1708 C ARG A 111 -9.167 -0.541 2.165 1.00 0.00 C ATOM 1709 O ARG A 111 -9.374 -0.854 0.991 1.00 0.00 O ATOM 1710 CB ARG A 111 -10.955 -1.545 3.628 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.525 -2.931 3.948 1.00 0.00 C ATOM 1712 CD ARG A 111 -10.951 -3.537 5.226 1.00 0.00 C ATOM 1713 NE ARG A 111 -9.570 -4.009 5.072 1.00 0.00 N ATOM 1714 CZ ARG A 111 -8.836 -4.500 6.070 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -9.357 -4.628 7.287 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -7.583 -4.866 5.846 1.00 0.00 N ATOM 0 H ARG A 111 -9.188 -0.928 5.283 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.177 -2.530 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.127 -0.890 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.507 -1.125 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.608 -2.858 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -11.323 -3.602 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.987 -2.793 6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -11.580 -4.370 5.540 1.00 0.00 H new ATOM 0 HE ARG A 111 -9.147 -3.958 4.145 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -10.323 -4.350 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -8.791 -5.004 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.183 -4.772 4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.018 -5.242 6.607 1.00 0.00 H new ATOM 1730 N ALA A 112 -8.696 0.651 2.526 1.00 0.00 N ATOM 1731 CA ALA A 112 -8.288 1.637 1.532 1.00 0.00 C ATOM 1732 C ALA A 112 -7.130 1.092 0.697 1.00 0.00 C ATOM 1733 O ALA A 112 -7.092 1.275 -0.521 1.00 0.00 O ATOM 1734 CB ALA A 112 -7.905 2.955 2.198 1.00 0.00 C ATOM 0 H ALA A 112 -8.588 0.955 3.494 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.132 1.832 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.604 3.674 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.760 3.346 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.076 2.788 2.886 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.195 0.409 1.360 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.081 -0.236 0.669 1.00 0.00 C ATOM 1742 C PHE A 113 -5.569 -1.446 -0.123 1.00 0.00 C ATOM 1743 O PHE A 113 -5.232 -1.594 -1.295 1.00 0.00 O ATOM 1744 CB PHE A 113 -3.984 -0.666 1.655 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.121 0.468 2.151 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.236 1.105 1.292 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -3.182 0.887 3.473 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.435 2.136 1.741 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -2.380 1.915 3.925 1.00 0.00 C ATOM 1750 CZ PHE A 113 -1.506 2.539 3.059 1.00 0.00 C ATOM 0 H PHE A 113 -6.188 0.289 2.373 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.655 0.494 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.451 -1.154 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.348 -1.408 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.173 0.791 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.865 0.403 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.754 2.627 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.437 2.231 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.877 3.343 3.412 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.366 -2.304 0.523 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.920 -3.495 -0.137 1.00 0.00 C ATOM 1762 C ASP A 114 -7.647 -3.102 -1.429 1.00 0.00 C ATOM 1763 O ASP A 114 -7.212 -3.432 -2.539 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.899 -4.243 0.794 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.220 -4.954 1.962 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.583 -6.006 1.732 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -7.351 -4.488 3.114 1.00 0.00 O ATOM 0 H ASP A 114 -6.642 -2.198 1.499 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.088 -4.157 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.626 -3.532 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.454 -4.976 0.208 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.741 -2.369 -1.266 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.575 -1.945 -2.386 1.00 0.00 C ATOM 1774 C ARG A 115 -8.801 -1.018 -3.321 1.00 0.00 C ATOM 1775 O ARG A 115 -8.961 -1.082 -4.545 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.841 -1.252 -1.860 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.766 -2.189 -1.084 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.859 -1.434 -0.333 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.619 -0.533 -1.205 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.947 -0.411 -1.191 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -15.691 -1.217 -0.443 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.531 0.500 -1.957 1.00 0.00 N ATOM 0 H ARG A 115 -9.076 -2.052 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.867 -2.826 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.551 -0.423 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.389 -0.826 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.225 -2.896 -1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.178 -2.772 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.540 -2.150 0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.409 -0.858 0.475 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.096 0.040 -1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -15.248 -1.937 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -16.706 -1.116 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -14.965 1.104 -2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.546 0.597 -1.950 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.950 -0.175 -2.738 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.156 0.755 -3.519 1.00 0.00 C ATOM 1798 C GLY A 116 -6.242 0.055 -4.505 1.00 0.00 C ATOM 1799 O GLY A 116 -6.284 0.338 -5.704 1.00 0.00 O ATOM 0 H GLY A 116 -7.797 -0.121 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.820 1.429 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.557 1.369 -2.847 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.429 -0.878 -4.009 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.476 -1.588 -4.858 1.00 0.00 C ATOM 1805 C VAL A 117 -5.211 -2.464 -5.871 1.00 0.00 C ATOM 1806 O VAL A 117 -4.782 -2.590 -7.017 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.475 -2.448 -4.039 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.172 -3.619 -3.345 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.337 -2.944 -4.931 1.00 0.00 C ATOM 0 H VAL A 117 -5.412 -1.158 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.897 -0.830 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.053 -1.812 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.439 -4.197 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.933 -3.238 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.641 -4.258 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.646 -3.545 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.746 -3.551 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.806 -2.090 -5.352 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.330 -3.052 -5.447 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.143 -3.874 -6.341 1.00 0.00 C ATOM 1821 C ARG A 118 -7.658 -3.056 -7.524 1.00 0.00 C ATOM 1822 O ARG A 118 -7.635 -3.520 -8.667 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.310 -4.514 -5.580 1.00 0.00 C ATOM 1824 CG ARG A 118 -7.878 -5.635 -4.640 1.00 0.00 C ATOM 1825 CD ARG A 118 -9.055 -6.222 -3.873 1.00 0.00 C ATOM 1826 NE ARG A 118 -8.673 -7.423 -3.128 1.00 0.00 N ATOM 1827 CZ ARG A 118 -9.537 -8.231 -2.515 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -10.836 -7.957 -2.524 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -9.098 -9.325 -1.905 1.00 0.00 N ATOM 0 H ARG A 118 -6.692 -2.975 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.509 -4.670 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.824 -3.745 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.029 -4.909 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.391 -6.423 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.140 -5.253 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.448 -5.475 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.857 -6.466 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.681 -7.656 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -11.178 -7.124 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -11.492 -8.580 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.102 -9.545 -1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.757 -9.946 -1.435 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.111 -1.831 -7.257 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.590 -0.951 -8.319 1.00 0.00 C ATOM 1845 C LYS A 119 -7.422 -0.354 -9.102 1.00 0.00 C ATOM 1846 O LYS A 119 -7.558 -0.027 -10.282 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.496 0.155 -7.759 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.860 -0.354 -7.286 1.00 0.00 C ATOM 1849 CD LYS A 119 -11.565 -1.170 -8.374 1.00 0.00 C ATOM 1850 CE LYS A 119 -12.987 -1.554 -7.979 1.00 0.00 C ATOM 1851 NZ LYS A 119 -13.886 -0.372 -7.911 1.00 0.00 N ATOM 0 H LYS A 119 -8.156 -1.429 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.185 -1.553 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.989 0.641 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -9.647 0.914 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.731 -0.969 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -11.486 0.492 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.590 -0.593 -9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.990 -2.073 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.383 -2.269 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.972 -2.054 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.871 -0.690 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.625 0.216 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.793 0.186 -8.784 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.275 -0.219 -8.445 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.061 0.232 -9.117 1.00 0.00 C ATOM 1867 C ALA A 120 -4.656 -0.782 -10.184 1.00 0.00 C ATOM 1868 O ALA A 120 -4.406 -0.426 -11.336 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.934 0.438 -8.108 1.00 0.00 C ATOM 0 H ALA A 120 -6.160 -0.415 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.257 1.190 -9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.037 0.774 -8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.233 1.189 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.726 -0.502 -7.597 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.629 -2.054 -9.787 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.325 -3.150 -10.701 1.00 0.00 C ATOM 1877 C ILE A 121 -5.435 -3.293 -11.740 1.00 0.00 C ATOM 1878 O ILE A 121 -5.175 -3.591 -12.905 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.146 -4.491 -9.937 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -2.972 -4.396 -8.948 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -3.943 -5.657 -10.906 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -1.638 -4.086 -9.601 1.00 0.00 C ATOM 0 H ILE A 121 -4.816 -2.350 -8.829 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.386 -2.915 -11.202 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.059 -4.681 -9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.193 -3.623 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.889 -5.338 -8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.821 -6.582 -10.342 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.811 -5.743 -11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.052 -5.479 -11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -0.862 -4.036 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.392 -4.870 -10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.700 -3.129 -10.119 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.672 -3.054 -11.304 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.837 -3.113 -12.185 1.00 0.00 C ATOM 1896 C GLU A 122 -7.635 -2.197 -13.391 1.00 0.00 C ATOM 1897 O GLU A 122 -7.688 -2.638 -14.540 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.100 -2.694 -11.415 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.400 -2.895 -12.185 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.727 -4.362 -12.414 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.208 -5.020 -11.470 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -10.504 -4.865 -13.535 1.00 0.00 O ATOM 0 H GLU A 122 -6.893 -2.816 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.958 -4.137 -12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.150 -3.262 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.012 -1.643 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -11.218 -2.426 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.329 -2.388 -13.148 1.00 0.00 H new ATOM 1909 N ASP A 123 -7.386 -0.917 -13.117 1.00 0.00 N ATOM 1910 CA ASP A 123 -7.160 0.064 -14.177 1.00 0.00 C ATOM 1911 C ASP A 123 -5.824 -0.179 -14.868 1.00 0.00 C ATOM 1912 O ASP A 123 -5.673 0.123 -16.046 1.00 0.00 O ATOM 1913 CB ASP A 123 -7.225 1.501 -13.635 1.00 0.00 C ATOM 1914 CG ASP A 123 -8.651 1.959 -13.367 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -9.432 2.075 -14.336 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -9.006 2.197 -12.194 1.00 0.00 O ATOM 0 H ASP A 123 -7.336 -0.536 -12.172 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.958 -0.058 -14.909 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.647 1.565 -12.713 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.758 2.177 -14.351 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.858 -0.726 -14.135 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.554 -1.059 -14.710 1.00 0.00 C ATOM 1923 C LEU A 124 -3.738 -2.059 -15.854 1.00 0.00 C ATOM 1924 O LEU A 124 -3.136 -1.920 -16.922 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.624 -1.626 -13.615 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.121 -1.732 -13.963 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.293 -1.912 -12.693 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.847 -2.885 -14.931 1.00 0.00 C ATOM 0 H LEU A 124 -4.951 -0.948 -13.144 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.090 -0.159 -15.112 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.724 -1.001 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.982 -2.620 -13.347 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.831 -0.803 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.763 -1.985 -12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.446 -1.057 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.604 -2.823 -12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.219 -2.928 -15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.162 -3.824 -14.476 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.403 -2.725 -15.855 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.586 -3.057 -15.622 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.887 -4.071 -16.629 1.00 0.00 C ATOM 1942 C ILE A 125 -5.863 -3.519 -17.670 1.00 0.00 C ATOM 1943 O ILE A 125 -5.832 -3.911 -18.843 1.00 0.00 O ATOM 1944 CB ILE A 125 -5.484 -5.350 -15.980 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.492 -5.947 -14.969 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -5.855 -6.383 -17.047 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -5.003 -7.186 -14.259 1.00 0.00 C ATOM 0 H ILE A 125 -5.080 -3.186 -14.739 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.950 -4.337 -17.119 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.396 -5.072 -15.451 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.566 -6.194 -15.488 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.248 -5.189 -14.225 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.271 -7.269 -16.567 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.595 -5.957 -17.725 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.964 -6.660 -17.611 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.245 -7.545 -13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.912 -6.942 -13.710 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.220 -7.962 -14.993 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.727 -2.606 -17.236 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.700 -1.982 -18.124 1.00 0.00 C ATOM 1961 C GLU A 126 -7.125 -0.675 -18.690 1.00 0.00 C ATOM 1962 O GLU A 126 -6.246 -0.746 -19.575 1.00 0.00 O ATOM 1963 CB GLU A 126 -9.018 -1.730 -17.364 1.00 0.00 C ATOM 1964 CG GLU A 126 -10.199 -1.366 -18.261 1.00 0.00 C ATOM 1965 CD GLU A 126 -10.594 -2.496 -19.197 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -11.422 -3.345 -18.797 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -10.078 -2.550 -20.334 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.534 0.419 -18.246 1.00 0.00 O ATOM 0 H GLU A 126 -6.772 -2.281 -16.270 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.913 -2.649 -18.959 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.272 -2.623 -16.793 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.861 -0.926 -16.645 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.054 -1.099 -17.639 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.945 -0.484 -18.849 1.00 0.00 H new