USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 638 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 Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.926 X(o=-0.93,f=-1.3) USER MOD Single : A 52 SER OG : rot -17:sc= 0.139 USER MOD Single : A 62 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.73) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc=-0.00423 (180deg=-0.0665) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.147 K(o=-0.15,f=-8.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -64:sc= 1.31 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 1.92 K(o=1.9,f=-9.5!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.195 USER MOD Single : A 97 GLN : amide:sc= 0.762 K(o=0.76,f=-4.1!) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.296 (180deg=-0.856) USER MOD Single : A 102 MET CE :methyl -155:sc= -0.0561 (180deg=-0.378) USER MOD Single : A 107 SER OG : rot 95:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -5.515 5.644 -7.643 1.00 0.00 N ATOM 180 CA TYR A 16 -4.820 5.135 -8.824 1.00 0.00 C ATOM 181 C TYR A 16 -3.546 4.410 -8.392 1.00 0.00 C ATOM 182 O TYR A 16 -3.376 3.235 -8.706 1.00 0.00 O ATOM 183 CB TYR A 16 -4.559 6.260 -9.834 1.00 0.00 C ATOM 184 CG TYR A 16 -4.087 7.572 -9.236 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.032 8.498 -8.752 1.00 0.00 C ATOM 186 CD2 TYR A 16 -2.713 7.863 -9.158 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.600 9.715 -8.204 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.278 9.080 -8.606 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.226 10.034 -8.171 1.00 0.00 C ATOM 190 OH TYR A 16 -2.840 11.275 -7.764 1.00 0.00 O ATOM 0 HA TYR A 16 -5.450 4.411 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.812 5.917 -10.550 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.476 6.444 -10.393 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.087 8.271 -8.803 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.990 7.149 -9.524 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.323 10.411 -7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.222 9.286 -8.514 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.489 11.624 -7.118 1.00 0.00 H new ATOM 200 N ILE A 17 -2.724 5.101 -7.596 1.00 0.00 N ATOM 201 CA ILE A 17 -1.405 4.704 -7.112 1.00 0.00 C ATOM 202 C ILE A 17 -0.474 4.367 -8.290 1.00 0.00 C ATOM 203 O ILE A 17 -0.448 3.236 -8.767 1.00 0.00 O ATOM 204 CB ILE A 17 -1.480 3.632 -6.005 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.413 4.041 -4.840 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.055 3.376 -5.482 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.174 5.462 -4.309 1.00 0.00 C ATOM 0 H ILE A 17 -2.987 6.023 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.945 5.555 -6.609 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.905 2.725 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.448 3.959 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.284 3.333 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.086 2.620 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.575 3.025 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.356 4.301 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.869 5.668 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.151 5.546 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.332 6.182 -5.112 1.00 0.00 H new ATOM 219 N PRO A 18 0.279 5.370 -8.770 1.00 0.00 N ATOM 220 CA PRO A 18 0.896 5.362 -10.086 1.00 0.00 C ATOM 221 C PRO A 18 2.104 4.426 -10.135 1.00 0.00 C ATOM 222 O PRO A 18 3.194 4.761 -9.658 1.00 0.00 O ATOM 223 CB PRO A 18 1.234 6.833 -10.356 1.00 0.00 C ATOM 224 CG PRO A 18 1.500 7.402 -8.960 1.00 0.00 C ATOM 225 CD PRO A 18 0.544 6.628 -8.082 1.00 0.00 C ATOM 0 HA PRO A 18 0.242 4.968 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.106 6.932 -11.002 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.411 7.350 -10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.536 7.253 -8.656 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.306 8.474 -8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.979 6.449 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.379 7.187 -7.926 1.00 0.00 H new ATOM 233 N LEU A 19 1.909 3.229 -10.687 1.00 0.00 N ATOM 234 CA LEU A 19 2.920 2.177 -10.699 1.00 0.00 C ATOM 235 C LEU A 19 4.163 2.567 -11.493 1.00 0.00 C ATOM 236 O LEU A 19 5.236 2.048 -11.200 1.00 0.00 O ATOM 237 CB LEU A 19 2.337 0.854 -11.227 1.00 0.00 C ATOM 238 CG LEU A 19 1.299 0.211 -10.290 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.750 -1.092 -10.872 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.913 -0.135 -8.940 1.00 0.00 C ATOM 0 H LEU A 19 1.036 2.962 -11.142 1.00 0.00 H new ATOM 0 HA LEU A 19 3.231 2.035 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.874 1.034 -12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.152 0.148 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 19 0.502 0.945 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.020 -1.519 -10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.271 -0.889 -11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.567 -1.798 -11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.155 -0.587 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.734 -0.838 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.291 0.772 -8.469 1.00 0.00 H new ATOM 252 N ASP A 20 4.064 3.484 -12.456 1.00 0.00 N ATOM 253 CA ASP A 20 5.236 3.943 -13.206 1.00 0.00 C ATOM 254 C ASP A 20 6.019 4.975 -12.400 1.00 0.00 C ATOM 255 O ASP A 20 7.232 5.098 -12.548 1.00 0.00 O ATOM 256 CB ASP A 20 4.837 4.540 -14.557 1.00 0.00 C ATOM 257 CG ASP A 20 4.292 3.466 -15.488 1.00 0.00 C ATOM 258 OD1 ASP A 20 5.095 2.754 -16.125 1.00 0.00 O ATOM 259 OD2 ASP A 20 3.053 3.312 -15.587 1.00 0.00 O ATOM 0 H ASP A 20 3.187 3.923 -12.735 1.00 0.00 H new ATOM 0 HA ASP A 20 5.868 3.074 -13.387 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.084 5.314 -14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.701 5.020 -15.016 1.00 0.00 H new ATOM 264 N ARG A 21 5.363 5.741 -11.522 1.00 0.00 N ATOM 265 CA ARG A 21 6.035 6.671 -10.619 1.00 0.00 C ATOM 266 C ARG A 21 6.776 5.916 -9.523 1.00 0.00 C ATOM 267 O ARG A 21 7.829 6.382 -9.082 1.00 0.00 O ATOM 268 CB ARG A 21 4.977 7.586 -9.989 1.00 0.00 C ATOM 269 CG ARG A 21 4.774 8.941 -10.672 1.00 0.00 C ATOM 270 CD ARG A 21 5.733 9.973 -10.075 1.00 0.00 C ATOM 271 NE ARG A 21 5.290 11.353 -10.302 1.00 0.00 N ATOM 272 CZ ARG A 21 5.921 12.432 -9.820 1.00 0.00 C ATOM 273 NH1 ARG A 21 7.094 12.323 -9.196 1.00 0.00 N ATOM 274 NH2 ARG A 21 5.344 13.619 -9.945 1.00 0.00 N ATOM 0 H ARG A 21 4.348 5.731 -11.420 1.00 0.00 H new ATOM 0 HA ARG A 21 6.762 7.259 -11.180 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.024 7.057 -9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.250 7.762 -8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.948 8.848 -11.744 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.743 9.272 -10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.828 9.798 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.723 9.837 -10.510 1.00 0.00 H new ATOM 0 HE ARG A 21 4.450 11.500 -10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.526 11.407 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.559 13.156 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.435 13.699 -10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.809 14.452 -9.584 1.00 0.00 H new ATOM 288 N LEU A 22 6.190 4.854 -8.965 1.00 0.00 N ATOM 289 CA LEU A 22 6.771 4.107 -7.846 1.00 0.00 C ATOM 290 C LEU A 22 7.984 3.298 -8.319 1.00 0.00 C ATOM 291 O LEU A 22 8.260 3.191 -9.511 1.00 0.00 O ATOM 292 CB LEU A 22 5.745 3.135 -7.246 1.00 0.00 C ATOM 293 CG LEU A 22 4.411 3.706 -6.719 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.336 2.616 -6.669 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.574 4.317 -5.329 1.00 0.00 C ATOM 0 H LEU A 22 5.292 4.485 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 22 7.075 4.830 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.510 2.390 -8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.229 2.609 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 22 4.102 4.490 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.404 3.041 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.176 2.216 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.661 1.814 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.615 4.709 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.920 3.552 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.303 5.126 -5.371 1.00 0.00 H new ATOM 307 N SER A 23 8.637 2.629 -7.373 1.00 0.00 N ATOM 308 CA SER A 23 9.684 1.649 -7.596 1.00 0.00 C ATOM 309 C SER A 23 9.202 0.315 -7.026 1.00 0.00 C ATOM 310 O SER A 23 9.473 -0.020 -5.871 1.00 0.00 O ATOM 311 CB SER A 23 10.962 2.134 -6.921 1.00 0.00 C ATOM 312 OG SER A 23 11.601 3.132 -7.689 1.00 0.00 O ATOM 0 H SER A 23 8.437 2.766 -6.382 1.00 0.00 H new ATOM 0 HA SER A 23 9.901 1.517 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.727 2.528 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.641 1.294 -6.776 1.00 0.00 H new ATOM 0 HG SER A 23 12.416 3.425 -7.231 1.00 0.00 H new ATOM 318 N ILE A 24 8.440 -0.435 -7.821 1.00 0.00 N ATOM 319 CA ILE A 24 7.974 -1.774 -7.481 1.00 0.00 C ATOM 320 C ILE A 24 9.159 -2.700 -7.649 1.00 0.00 C ATOM 321 O ILE A 24 9.886 -2.606 -8.642 1.00 0.00 O ATOM 322 CB ILE A 24 6.810 -2.218 -8.400 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.553 -1.358 -8.189 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.440 -3.682 -8.144 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.569 -0.131 -9.087 1.00 0.00 C ATOM 0 H ILE A 24 8.124 -0.120 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 24 7.592 -1.795 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 24 7.160 -2.093 -9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.663 -1.952 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.492 -1.048 -7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.620 -3.970 -8.802 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.304 -4.316 -8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.132 -3.803 -7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.668 0.457 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.446 0.475 -8.860 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.604 -0.444 -10.130 1.00 0.00 H new ATOM 337 N SER A 25 9.323 -3.623 -6.716 1.00 0.00 N ATOM 338 CA SER A 25 10.297 -4.683 -6.866 1.00 0.00 C ATOM 339 C SER A 25 9.785 -5.960 -6.233 1.00 0.00 C ATOM 340 O SER A 25 9.553 -6.021 -5.031 1.00 0.00 O ATOM 341 CB SER A 25 11.642 -4.239 -6.305 1.00 0.00 C ATOM 342 OG SER A 25 12.644 -5.019 -6.912 1.00 0.00 O ATOM 0 H SER A 25 8.791 -3.657 -5.846 1.00 0.00 H new ATOM 0 HA SER A 25 10.449 -4.898 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.808 -3.181 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.664 -4.365 -5.223 1.00 0.00 H new ATOM 0 HG SER A 25 13.521 -4.750 -6.568 1.00 0.00 H new ATOM 348 N TYR A 26 9.589 -6.986 -7.054 1.00 0.00 N ATOM 349 CA TYR A 26 9.397 -8.339 -6.549 1.00 0.00 C ATOM 350 C TYR A 26 10.767 -8.890 -6.199 1.00 0.00 C ATOM 351 O TYR A 26 11.736 -8.577 -6.895 1.00 0.00 O ATOM 352 CB TYR A 26 8.662 -9.226 -7.562 1.00 0.00 C ATOM 353 CG TYR A 26 7.526 -8.510 -8.261 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.687 -7.635 -7.540 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.414 -8.600 -9.661 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.784 -6.820 -8.223 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.533 -7.753 -10.350 1.00 0.00 C ATOM 358 CZ TYR A 26 5.723 -6.843 -9.635 1.00 0.00 C ATOM 359 OH TYR A 26 4.947 -5.948 -10.294 1.00 0.00 O ATOM 0 H TYR A 26 9.559 -6.906 -8.070 1.00 0.00 H new ATOM 0 HA TYR A 26 8.763 -8.325 -5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.373 -9.582 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.270 -10.105 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.743 -7.596 -6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.006 -9.321 -10.205 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.127 -6.167 -7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.474 -7.797 -11.428 1.00 0.00 H new ATOM 0 HH TYR A 26 5.020 -6.100 -11.259 1.00 0.00 H new ATOM 369 N CYS A 27 10.842 -9.686 -5.138 1.00 0.00 N ATOM 370 CA CYS A 27 12.101 -10.116 -4.556 1.00 0.00 C ATOM 371 C CYS A 27 12.025 -11.629 -4.365 1.00 0.00 C ATOM 372 O CYS A 27 12.065 -12.375 -5.345 1.00 0.00 O ATOM 373 CB CYS A 27 12.377 -9.300 -3.274 1.00 0.00 C ATOM 374 SG CYS A 27 14.158 -9.297 -2.926 1.00 0.00 S ATOM 0 H CYS A 27 10.021 -10.052 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 27 12.959 -9.923 -5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.019 -8.278 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.833 -9.730 -2.433 1.00 0.00 H new ATOM 0 HG CYS A 27 14.388 -8.608 -1.848 1.00 0.00 H new ATOM 585 N LYS A 43 7.320 -12.122 -3.360 1.00 0.00 N ATOM 586 CA LYS A 43 7.251 -10.976 -2.472 1.00 0.00 C ATOM 587 C LYS A 43 7.013 -9.736 -3.312 1.00 0.00 C ATOM 588 O LYS A 43 7.418 -9.693 -4.470 1.00 0.00 O ATOM 589 CB LYS A 43 8.543 -10.916 -1.654 1.00 0.00 C ATOM 590 CG LYS A 43 8.584 -9.848 -0.546 1.00 0.00 C ATOM 591 CD LYS A 43 9.914 -9.109 -0.419 1.00 0.00 C ATOM 592 CE LYS A 43 10.150 -8.717 1.038 1.00 0.00 C ATOM 593 NZ LYS A 43 11.555 -8.373 1.352 1.00 0.00 N ATOM 0 HA LYS A 43 6.426 -11.052 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.708 -11.892 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.375 -10.738 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.796 -9.119 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.357 -10.325 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.728 -9.743 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.908 -8.219 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.516 -7.865 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.837 -9.540 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.634 -8.119 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.166 -9.191 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.854 -7.567 0.767 1.00 0.00 H new ATOM 607 N ALA A 44 6.424 -8.711 -2.708 1.00 0.00 N ATOM 608 CA ALA A 44 6.329 -7.378 -3.261 1.00 0.00 C ATOM 609 C ALA A 44 7.042 -6.462 -2.285 1.00 0.00 C ATOM 610 O ALA A 44 6.749 -6.503 -1.086 1.00 0.00 O ATOM 611 CB ALA A 44 4.867 -6.961 -3.399 1.00 0.00 C ATOM 0 H ALA A 44 5.987 -8.794 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 44 6.777 -7.331 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.813 -5.956 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.351 -7.657 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.391 -6.973 -2.418 1.00 0.00 H new ATOM 617 N GLU A 45 7.943 -5.633 -2.795 1.00 0.00 N ATOM 618 CA GLU A 45 8.335 -4.392 -2.172 1.00 0.00 C ATOM 619 C GLU A 45 7.805 -3.304 -3.106 1.00 0.00 C ATOM 620 O GLU A 45 7.721 -3.498 -4.328 1.00 0.00 O ATOM 621 CB GLU A 45 9.870 -4.363 -2.028 1.00 0.00 C ATOM 622 CG GLU A 45 10.365 -3.122 -1.275 1.00 0.00 C ATOM 623 CD GLU A 45 11.886 -2.967 -1.335 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.590 -3.527 -0.459 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.377 -2.218 -2.209 1.00 0.00 O ATOM 0 H GLU A 45 8.428 -5.816 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 45 7.936 -4.255 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.199 -5.259 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.325 -4.389 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.896 -2.234 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.050 -3.184 -0.233 1.00 0.00 H new ATOM 632 N VAL A 46 7.489 -2.140 -2.554 1.00 0.00 N ATOM 633 CA VAL A 46 7.454 -0.924 -3.334 1.00 0.00 C ATOM 634 C VAL A 46 8.163 0.162 -2.532 1.00 0.00 C ATOM 635 O VAL A 46 8.189 0.138 -1.296 1.00 0.00 O ATOM 636 CB VAL A 46 6.011 -0.602 -3.761 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.107 -0.183 -2.603 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.969 0.503 -4.813 1.00 0.00 C ATOM 0 H VAL A 46 7.254 -2.019 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 46 7.991 -1.020 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 46 5.633 -1.538 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.106 0.028 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.056 -0.989 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.512 0.712 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.934 0.703 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.417 1.410 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.526 0.187 -5.695 1.00 0.00 H new ATOM 648 N ARG A 47 8.753 1.104 -3.260 1.00 0.00 N ATOM 649 CA ARG A 47 9.524 2.218 -2.744 1.00 0.00 C ATOM 650 C ARG A 47 9.078 3.478 -3.468 1.00 0.00 C ATOM 651 O ARG A 47 8.741 3.395 -4.651 1.00 0.00 O ATOM 652 CB ARG A 47 11.005 1.884 -2.954 1.00 0.00 C ATOM 653 CG ARG A 47 12.006 3.040 -2.930 1.00 0.00 C ATOM 654 CD ARG A 47 13.424 2.523 -2.637 1.00 0.00 C ATOM 655 NE ARG A 47 13.818 1.384 -3.497 1.00 0.00 N ATOM 656 CZ ARG A 47 15.064 0.963 -3.747 1.00 0.00 C ATOM 657 NH1 ARG A 47 16.116 1.589 -3.231 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.260 -0.109 -4.504 1.00 0.00 N ATOM 0 H ARG A 47 8.701 1.107 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 47 9.369 2.391 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.300 1.170 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.101 1.377 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.993 3.559 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.714 3.765 -2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.136 3.337 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.484 2.219 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 47 13.062 0.867 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.982 2.405 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.058 1.254 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.462 -0.611 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.209 -0.431 -4.696 1.00 0.00 H new ATOM 672 N PHE A 48 9.036 4.620 -2.789 1.00 0.00 N ATOM 673 CA PHE A 48 8.995 5.919 -3.443 1.00 0.00 C ATOM 674 C PHE A 48 9.681 6.975 -2.585 1.00 0.00 C ATOM 675 O PHE A 48 9.486 6.980 -1.368 1.00 0.00 O ATOM 676 CB PHE A 48 7.548 6.303 -3.770 1.00 0.00 C ATOM 677 CG PHE A 48 6.528 6.238 -2.642 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.884 5.027 -2.316 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.169 7.414 -1.962 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.849 5.006 -1.364 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.164 7.394 -0.981 1.00 0.00 C ATOM 682 CZ PHE A 48 4.475 6.196 -0.713 1.00 0.00 C ATOM 0 H PHE A 48 9.030 4.669 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 48 9.543 5.859 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.551 7.320 -4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.202 5.653 -4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.187 4.110 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.670 8.342 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.343 4.080 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.921 8.293 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.658 6.190 -0.007 1.00 0.00 H new ATOM 692 N HIS A 49 10.415 7.911 -3.197 1.00 0.00 N ATOM 693 CA HIS A 49 10.822 9.153 -2.553 1.00 0.00 C ATOM 694 C HIS A 49 9.546 9.934 -2.289 1.00 0.00 C ATOM 695 O HIS A 49 8.963 10.542 -3.185 1.00 0.00 O ATOM 696 CB HIS A 49 11.841 9.934 -3.396 1.00 0.00 C ATOM 697 CG HIS A 49 12.356 11.184 -2.715 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.549 12.404 -3.322 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.751 11.311 -1.405 1.00 0.00 C ATOM 700 CE1 HIS A 49 13.035 13.248 -2.398 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.150 12.638 -1.203 1.00 0.00 N ATOM 0 H HIS A 49 10.742 7.822 -4.159 1.00 0.00 H new ATOM 0 HA HIS A 49 11.344 8.958 -1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.684 9.283 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.381 10.210 -4.345 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.753 10.526 -0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.298 14.278 -2.588 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.464 13.058 -0.328 1.00 0.00 H new ATOM 709 N LEU A 50 9.105 9.887 -1.035 1.00 0.00 N ATOM 710 CA LEU A 50 7.877 10.487 -0.552 1.00 0.00 C ATOM 711 C LEU A 50 7.860 11.965 -0.942 1.00 0.00 C ATOM 712 O LEU A 50 6.833 12.475 -1.376 1.00 0.00 O ATOM 713 CB LEU A 50 7.809 10.177 0.955 1.00 0.00 C ATOM 714 CG LEU A 50 6.907 11.037 1.846 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.446 12.460 2.002 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.450 11.001 1.387 1.00 0.00 C ATOM 0 H LEU A 50 9.622 9.406 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 50 6.969 10.084 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.489 9.141 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.822 10.242 1.351 1.00 0.00 H new ATOM 0 HG LEU A 50 6.923 10.596 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.776 13.035 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.438 12.426 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.509 12.935 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.845 11.624 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.381 11.378 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.083 9.975 1.420 1.00 0.00 H new ATOM 728 N ALA A 51 8.998 12.653 -0.852 1.00 0.00 N ATOM 729 CA ALA A 51 9.056 14.080 -1.110 1.00 0.00 C ATOM 730 C ALA A 51 9.020 14.430 -2.608 1.00 0.00 C ATOM 731 O ALA A 51 8.955 15.612 -2.932 1.00 0.00 O ATOM 732 CB ALA A 51 10.284 14.643 -0.400 1.00 0.00 C ATOM 0 H ALA A 51 9.894 12.236 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 51 8.157 14.549 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.348 15.716 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.201 14.459 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.181 14.156 -0.783 1.00 0.00 H new ATOM 738 N SER A 52 9.061 13.452 -3.519 1.00 0.00 N ATOM 739 CA SER A 52 8.773 13.639 -4.943 1.00 0.00 C ATOM 740 C SER A 52 7.322 13.240 -5.269 1.00 0.00 C ATOM 741 O SER A 52 6.866 13.471 -6.392 1.00 0.00 O ATOM 742 CB SER A 52 9.792 12.819 -5.756 1.00 0.00 C ATOM 743 OG SER A 52 9.597 12.871 -7.157 1.00 0.00 O ATOM 0 H SER A 52 9.300 12.489 -3.281 1.00 0.00 H new ATOM 0 HA SER A 52 8.869 14.692 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.795 13.178 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.744 11.779 -5.433 1.00 0.00 H new ATOM 0 HG SER A 52 8.695 13.202 -7.350 1.00 0.00 H new ATOM 749 N ALA A 53 6.582 12.647 -4.320 1.00 0.00 N ATOM 750 CA ALA A 53 5.260 12.088 -4.554 1.00 0.00 C ATOM 751 C ALA A 53 4.211 13.191 -4.645 1.00 0.00 C ATOM 752 O ALA A 53 3.373 13.339 -3.765 1.00 0.00 O ATOM 753 CB ALA A 53 4.931 11.041 -3.482 1.00 0.00 C ATOM 0 H ALA A 53 6.899 12.545 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 53 5.252 11.576 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.939 10.630 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.669 10.239 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.951 11.509 -2.498 1.00 0.00 H new ATOM 759 N ASP A 54 4.232 13.968 -5.722 1.00 0.00 N ATOM 760 CA ASP A 54 3.281 15.050 -6.001 1.00 0.00 C ATOM 761 C ASP A 54 1.858 14.534 -6.194 1.00 0.00 C ATOM 762 O ASP A 54 0.921 15.319 -6.334 1.00 0.00 O ATOM 763 CB ASP A 54 3.683 15.772 -7.291 1.00 0.00 C ATOM 764 CG ASP A 54 4.784 16.805 -7.131 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.276 17.055 -6.007 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.137 17.393 -8.175 1.00 0.00 O ATOM 0 H ASP A 54 4.935 13.862 -6.454 1.00 0.00 H new ATOM 0 HA ASP A 54 3.305 15.718 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.006 15.029 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.802 16.263 -7.705 1.00 0.00 H new ATOM 771 N TRP A 55 1.670 13.220 -6.283 1.00 0.00 N ATOM 772 CA TRP A 55 0.360 12.599 -6.286 1.00 0.00 C ATOM 773 C TRP A 55 -0.257 12.578 -4.879 1.00 0.00 C ATOM 774 O TRP A 55 -1.464 12.368 -4.764 1.00 0.00 O ATOM 775 CB TRP A 55 0.482 11.210 -6.921 1.00 0.00 C ATOM 776 CG TRP A 55 1.581 10.323 -6.439 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.865 10.335 -6.859 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.485 9.253 -5.468 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.577 9.357 -6.193 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.763 8.638 -5.336 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.429 8.751 -4.687 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.971 7.569 -4.451 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.635 7.692 -3.793 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.904 7.101 -3.670 1.00 0.00 C ATOM 0 H TRP A 55 2.438 12.552 -6.356 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.334 13.186 -6.887 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.462 10.687 -6.769 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.604 11.342 -7.996 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.272 11.006 -7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.575 9.187 -6.317 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.555 9.188 -4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.945 7.110 -4.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.187 7.328 -3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.057 6.288 -2.976 1.00 0.00 H new ATOM 795 N ILE A 56 0.537 12.837 -3.835 1.00 0.00 N ATOM 796 CA ILE A 56 0.118 12.947 -2.444 1.00 0.00 C ATOM 797 C ILE A 56 -0.051 14.434 -2.108 1.00 0.00 C ATOM 798 O ILE A 56 0.721 15.292 -2.546 1.00 0.00 O ATOM 799 CB ILE A 56 1.167 12.238 -1.535 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.370 10.757 -1.943 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.785 12.299 -0.051 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.350 9.951 -1.073 1.00 0.00 C ATOM 0 H ILE A 56 1.540 12.982 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.838 12.453 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 56 2.101 12.782 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.401 10.258 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.722 10.729 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.546 11.792 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.714 13.340 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.177 11.809 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.415 8.930 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.336 10.415 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.995 9.937 -0.043 1.00 0.00 H new ATOM 814 N GLU A 57 -1.062 14.704 -1.286 1.00 0.00 N ATOM 815 CA GLU A 57 -1.362 15.976 -0.643 1.00 0.00 C ATOM 816 C GLU A 57 -0.160 16.367 0.191 1.00 0.00 C ATOM 817 O GLU A 57 0.363 15.552 0.946 1.00 0.00 O ATOM 818 CB GLU A 57 -2.600 15.835 0.278 1.00 0.00 C ATOM 819 CG GLU A 57 -3.641 14.863 -0.242 1.00 0.00 C ATOM 820 CD GLU A 57 -4.990 14.916 0.477 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.056 14.999 1.724 1.00 0.00 O ATOM 822 OE2 GLU A 57 -6.026 14.897 -0.224 1.00 0.00 O ATOM 0 H GLU A 57 -1.741 13.986 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.577 16.733 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.272 15.508 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.061 16.814 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.803 15.060 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.243 13.851 -0.163 1.00 0.00 H new ATOM 829 N GLU A 58 0.238 17.626 0.154 1.00 0.00 N ATOM 830 CA GLU A 58 1.281 18.106 1.030 1.00 0.00 C ATOM 831 C GLU A 58 1.015 17.856 2.529 1.00 0.00 C ATOM 832 O GLU A 58 1.969 17.452 3.211 1.00 0.00 O ATOM 833 CB GLU A 58 1.556 19.569 0.706 1.00 0.00 C ATOM 834 CG GLU A 58 2.988 19.917 1.128 1.00 0.00 C ATOM 835 CD GLU A 58 3.642 20.793 0.073 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.986 20.263 -1.006 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.892 21.983 0.381 1.00 0.00 O ATOM 0 H GLU A 58 -0.148 18.331 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 58 2.180 17.520 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.425 19.749 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.844 20.209 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.978 20.435 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.568 19.004 1.265 1.00 0.00 H new ATOM 844 N PRO A 59 -0.223 17.982 3.069 1.00 0.00 N ATOM 845 CA PRO A 59 -0.449 17.718 4.490 1.00 0.00 C ATOM 846 C PRO A 59 -0.318 16.232 4.820 1.00 0.00 C ATOM 847 O PRO A 59 -0.061 15.885 5.976 1.00 0.00 O ATOM 848 CB PRO A 59 -1.829 18.289 4.820 1.00 0.00 C ATOM 849 CG PRO A 59 -2.576 18.213 3.494 1.00 0.00 C ATOM 850 CD PRO A 59 -1.490 18.353 2.428 1.00 0.00 C ATOM 0 HA PRO A 59 0.310 18.198 5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.328 17.708 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.762 19.314 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.110 17.268 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.317 19.008 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.697 17.705 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.448 19.374 2.049 1.00 0.00 H new ATOM 858 N VAL A 60 -0.423 15.372 3.807 1.00 0.00 N ATOM 859 CA VAL A 60 -0.254 13.938 3.901 1.00 0.00 C ATOM 860 C VAL A 60 1.225 13.584 3.711 1.00 0.00 C ATOM 861 O VAL A 60 1.740 12.736 4.439 1.00 0.00 O ATOM 862 CB VAL A 60 -1.186 13.280 2.865 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.026 11.767 2.817 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.654 13.555 3.187 1.00 0.00 C ATOM 0 H VAL A 60 -0.638 15.679 2.859 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.532 13.558 4.884 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.904 13.716 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.705 11.353 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.001 11.518 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.260 11.345 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.286 13.078 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.892 13.153 4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.833 14.630 3.181 1.00 0.00 H new ATOM 874 N ARG A 61 1.956 14.241 2.797 1.00 0.00 N ATOM 875 CA ARG A 61 3.373 13.953 2.565 1.00 0.00 C ATOM 876 C ARG A 61 4.155 14.100 3.857 1.00 0.00 C ATOM 877 O ARG A 61 4.847 13.173 4.274 1.00 0.00 O ATOM 878 CB ARG A 61 4.006 14.848 1.482 1.00 0.00 C ATOM 879 CG ARG A 61 3.607 14.442 0.061 1.00 0.00 C ATOM 880 CD ARG A 61 4.634 14.885 -0.984 1.00 0.00 C ATOM 881 NE ARG A 61 4.644 16.335 -1.238 1.00 0.00 N ATOM 882 CZ ARG A 61 5.108 16.921 -2.353 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.433 16.177 -3.405 1.00 0.00 N ATOM 884 NH2 ARG A 61 5.255 18.238 -2.412 1.00 0.00 N ATOM 0 H ARG A 61 1.581 14.981 2.204 1.00 0.00 H new ATOM 0 HA ARG A 61 3.422 12.926 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.710 15.883 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.091 14.808 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.490 13.359 0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.637 14.878 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.627 14.577 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.432 14.364 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 61 4.269 16.942 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.330 15.163 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.786 16.620 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.015 18.815 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.608 18.674 -3.264 1.00 0.00 H new ATOM 898 N GLN A 62 4.005 15.252 4.502 1.00 0.00 N ATOM 899 CA GLN A 62 4.690 15.539 5.758 1.00 0.00 C ATOM 900 C GLN A 62 4.240 14.559 6.849 1.00 0.00 C ATOM 901 O GLN A 62 5.000 14.311 7.778 1.00 0.00 O ATOM 902 CB GLN A 62 4.461 17.004 6.173 1.00 0.00 C ATOM 903 CG GLN A 62 3.029 17.186 6.687 1.00 0.00 C ATOM 904 CD GLN A 62 2.445 18.589 6.554 1.00 0.00 C ATOM 905 OE1 GLN A 62 1.801 19.063 7.485 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.534 19.209 5.385 1.00 0.00 N ATOM 0 H GLN A 62 3.408 16.010 4.171 1.00 0.00 H new ATOM 0 HA GLN A 62 5.762 15.403 5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.173 17.286 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.637 17.663 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.381 16.492 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.002 16.901 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.076 18.793 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.061 20.101 5.244 1.00 0.00 H new ATOM 915 N LYS A 63 3.028 13.986 6.767 1.00 0.00 N ATOM 916 CA LYS A 63 2.629 12.934 7.680 1.00 0.00 C ATOM 917 C LYS A 63 3.491 11.713 7.420 1.00 0.00 C ATOM 918 O LYS A 63 4.276 11.362 8.273 1.00 0.00 O ATOM 919 CB LYS A 63 1.140 12.609 7.548 1.00 0.00 C ATOM 920 CG LYS A 63 0.383 12.812 8.860 1.00 0.00 C ATOM 921 CD LYS A 63 -0.067 14.268 8.961 1.00 0.00 C ATOM 922 CE LYS A 63 -0.655 14.534 10.338 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.414 15.792 10.352 1.00 0.00 N ATOM 0 H LYS A 63 2.320 14.240 6.078 1.00 0.00 H new ATOM 0 HA LYS A 63 2.779 13.271 8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.700 13.240 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.024 11.576 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.481 12.148 8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.022 12.557 9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.779 14.932 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.809 14.483 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.307 13.709 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.145 14.580 11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.805 15.951 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.784 16.580 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.191 15.736 9.663 1.00 0.00 H new ATOM 937 N ILE A 64 3.415 11.070 6.259 1.00 0.00 N ATOM 938 CA ILE A 64 4.151 9.872 5.879 1.00 0.00 C ATOM 939 C ILE A 64 5.659 10.049 6.120 1.00 0.00 C ATOM 940 O ILE A 64 6.295 9.082 6.546 1.00 0.00 O ATOM 941 CB ILE A 64 3.722 9.470 4.447 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.345 8.755 4.421 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.706 8.505 3.797 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.167 9.704 4.335 1.00 0.00 C ATOM 0 H ILE A 64 2.799 11.393 5.513 1.00 0.00 H new ATOM 0 HA ILE A 64 3.902 9.022 6.515 1.00 0.00 H new ATOM 0 HB ILE A 64 3.682 10.413 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.315 8.075 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.245 8.146 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.360 8.253 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.688 8.974 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.774 7.597 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.239 9.132 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.171 10.368 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.242 10.296 3.423 1.00 0.00 H new ATOM 956 N ALA A 65 6.205 11.261 5.960 1.00 0.00 N ATOM 957 CA ALA A 65 7.585 11.598 6.275 1.00 0.00 C ATOM 958 C ALA A 65 7.948 11.206 7.715 1.00 0.00 C ATOM 959 O ALA A 65 9.061 10.743 7.976 1.00 0.00 O ATOM 960 CB ALA A 65 7.765 13.112 6.069 1.00 0.00 C ATOM 0 H ALA A 65 5.676 12.054 5.596 1.00 0.00 H new ATOM 0 HA ALA A 65 8.252 11.041 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.793 13.391 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.543 13.367 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.086 13.652 6.729 1.00 0.00 H new ATOM 966 N LEU A 66 7.022 11.473 8.639 1.00 0.00 N ATOM 967 CA LEU A 66 7.119 11.343 10.085 1.00 0.00 C ATOM 968 C LEU A 66 6.428 10.075 10.597 1.00 0.00 C ATOM 969 O LEU A 66 7.055 9.229 11.229 1.00 0.00 O ATOM 970 CB LEU A 66 6.501 12.599 10.722 1.00 0.00 C ATOM 971 CG LEU A 66 7.125 13.924 10.234 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.276 15.091 10.732 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.588 14.057 10.659 1.00 0.00 C ATOM 0 H LEU A 66 6.102 11.817 8.362 1.00 0.00 H new ATOM 0 HA LEU A 66 8.169 11.253 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.432 12.613 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.610 12.535 11.805 1.00 0.00 H new ATOM 0 HG LEU A 66 7.129 13.932 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.712 16.030 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.263 14.997 10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.246 15.080 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.988 15.003 10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.655 14.029 11.747 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.165 13.233 10.239 1.00 0.00 H new ATOM 985 N THR A 67 5.125 9.948 10.346 1.00 0.00 N ATOM 986 CA THR A 67 4.237 8.926 10.879 1.00 0.00 C ATOM 987 C THR A 67 4.629 7.544 10.356 1.00 0.00 C ATOM 988 O THR A 67 4.442 6.530 11.031 1.00 0.00 O ATOM 989 CB THR A 67 2.794 9.288 10.469 1.00 0.00 C ATOM 990 OG1 THR A 67 2.486 10.621 10.846 1.00 0.00 O ATOM 991 CG2 THR A 67 1.759 8.344 11.074 1.00 0.00 C ATOM 0 H THR A 67 4.637 10.596 9.728 1.00 0.00 H new ATOM 0 HA THR A 67 4.313 8.889 11.966 1.00 0.00 H new ATOM 0 HB THR A 67 2.748 9.187 9.385 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.513 10.736 10.877 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.761 8.644 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.956 7.325 10.740 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.819 8.387 12.161 1.00 0.00 H new ATOM 999 N HIS A 68 5.208 7.480 9.159 1.00 0.00 N ATOM 1000 CA HIS A 68 5.623 6.235 8.531 1.00 0.00 C ATOM 1001 C HIS A 68 7.139 6.251 8.332 1.00 0.00 C ATOM 1002 O HIS A 68 7.682 5.601 7.440 1.00 0.00 O ATOM 1003 CB HIS A 68 4.748 5.972 7.300 1.00 0.00 C ATOM 1004 CG HIS A 68 3.278 5.886 7.660 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.604 4.764 8.089 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.387 6.925 7.724 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.339 5.119 8.378 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.167 6.430 8.162 1.00 0.00 N ATOM 0 H HIS A 68 5.403 8.306 8.593 1.00 0.00 H new ATOM 0 HA HIS A 68 5.453 5.362 9.161 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.897 6.769 6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.060 5.042 6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.598 7.955 7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.573 4.445 8.733 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.306 6.961 8.294 1.00 0.00 H new ATOM 1016 N LYS A 69 7.850 6.968 9.211 1.00 0.00 N ATOM 1017 CA LYS A 69 9.300 7.098 9.165 1.00 0.00 C ATOM 1018 C LYS A 69 9.993 5.745 9.258 1.00 0.00 C ATOM 1019 O LYS A 69 11.017 5.554 8.614 1.00 0.00 O ATOM 1020 CB LYS A 69 9.751 8.033 10.292 1.00 0.00 C ATOM 1021 CG LYS A 69 11.266 8.224 10.365 1.00 0.00 C ATOM 1022 CD LYS A 69 11.852 8.993 9.169 1.00 0.00 C ATOM 1023 CE LYS A 69 12.489 10.321 9.591 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.676 10.131 10.448 1.00 0.00 N ATOM 0 H LYS A 69 7.422 7.479 9.983 1.00 0.00 H new ATOM 0 HA LYS A 69 9.586 7.525 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.278 9.005 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.398 7.637 11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.512 8.757 11.284 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.744 7.246 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.600 8.375 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.064 9.185 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.773 10.883 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.752 10.921 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.214 11.020 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.373 9.855 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.278 9.384 10.046 1.00 0.00 H new ATOM 1038 N ASN A 70 9.462 4.789 10.019 1.00 0.00 N ATOM 1039 CA ASN A 70 10.044 3.461 10.063 1.00 0.00 C ATOM 1040 C ASN A 70 9.943 2.730 8.718 1.00 0.00 C ATOM 1041 O ASN A 70 10.798 1.907 8.389 1.00 0.00 O ATOM 1042 CB ASN A 70 9.341 2.661 11.152 1.00 0.00 C ATOM 1043 CG ASN A 70 10.025 1.327 11.340 1.00 0.00 C ATOM 1044 OD1 ASN A 70 9.540 0.284 10.903 1.00 0.00 O ATOM 1045 ND2 ASN A 70 11.172 1.331 11.987 1.00 0.00 N ATOM 0 H ASN A 70 8.637 4.913 10.606 1.00 0.00 H new ATOM 0 HA ASN A 70 11.107 3.560 10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.352 3.219 12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.296 2.508 10.884 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.677 0.457 12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.555 2.208 12.340 1.00 0.00 H new ATOM 1052 N LYS A 71 8.904 3.013 7.918 1.00 0.00 N ATOM 1053 CA LYS A 71 8.828 2.516 6.551 1.00 0.00 C ATOM 1054 C LYS A 71 9.874 3.223 5.690 1.00 0.00 C ATOM 1055 O LYS A 71 10.499 2.583 4.845 1.00 0.00 O ATOM 1056 CB LYS A 71 7.411 2.664 5.976 1.00 0.00 C ATOM 1057 CG LYS A 71 6.269 2.032 6.789 1.00 0.00 C ATOM 1058 CD LYS A 71 6.224 0.496 6.762 1.00 0.00 C ATOM 1059 CE LYS A 71 4.762 0.012 6.740 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.630 -1.383 7.204 1.00 0.00 N ATOM 0 H LYS A 71 8.108 3.584 8.202 1.00 0.00 H new ATOM 0 HA LYS A 71 9.048 1.448 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.199 3.727 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.401 2.227 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.356 2.360 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.320 2.415 6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.752 0.124 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.736 0.094 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.156 0.662 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.369 0.095 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.630 -1.666 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.187 -2.008 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.981 -1.459 8.180 1.00 0.00 H new ATOM 1074 N ILE A 72 10.125 4.514 5.905 1.00 0.00 N ATOM 1075 CA ILE A 72 11.247 5.179 5.262 1.00 0.00 C ATOM 1076 C ILE A 72 12.569 4.496 5.637 1.00 0.00 C ATOM 1077 O ILE A 72 12.750 3.975 6.740 1.00 0.00 O ATOM 1078 CB ILE A 72 11.177 6.689 5.557 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.167 7.366 4.616 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.509 7.448 5.530 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.353 8.461 5.296 1.00 0.00 C ATOM 0 H ILE A 72 9.569 5.113 6.515 1.00 0.00 H new ATOM 0 HA ILE A 72 11.192 5.083 4.178 1.00 0.00 H new ATOM 0 HB ILE A 72 10.852 6.746 6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.701 7.793 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.488 6.611 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.333 8.500 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.183 7.028 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.960 7.356 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.660 8.898 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.793 8.034 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.024 9.235 5.669 1.00 0.00 H new ATOM 1093 N ASN A 73 13.480 4.489 4.669 1.00 0.00 N ATOM 1094 CA ASN A 73 14.897 4.170 4.798 1.00 0.00 C ATOM 1095 C ASN A 73 15.644 5.385 5.390 1.00 0.00 C ATOM 1096 O ASN A 73 15.135 6.072 6.273 1.00 0.00 O ATOM 1097 CB ASN A 73 15.426 3.703 3.423 1.00 0.00 C ATOM 1098 CG ASN A 73 15.437 4.784 2.344 1.00 0.00 C ATOM 1099 OD1 ASN A 73 14.966 5.899 2.554 1.00 0.00 O ATOM 1100 ND2 ASN A 73 16.008 4.500 1.189 1.00 0.00 N ATOM 0 H ASN A 73 13.230 4.722 3.708 1.00 0.00 H new ATOM 0 HA ASN A 73 15.067 3.348 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.440 3.324 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.814 2.870 3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.062 5.210 0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.395 3.571 1.027 1.00 0.00 H new ATOM 1107 N LYS A 74 16.867 5.676 4.948 1.00 0.00 N ATOM 1108 CA LYS A 74 17.623 6.859 5.373 1.00 0.00 C ATOM 1109 C LYS A 74 17.442 8.031 4.405 1.00 0.00 C ATOM 1110 O LYS A 74 17.821 9.148 4.735 1.00 0.00 O ATOM 1111 CB LYS A 74 19.111 6.487 5.556 1.00 0.00 C ATOM 1112 CG LYS A 74 19.598 6.731 6.991 1.00 0.00 C ATOM 1113 CD LYS A 74 19.791 8.220 7.299 1.00 0.00 C ATOM 1114 CE LYS A 74 20.024 8.415 8.797 1.00 0.00 C ATOM 1115 NZ LYS A 74 20.346 9.819 9.114 1.00 0.00 N ATOM 0 H LYS A 74 17.368 5.093 4.278 1.00 0.00 H new ATOM 0 HA LYS A 74 17.229 7.195 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.256 5.438 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 74 19.717 7.071 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.879 6.308 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.541 6.206 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.639 8.610 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.913 8.783 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.134 8.111 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.838 7.770 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.498 9.918 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.209 10.100 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.558 10.431 8.821 1.00 0.00 H new ATOM 1129 N ALA A 75 16.869 7.812 3.224 1.00 0.00 N ATOM 1130 CA ALA A 75 16.764 8.778 2.139 1.00 0.00 C ATOM 1131 C ALA A 75 15.421 9.514 2.113 1.00 0.00 C ATOM 1132 O ALA A 75 15.221 10.335 1.222 1.00 0.00 O ATOM 1133 CB ALA A 75 16.967 8.027 0.815 1.00 0.00 C ATOM 0 H ALA A 75 16.446 6.914 2.989 1.00 0.00 H new ATOM 0 HA ALA A 75 17.528 9.541 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.893 8.728 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.952 7.560 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.200 7.259 0.711 1.00 0.00 H new ATOM 1139 N GLY A 76 14.469 9.207 3.006 1.00 0.00 N ATOM 1140 CA GLY A 76 13.114 9.717 2.837 1.00 0.00 C ATOM 1141 C GLY A 76 12.335 8.934 1.777 1.00 0.00 C ATOM 1142 O GLY A 76 11.216 9.327 1.437 1.00 0.00 O ATOM 0 H GLY A 76 14.612 8.623 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.585 9.664 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.155 10.769 2.554 1.00 0.00 H new ATOM 1146 N GLU A 77 12.904 7.842 1.260 1.00 0.00 N ATOM 1147 CA GLU A 77 12.247 6.882 0.392 1.00 0.00 C ATOM 1148 C GLU A 77 11.472 5.938 1.296 1.00 0.00 C ATOM 1149 O GLU A 77 12.051 5.281 2.157 1.00 0.00 O ATOM 1150 CB GLU A 77 13.276 6.155 -0.479 1.00 0.00 C ATOM 1151 CG GLU A 77 13.898 7.117 -1.510 1.00 0.00 C ATOM 1152 CD GLU A 77 13.671 6.723 -2.967 1.00 0.00 C ATOM 1153 OE1 GLU A 77 12.651 6.073 -3.277 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.445 7.210 -3.821 1.00 0.00 O ATOM 0 H GLU A 77 13.877 7.599 1.448 1.00 0.00 H new ATOM 0 HA GLU A 77 11.562 7.366 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.060 5.734 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.799 5.321 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.489 8.114 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.971 7.180 -1.327 1.00 0.00 H new ATOM 1161 N LEU A 78 10.149 5.955 1.166 1.00 0.00 N ATOM 1162 CA LEU A 78 9.221 5.116 1.897 1.00 0.00 C ATOM 1163 C LEU A 78 9.270 3.750 1.252 1.00 0.00 C ATOM 1164 O LEU A 78 8.953 3.662 0.069 1.00 0.00 O ATOM 1165 CB LEU A 78 7.809 5.712 1.796 1.00 0.00 C ATOM 1166 CG LEU A 78 6.836 5.030 2.775 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.905 5.690 4.149 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.404 5.162 2.283 1.00 0.00 C ATOM 0 H LEU A 78 9.679 6.585 0.517 1.00 0.00 H new ATOM 0 HA LEU A 78 9.482 5.049 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.848 6.781 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.438 5.601 0.777 1.00 0.00 H new ATOM 0 HG LEU A 78 7.125 3.981 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.210 5.194 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.918 5.606 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.636 6.743 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.731 4.674 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.143 6.217 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.310 4.690 1.305 1.00 0.00 H new ATOM 1180 N VAL A 79 9.680 2.720 1.989 1.00 0.00 N ATOM 1181 CA VAL A 79 9.782 1.365 1.480 1.00 0.00 C ATOM 1182 C VAL A 79 8.974 0.464 2.404 1.00 0.00 C ATOM 1183 O VAL A 79 9.150 0.482 3.624 1.00 0.00 O ATOM 1184 CB VAL A 79 11.253 0.931 1.341 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.317 -0.377 0.538 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.110 2.024 0.690 1.00 0.00 C ATOM 0 H VAL A 79 9.953 2.810 2.968 1.00 0.00 H new ATOM 0 HA VAL A 79 9.371 1.295 0.473 1.00 0.00 H new ATOM 0 HB VAL A 79 11.665 0.765 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.356 -0.691 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.754 -1.152 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.887 -0.218 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.141 1.679 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.723 2.245 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.076 2.926 1.302 1.00 0.00 H new ATOM 1196 N LEU A 80 8.066 -0.324 1.841 1.00 0.00 N ATOM 1197 CA LEU A 80 7.311 -1.313 2.591 1.00 0.00 C ATOM 1198 C LEU A 80 7.166 -2.568 1.739 1.00 0.00 C ATOM 1199 O LEU A 80 7.316 -2.519 0.514 1.00 0.00 O ATOM 1200 CB LEU A 80 5.976 -0.720 3.089 1.00 0.00 C ATOM 1201 CG LEU A 80 4.808 -0.579 2.092 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.653 0.144 2.796 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.144 0.239 0.844 1.00 0.00 C ATOM 0 H LEU A 80 7.834 -0.293 0.848 1.00 0.00 H new ATOM 0 HA LEU A 80 7.842 -1.604 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.630 -1.337 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.185 0.270 3.494 1.00 0.00 H new ATOM 0 HG LEU A 80 4.560 -1.591 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.817 0.253 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.335 -0.436 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.985 1.130 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.269 0.290 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.437 1.247 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.966 -0.236 0.308 1.00 0.00 H new ATOM 1215 N THR A 81 6.900 -3.696 2.393 1.00 0.00 N ATOM 1216 CA THR A 81 6.717 -4.983 1.738 1.00 0.00 C ATOM 1217 C THR A 81 5.407 -5.544 2.307 1.00 0.00 C ATOM 1218 O THR A 81 5.151 -5.422 3.513 1.00 0.00 O ATOM 1219 CB THR A 81 7.978 -5.880 1.909 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.074 -6.493 3.183 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.317 -5.161 1.758 1.00 0.00 C ATOM 0 H THR A 81 6.805 -3.739 3.408 1.00 0.00 H new ATOM 0 HA THR A 81 6.622 -4.916 0.654 1.00 0.00 H new ATOM 0 HB THR A 81 7.821 -6.597 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.885 -7.042 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.130 -5.874 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.384 -4.721 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.394 -4.374 2.508 1.00 0.00 H new ATOM 1229 N SER A 82 4.518 -6.050 1.454 1.00 0.00 N ATOM 1230 CA SER A 82 3.283 -6.704 1.857 1.00 0.00 C ATOM 1231 C SER A 82 3.068 -7.844 0.876 1.00 0.00 C ATOM 1232 O SER A 82 3.005 -7.598 -0.329 1.00 0.00 O ATOM 1233 CB SER A 82 2.120 -5.702 1.902 1.00 0.00 C ATOM 1234 OG SER A 82 1.185 -6.046 2.909 1.00 0.00 O ATOM 0 H SER A 82 4.643 -6.014 0.442 1.00 0.00 H new ATOM 0 HA SER A 82 3.339 -7.103 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.507 -4.700 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.621 -5.676 0.933 1.00 0.00 H new ATOM 0 HG SER A 82 0.774 -6.909 2.693 1.00 0.00 H new ATOM 1240 N GLU A 83 3.048 -9.080 1.361 1.00 0.00 N ATOM 1241 CA GLU A 83 2.915 -10.268 0.535 1.00 0.00 C ATOM 1242 C GLU A 83 2.267 -11.411 1.339 1.00 0.00 C ATOM 1243 O GLU A 83 2.219 -11.368 2.578 1.00 0.00 O ATOM 1244 CB GLU A 83 4.281 -10.607 -0.103 1.00 0.00 C ATOM 1245 CG GLU A 83 5.477 -10.764 0.847 1.00 0.00 C ATOM 1246 CD GLU A 83 5.275 -11.845 1.898 1.00 0.00 C ATOM 1247 OE1 GLU A 83 4.843 -12.962 1.543 1.00 0.00 O ATOM 1248 OE2 GLU A 83 5.495 -11.551 3.098 1.00 0.00 O ATOM 0 H GLU A 83 3.125 -9.285 2.357 1.00 0.00 H new ATOM 0 HA GLU A 83 2.234 -10.091 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.171 -11.535 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.521 -9.825 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.367 -10.997 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.663 -9.813 1.346 1.00 0.00 H new ATOM 1255 N SER A 84 1.723 -12.402 0.634 1.00 0.00 N ATOM 1256 CA SER A 84 1.030 -13.564 1.181 1.00 0.00 C ATOM 1257 C SER A 84 0.831 -14.664 0.115 1.00 0.00 C ATOM 1258 O SER A 84 0.702 -15.838 0.485 1.00 0.00 O ATOM 1259 CB SER A 84 -0.323 -13.073 1.734 1.00 0.00 C ATOM 1260 OG SER A 84 -1.177 -14.113 2.179 1.00 0.00 O ATOM 0 H SER A 84 1.756 -12.415 -0.385 1.00 0.00 H new ATOM 0 HA SER A 84 1.626 -14.016 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.138 -12.389 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.835 -12.503 0.959 1.00 0.00 H new ATOM 0 HG SER A 84 -2.013 -13.728 2.516 1.00 0.00 H new ATOM 1266 N SER A 85 0.770 -14.315 -1.180 1.00 0.00 N ATOM 1267 CA SER A 85 0.315 -15.186 -2.259 1.00 0.00 C ATOM 1268 C SER A 85 1.371 -15.369 -3.354 1.00 0.00 C ATOM 1269 O SER A 85 2.373 -14.670 -3.422 1.00 0.00 O ATOM 1270 CB SER A 85 -0.969 -14.602 -2.863 1.00 0.00 C ATOM 1271 OG SER A 85 -2.127 -15.105 -2.233 1.00 0.00 O ATOM 0 H SER A 85 1.046 -13.389 -1.508 1.00 0.00 H new ATOM 0 HA SER A 85 0.126 -16.172 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.950 -13.516 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.006 -14.833 -3.928 1.00 0.00 H new ATOM 0 HG SER A 85 -2.922 -14.708 -2.645 1.00 0.00 H new ATOM 1277 N ARG A 86 1.110 -16.310 -4.260 1.00 0.00 N ATOM 1278 CA ARG A 86 1.965 -16.709 -5.382 1.00 0.00 C ATOM 1279 C ARG A 86 2.142 -15.666 -6.492 1.00 0.00 C ATOM 1280 O ARG A 86 2.973 -15.857 -7.379 1.00 0.00 O ATOM 1281 CB ARG A 86 1.333 -17.971 -5.988 1.00 0.00 C ATOM 1282 CG ARG A 86 -0.039 -17.685 -6.632 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.715 -18.976 -7.060 1.00 0.00 C ATOM 1284 NE ARG A 86 -1.216 -19.764 -5.924 1.00 0.00 N ATOM 1285 CZ ARG A 86 -1.351 -21.096 -5.925 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -1.081 -21.806 -7.013 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -1.796 -21.712 -4.840 1.00 0.00 N ATOM 0 H ARG A 86 0.244 -16.848 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 86 2.967 -16.858 -4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.005 -18.387 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.217 -18.726 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.675 -17.154 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.089 -17.033 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.545 -18.742 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.008 -19.579 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.479 -19.261 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.766 -21.338 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.188 -22.820 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.034 -21.172 -4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.900 -22.727 -4.836 1.00 0.00 H new ATOM 1301 N TYR A 87 1.279 -14.656 -6.549 1.00 0.00 N ATOM 1302 CA TYR A 87 1.178 -13.744 -7.683 1.00 0.00 C ATOM 1303 C TYR A 87 2.127 -12.550 -7.539 1.00 0.00 C ATOM 1304 O TYR A 87 2.699 -12.309 -6.479 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.256 -13.225 -7.794 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.347 -14.276 -7.708 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.623 -15.094 -8.819 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.083 -14.435 -6.517 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.596 -16.106 -8.725 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.065 -15.436 -6.422 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.308 -16.293 -7.520 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.200 -17.315 -7.406 1.00 0.00 O ATOM 0 H TYR A 87 0.621 -14.445 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 87 1.458 -14.298 -8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.420 -12.493 -7.003 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.359 -12.698 -8.743 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.087 -14.945 -9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.892 -13.786 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.798 -16.740 -9.575 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.634 -15.550 -5.511 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.601 -17.301 -6.512 1.00 0.00 H new ATOM 1322 N GLN A 88 2.230 -11.752 -8.602 1.00 0.00 N ATOM 1323 CA GLN A 88 3.005 -10.516 -8.663 1.00 0.00 C ATOM 1324 C GLN A 88 2.135 -9.328 -8.211 1.00 0.00 C ATOM 1325 O GLN A 88 2.120 -9.033 -7.012 1.00 0.00 O ATOM 1326 CB GLN A 88 3.647 -10.374 -10.057 1.00 0.00 C ATOM 1327 CG GLN A 88 2.739 -10.750 -11.245 1.00 0.00 C ATOM 1328 CD GLN A 88 3.498 -10.703 -12.560 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.349 -9.777 -13.354 1.00 0.00 O ATOM 1330 NE2 GLN A 88 4.254 -11.744 -12.845 1.00 0.00 N ATOM 0 H GLN A 88 1.755 -11.960 -9.480 1.00 0.00 H new ATOM 0 HA GLN A 88 3.840 -10.537 -7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.974 -9.342 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.540 -10.998 -10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.334 -11.750 -11.093 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.891 -10.066 -11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.360 -12.498 -12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.733 -11.795 -13.744 1.00 0.00 H new ATOM 1339 N PHE A 89 1.364 -8.700 -9.111 1.00 0.00 N ATOM 1340 CA PHE A 89 0.400 -7.632 -8.832 1.00 0.00 C ATOM 1341 C PHE A 89 -0.403 -7.903 -7.555 1.00 0.00 C ATOM 1342 O PHE A 89 -0.576 -6.981 -6.785 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.541 -7.437 -10.028 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.850 -6.747 -9.692 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.904 -5.347 -9.554 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.003 -7.518 -9.447 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.105 -4.723 -9.171 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.199 -6.893 -9.061 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.252 -5.497 -8.927 1.00 0.00 C ATOM 0 H PHE A 89 1.400 -8.937 -10.102 1.00 0.00 H new ATOM 0 HA PHE A 89 0.965 -6.714 -8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.023 -6.855 -10.791 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.760 -8.411 -10.465 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.023 -4.752 -9.742 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.967 -8.592 -9.556 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.146 -3.649 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.080 -7.487 -8.867 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.175 -5.017 -8.636 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.888 -9.121 -7.276 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.767 -9.358 -6.115 1.00 0.00 C ATOM 1361 C ARG A 90 -1.111 -8.957 -4.791 1.00 0.00 C ATOM 1362 O ARG A 90 -1.747 -8.310 -3.960 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.203 -10.832 -6.074 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.563 -11.081 -5.408 1.00 0.00 C ATOM 1365 CD ARG A 90 -3.560 -11.015 -3.877 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.612 -10.113 -3.397 1.00 0.00 N ATOM 1367 CZ ARG A 90 -5.871 -10.405 -3.077 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.323 -11.654 -3.146 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.673 -9.422 -2.696 1.00 0.00 N ATOM 0 H ARG A 90 -0.690 -9.953 -7.832 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.644 -8.723 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.238 -11.215 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.444 -11.407 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.275 -10.347 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.925 -12.063 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.712 -12.012 -3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.588 -10.669 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.344 -9.134 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.702 -12.405 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.290 -11.861 -2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.322 -8.465 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.642 -9.622 -2.446 1.00 0.00 H new ATOM 1383 N ASN A 91 0.135 -9.386 -4.571 1.00 0.00 N ATOM 1384 CA ASN A 91 0.882 -9.051 -3.357 1.00 0.00 C ATOM 1385 C ASN A 91 1.099 -7.547 -3.333 1.00 0.00 C ATOM 1386 O ASN A 91 0.764 -6.867 -2.368 1.00 0.00 O ATOM 1387 CB ASN A 91 2.240 -9.772 -3.343 1.00 0.00 C ATOM 1388 CG ASN A 91 2.173 -11.208 -2.857 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.276 -11.591 -2.110 1.00 0.00 O ATOM 1390 ND2 ASN A 91 3.124 -12.027 -3.250 1.00 0.00 N ATOM 0 H ASN A 91 0.652 -9.972 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 91 0.319 -9.370 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.657 -9.759 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.928 -9.216 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.124 -12.997 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.861 -11.692 -3.870 1.00 0.00 H new ATOM 1397 N LEU A 92 1.632 -7.043 -4.443 1.00 0.00 N ATOM 1398 CA LEU A 92 1.955 -5.652 -4.684 1.00 0.00 C ATOM 1399 C LEU A 92 0.725 -4.764 -4.449 1.00 0.00 C ATOM 1400 O LEU A 92 0.844 -3.721 -3.825 1.00 0.00 O ATOM 1401 CB LEU A 92 2.562 -5.619 -6.097 1.00 0.00 C ATOM 1402 CG LEU A 92 3.058 -4.280 -6.652 1.00 0.00 C ATOM 1403 CD1 LEU A 92 1.934 -3.501 -7.319 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.829 -3.464 -5.608 1.00 0.00 C ATOM 0 H LEU A 92 1.861 -7.635 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 92 2.684 -5.234 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.401 -6.315 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.813 -6.006 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 92 3.783 -4.501 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.322 -2.557 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.526 -4.085 -8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.148 -3.302 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.159 -2.524 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.180 -3.256 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.697 -4.031 -5.272 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.473 -5.200 -4.822 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.738 -4.505 -4.658 1.00 0.00 C ATOM 1418 C ALA A 93 -2.068 -4.249 -3.189 1.00 0.00 C ATOM 1419 O ALA A 93 -2.762 -3.276 -2.897 1.00 0.00 O ATOM 1420 CB ALA A 93 -2.855 -5.320 -5.322 1.00 0.00 C ATOM 0 H ALA A 93 -0.591 -6.106 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.653 -3.531 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.806 -4.801 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.638 -5.437 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.916 -6.303 -4.854 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.573 -5.072 -2.259 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.711 -4.816 -0.839 1.00 0.00 C ATOM 1428 C GLU A 94 -0.772 -3.695 -0.411 1.00 0.00 C ATOM 1429 O GLU A 94 -1.172 -2.821 0.350 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.390 -6.087 -0.061 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.958 -5.969 1.350 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.836 -7.311 2.046 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.688 -7.754 2.285 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.882 -7.972 2.252 1.00 0.00 O ATOM 0 H GLU A 94 -1.068 -5.930 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.736 -4.511 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.816 -6.954 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.312 -6.240 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.419 -5.204 1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.002 -5.659 1.311 1.00 0.00 H new ATOM 1441 N CYS A 95 0.458 -3.672 -0.933 1.00 0.00 N ATOM 1442 CA CYS A 95 1.352 -2.531 -0.773 1.00 0.00 C ATOM 1443 C CYS A 95 0.634 -1.250 -1.228 1.00 0.00 C ATOM 1444 O CYS A 95 0.599 -0.271 -0.481 1.00 0.00 O ATOM 1445 CB CYS A 95 2.667 -2.783 -1.532 1.00 0.00 C ATOM 1446 SG CYS A 95 3.909 -3.527 -0.447 1.00 0.00 S ATOM 0 H CYS A 95 0.856 -4.440 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 95 1.615 -2.399 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.481 -3.440 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.046 -1.843 -1.933 1.00 0.00 H new ATOM 0 HG CYS A 95 5.005 -3.729 -1.116 1.00 0.00 H new ATOM 1452 N LEU A 96 0.017 -1.270 -2.415 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.741 -0.134 -2.942 1.00 0.00 C ATOM 1454 C LEU A 96 -1.967 0.173 -2.089 1.00 0.00 C ATOM 1455 O LEU A 96 -2.348 1.335 -1.985 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.212 -0.348 -4.386 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.206 -0.944 -5.372 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.914 -1.094 -6.716 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.109 -0.167 -5.487 1.00 0.00 C ATOM 0 H LEU A 96 0.031 -2.078 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.045 0.704 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.087 -0.998 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.540 0.614 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 96 0.114 -1.915 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.224 -1.518 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.773 -1.755 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.251 -0.116 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.761 -0.661 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.903 0.850 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.600 -0.136 -4.514 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.616 -0.834 -1.502 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.765 -0.620 -0.637 1.00 0.00 C ATOM 1473 C GLN A 97 -3.312 0.107 0.622 1.00 0.00 C ATOM 1474 O GLN A 97 -4.007 1.034 1.048 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.457 -1.954 -0.299 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.658 -1.810 0.650 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.742 -0.895 0.092 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.578 -1.313 -0.702 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -6.729 0.386 0.425 1.00 0.00 N ATOM 0 H GLN A 97 -2.357 -1.814 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.499 -0.004 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.792 -2.423 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.728 -2.626 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.083 -2.795 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.315 -1.418 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.034 0.734 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.414 1.025 0.021 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.162 -0.269 1.200 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.681 0.409 2.395 1.00 0.00 C ATOM 1490 C LYS A 98 -1.389 1.826 2.000 1.00 0.00 C ATOM 1491 O LYS A 98 -1.942 2.692 2.646 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.471 -0.223 3.077 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.700 -1.698 3.422 1.00 0.00 C ATOM 1494 CD LYS A 98 0.643 -2.440 3.384 1.00 0.00 C ATOM 1495 CE LYS A 98 0.903 -3.332 4.586 1.00 0.00 C ATOM 1496 NZ LYS A 98 0.573 -2.738 5.900 1.00 0.00 N ATOM 0 H LYS A 98 -1.564 -1.023 0.863 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.462 0.332 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.397 -0.136 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.241 0.329 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.150 -1.787 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.397 -2.146 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.682 -3.048 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.447 -1.707 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.328 -4.250 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.956 -3.613 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.143 -3.195 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.781 -1.719 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.437 -2.882 6.102 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.650 2.082 0.913 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.430 3.424 0.396 1.00 0.00 C ATOM 1512 C ILE A 99 -1.697 4.291 0.472 1.00 0.00 C ATOM 1513 O ILE A 99 -1.586 5.426 0.934 1.00 0.00 O ATOM 1514 CB ILE A 99 0.213 3.342 -1.008 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.697 2.947 -0.906 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.079 4.648 -1.798 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.240 2.225 -2.138 1.00 0.00 C ATOM 0 H ILE A 99 -0.188 1.353 0.369 1.00 0.00 H new ATOM 0 HA ILE A 99 0.281 3.947 1.035 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.334 2.572 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.290 3.846 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.832 2.306 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.548 4.532 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.976 4.888 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.570 5.455 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.291 1.983 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.676 1.307 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.141 2.870 -3.011 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.876 3.788 0.075 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.122 4.554 0.144 1.00 0.00 C ATOM 1531 C ARG A 100 -4.551 4.796 1.580 1.00 0.00 C ATOM 1532 O ARG A 100 -4.975 5.901 1.905 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.272 3.846 -0.587 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.955 3.565 -2.051 1.00 0.00 C ATOM 1535 CD ARG A 100 -6.184 3.136 -2.840 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.712 1.793 -2.545 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.521 1.133 -3.393 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -8.070 1.751 -4.436 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -7.781 -0.150 -3.192 1.00 0.00 N ATOM 0 H ARG A 100 -2.989 2.846 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.914 5.506 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.495 2.907 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.169 4.462 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.529 4.459 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.197 2.784 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.977 3.862 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.943 3.183 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.455 1.347 -1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.879 2.739 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.681 1.236 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.368 -0.635 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.394 -0.653 -3.834 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.517 3.765 2.419 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.947 3.857 3.810 1.00 0.00 C ATOM 1555 C ASP A 101 -4.030 4.811 4.574 1.00 0.00 C ATOM 1556 O ASP A 101 -4.489 5.715 5.255 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.961 2.476 4.478 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.271 2.273 5.235 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -6.468 2.914 6.287 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -7.124 1.458 4.812 1.00 0.00 O ATOM 0 H ASP A 101 -4.189 2.837 2.151 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.965 4.246 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.843 1.698 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.118 2.386 5.163 1.00 0.00 H new ATOM 1565 N MET A 102 -2.722 4.670 4.368 1.00 0.00 N ATOM 1566 CA MET A 102 -1.646 5.490 4.908 1.00 0.00 C ATOM 1567 C MET A 102 -1.863 6.965 4.552 1.00 0.00 C ATOM 1568 O MET A 102 -1.470 7.848 5.306 1.00 0.00 O ATOM 1569 CB MET A 102 -0.293 5.004 4.339 1.00 0.00 C ATOM 1570 CG MET A 102 0.000 3.505 4.594 1.00 0.00 C ATOM 1571 SD MET A 102 1.320 3.058 5.742 1.00 0.00 S ATOM 1572 CE MET A 102 2.709 3.334 4.634 1.00 0.00 C ATOM 0 H MET A 102 -2.363 3.923 3.774 1.00 0.00 H new ATOM 0 HA MET A 102 -1.640 5.395 5.994 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.276 5.189 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.508 5.599 4.778 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.920 3.046 4.955 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.230 3.046 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.555 2.725 4.952 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.425 3.058 3.619 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.990 4.387 4.658 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.455 7.242 3.385 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.775 8.580 2.908 1.00 0.00 C ATOM 1584 C ILE A 103 -4.060 9.037 3.589 1.00 0.00 C ATOM 1585 O ILE A 103 -4.100 10.168 4.054 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.822 8.571 1.356 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.361 8.601 0.859 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.614 9.701 0.671 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -1.174 8.132 -0.582 1.00 0.00 C ATOM 0 H ILE A 103 -2.731 6.512 2.729 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.011 9.311 3.171 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.371 7.671 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.980 9.618 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.755 7.975 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.566 9.575 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.654 9.664 0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.183 10.664 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.118 8.186 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.520 7.103 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.750 8.772 -1.251 1.00 0.00 H new ATOM 1601 N ALA A 104 -5.082 8.184 3.684 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.335 8.494 4.356 1.00 0.00 C ATOM 1603 C ALA A 104 -6.082 8.887 5.814 1.00 0.00 C ATOM 1604 O ALA A 104 -6.535 9.950 6.237 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.283 7.293 4.249 1.00 0.00 C ATOM 0 H ALA A 104 -5.057 7.244 3.288 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.807 9.348 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.222 7.525 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.478 7.076 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.824 6.424 4.720 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.313 8.079 6.552 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.057 8.279 7.981 1.00 0.00 C ATOM 1613 C GLU A 105 -4.233 9.543 8.232 1.00 0.00 C ATOM 1614 O GLU A 105 -4.162 10.047 9.356 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.389 7.033 8.607 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.844 6.972 8.622 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.332 6.103 9.787 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.267 4.856 9.666 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.039 6.653 10.875 1.00 0.00 O ATOM 0 H GLU A 105 -4.845 7.258 6.168 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.020 8.419 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.737 6.948 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.753 6.155 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.484 6.566 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.438 7.980 8.711 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.557 10.022 7.192 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.721 11.200 7.196 1.00 0.00 C ATOM 1628 C ALA A 106 -3.460 12.417 6.618 1.00 0.00 C ATOM 1629 O ALA A 106 -2.962 13.535 6.750 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.473 10.844 6.389 1.00 0.00 C ATOM 0 H ALA A 106 -3.585 9.568 6.279 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.449 11.487 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.802 11.703 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.964 10.002 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.761 10.573 5.373 1.00 0.00 H new ATOM 1636 N SER A 107 -4.614 12.198 5.976 1.00 0.00 N ATOM 1637 CA SER A 107 -5.423 13.221 5.321 1.00 0.00 C ATOM 1638 C SER A 107 -6.520 13.667 6.278 1.00 0.00 C ATOM 1639 O SER A 107 -6.772 14.869 6.383 1.00 0.00 O ATOM 1640 CB SER A 107 -6.004 12.663 4.008 1.00 0.00 C ATOM 1641 OG SER A 107 -6.695 13.637 3.238 1.00 0.00 O ATOM 0 H SER A 107 -5.021 11.266 5.898 1.00 0.00 H new ATOM 0 HA SER A 107 -4.812 14.087 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.194 12.245 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.685 11.844 4.240 1.00 0.00 H new ATOM 0 HG SER A 107 -6.086 14.019 2.572 1.00 0.00 H new