USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 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 -45:sc= 0.34 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+ -142:sc= 0 (180deg=-0.0614) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.925 F(o=-1.6,f=-0.92) USER MOD Single : A 52 SER OG : rot -40:sc= 0.139 USER MOD Single : A 62 GLN : amide:sc= 0.517 K(o=0.52,f=-0.0013) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.45 X(o=-1.4,f=-1.8) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc=-0.000362 X(o=-0.00036,f=-0.00036) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.281 K(o=0.28,f=-8.1!) 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 -88:sc= 0.242 USER MOD Single : A 84 SER OG : rot 42:sc= 0.247 USER MOD Single : A 85 SER OG : rot -124:sc= 0.00121 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= 2.03 K(o=2,f=-10!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.256 USER MOD Single : A 97 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.49) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.14 (180deg=-0.606) USER MOD Single : A 102 MET CE :methyl -177:sc= -1.35 (180deg=-1.38) USER MOD Single : A 107 SER OG : rot 101:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -5.937 5.487 -7.251 1.00 0.00 N ATOM 180 CA TYR A 16 -5.275 5.009 -8.456 1.00 0.00 C ATOM 181 C TYR A 16 -3.918 4.367 -8.130 1.00 0.00 C ATOM 182 O TYR A 16 -3.729 3.193 -8.441 1.00 0.00 O ATOM 183 CB TYR A 16 -5.240 6.150 -9.492 1.00 0.00 C ATOM 184 CG TYR A 16 -4.727 7.493 -9.002 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.617 8.431 -8.436 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.363 7.811 -9.123 1.00 0.00 C ATOM 187 CE1 TYR A 16 -5.133 9.650 -7.929 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.872 9.026 -8.614 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.751 9.938 -7.988 1.00 0.00 C ATOM 190 OH TYR A 16 -3.253 11.087 -7.458 1.00 0.00 O ATOM 0 HA TYR A 16 -5.838 4.197 -8.915 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.619 5.832 -10.329 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.249 6.291 -9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.674 8.212 -8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.690 7.120 -9.609 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.816 10.365 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.822 9.263 -8.702 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.809 11.366 -6.700 1.00 0.00 H new ATOM 200 N ILE A 17 -3.057 5.052 -7.373 1.00 0.00 N ATOM 201 CA ILE A 17 -1.673 4.684 -7.072 1.00 0.00 C ATOM 202 C ILE A 17 -0.893 4.336 -8.353 1.00 0.00 C ATOM 203 O ILE A 17 -0.922 3.194 -8.825 1.00 0.00 O ATOM 204 CB ILE A 17 -1.524 3.609 -5.972 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.322 3.851 -4.675 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.030 3.489 -5.620 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.153 5.221 -4.025 1.00 0.00 C ATOM 0 H ILE A 17 -3.324 5.930 -6.928 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.218 5.575 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.944 2.696 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.380 3.703 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.035 3.090 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.102 2.735 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.531 3.198 -6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.337 4.450 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.762 5.273 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.105 5.374 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.471 5.996 -4.722 1.00 0.00 H new ATOM 219 N PRO A 18 -0.161 5.315 -8.904 1.00 0.00 N ATOM 220 CA PRO A 18 0.562 5.177 -10.154 1.00 0.00 C ATOM 221 C PRO A 18 1.785 4.296 -9.962 1.00 0.00 C ATOM 222 O PRO A 18 2.836 4.764 -9.522 1.00 0.00 O ATOM 223 CB PRO A 18 0.901 6.607 -10.572 1.00 0.00 C ATOM 224 CG PRO A 18 1.014 7.348 -9.237 1.00 0.00 C ATOM 225 CD PRO A 18 0.045 6.635 -8.331 1.00 0.00 C ATOM 0 HA PRO A 18 -0.016 4.683 -10.935 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.833 6.651 -11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.124 7.036 -11.205 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.030 7.306 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.756 8.402 -9.344 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.443 6.561 -7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.897 7.180 -8.264 1.00 0.00 H new ATOM 233 N LEU A 19 1.649 3.014 -10.306 1.00 0.00 N ATOM 234 CA LEU A 19 2.696 2.016 -10.125 1.00 0.00 C ATOM 235 C LEU A 19 4.029 2.488 -10.690 1.00 0.00 C ATOM 236 O LEU A 19 5.043 2.361 -10.014 1.00 0.00 O ATOM 237 CB LEU A 19 2.279 0.682 -10.773 1.00 0.00 C ATOM 238 CG LEU A 19 1.419 -0.182 -9.839 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.868 -1.401 -10.577 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.250 -0.679 -8.658 1.00 0.00 C ATOM 0 H LEU A 19 0.797 2.639 -10.723 1.00 0.00 H new ATOM 0 HA LEU A 19 2.829 1.865 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.724 0.885 -11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.172 0.125 -11.058 1.00 0.00 H new ATOM 0 HG LEU A 19 0.595 0.439 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.262 -1.997 -9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.253 -1.072 -11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.695 -2.005 -10.950 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.626 -1.290 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.084 -1.277 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.634 0.174 -8.099 1.00 0.00 H new ATOM 252 N ASP A 20 4.026 3.036 -11.905 1.00 0.00 N ATOM 253 CA ASP A 20 5.243 3.450 -12.595 1.00 0.00 C ATOM 254 C ASP A 20 5.878 4.708 -11.986 1.00 0.00 C ATOM 255 O ASP A 20 7.098 4.859 -12.066 1.00 0.00 O ATOM 256 CB ASP A 20 4.936 3.669 -14.074 1.00 0.00 C ATOM 257 CG ASP A 20 6.157 4.163 -14.842 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.942 3.329 -15.334 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.302 5.402 -14.972 1.00 0.00 O ATOM 0 H ASP A 20 3.174 3.205 -12.439 1.00 0.00 H new ATOM 0 HA ASP A 20 5.975 2.651 -12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.584 2.736 -14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.127 4.393 -14.173 1.00 0.00 H new ATOM 264 N ARG A 21 5.105 5.600 -11.343 1.00 0.00 N ATOM 265 CA ARG A 21 5.705 6.692 -10.570 1.00 0.00 C ATOM 266 C ARG A 21 6.517 6.096 -9.427 1.00 0.00 C ATOM 267 O ARG A 21 7.605 6.598 -9.141 1.00 0.00 O ATOM 268 CB ARG A 21 4.621 7.617 -9.999 1.00 0.00 C ATOM 269 CG ARG A 21 4.136 8.727 -10.945 1.00 0.00 C ATOM 270 CD ARG A 21 4.863 10.034 -10.630 1.00 0.00 C ATOM 271 NE ARG A 21 4.760 11.037 -11.703 1.00 0.00 N ATOM 272 CZ ARG A 21 5.588 12.083 -11.804 1.00 0.00 C ATOM 273 NH1 ARG A 21 6.351 12.427 -10.776 1.00 0.00 N ATOM 274 NH2 ARG A 21 5.669 12.788 -12.923 1.00 0.00 N ATOM 0 H ARG A 21 4.085 5.586 -11.344 1.00 0.00 H new ATOM 0 HA ARG A 21 6.347 7.280 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.764 7.009 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.004 8.080 -9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.319 8.440 -11.980 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.060 8.864 -10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.456 10.454 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.915 9.819 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 21 4.024 10.929 -12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.307 11.894 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.982 13.225 -10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.094 12.536 -13.727 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.306 13.582 -12.980 1.00 0.00 H new ATOM 288 N LEU A 22 5.993 5.069 -8.755 1.00 0.00 N ATOM 289 CA LEU A 22 6.707 4.411 -7.673 1.00 0.00 C ATOM 290 C LEU A 22 7.838 3.557 -8.256 1.00 0.00 C ATOM 291 O LEU A 22 7.974 3.381 -9.468 1.00 0.00 O ATOM 292 CB LEU A 22 5.781 3.517 -6.824 1.00 0.00 C ATOM 293 CG LEU A 22 4.380 4.032 -6.463 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.737 3.154 -5.386 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.322 5.482 -5.978 1.00 0.00 C ATOM 0 H LEU A 22 5.071 4.677 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 22 7.108 5.188 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.659 2.572 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.301 3.295 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 22 3.835 3.985 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.746 3.539 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.651 2.132 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.357 3.166 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.290 5.748 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.932 5.590 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.703 6.142 -6.758 1.00 0.00 H new ATOM 307 N SER A 23 8.607 2.953 -7.365 1.00 0.00 N ATOM 308 CA SER A 23 9.524 1.869 -7.646 1.00 0.00 C ATOM 309 C SER A 23 8.815 0.587 -7.218 1.00 0.00 C ATOM 310 O SER A 23 8.005 0.598 -6.282 1.00 0.00 O ATOM 311 CB SER A 23 10.841 2.092 -6.895 1.00 0.00 C ATOM 312 OG SER A 23 11.385 3.366 -7.206 1.00 0.00 O ATOM 0 H SER A 23 8.606 3.220 -6.381 1.00 0.00 H new ATOM 0 HA SER A 23 9.785 1.809 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.671 2.016 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.554 1.312 -7.161 1.00 0.00 H new ATOM 0 HG SER A 23 12.225 3.492 -6.716 1.00 0.00 H new ATOM 318 N ILE A 24 9.058 -0.502 -7.941 1.00 0.00 N ATOM 319 CA ILE A 24 8.550 -1.829 -7.622 1.00 0.00 C ATOM 320 C ILE A 24 9.796 -2.691 -7.449 1.00 0.00 C ATOM 321 O ILE A 24 10.778 -2.536 -8.190 1.00 0.00 O ATOM 322 CB ILE A 24 7.643 -2.426 -8.739 1.00 0.00 C ATOM 323 CG1 ILE A 24 6.472 -1.595 -9.313 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.982 -3.714 -8.209 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.863 -0.269 -9.965 1.00 0.00 C ATOM 0 H ILE A 24 9.628 -0.484 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 24 7.920 -1.789 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 24 8.358 -2.527 -9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.947 -2.201 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.766 -1.390 -8.508 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.344 -4.141 -8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.754 -4.434 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.380 -3.479 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.968 0.233 -10.334 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.358 0.366 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.541 -0.459 -10.797 1.00 0.00 H new ATOM 337 N SER A 25 9.728 -3.662 -6.551 1.00 0.00 N ATOM 338 CA SER A 25 10.640 -4.786 -6.563 1.00 0.00 C ATOM 339 C SER A 25 9.810 -5.972 -6.132 1.00 0.00 C ATOM 340 O SER A 25 9.269 -5.972 -5.031 1.00 0.00 O ATOM 341 CB SER A 25 11.821 -4.546 -5.611 1.00 0.00 C ATOM 342 OG SER A 25 12.794 -5.578 -5.735 1.00 0.00 O ATOM 0 H SER A 25 9.041 -3.690 -5.798 1.00 0.00 H new ATOM 0 HA SER A 25 11.082 -4.945 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.279 -3.581 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.461 -4.502 -4.583 1.00 0.00 H new ATOM 0 HG SER A 25 12.346 -6.449 -5.757 1.00 0.00 H new ATOM 348 N TYR A 26 9.717 -7.013 -6.947 1.00 0.00 N ATOM 349 CA TYR A 26 9.358 -8.294 -6.369 1.00 0.00 C ATOM 350 C TYR A 26 10.584 -8.866 -5.676 1.00 0.00 C ATOM 351 O TYR A 26 11.718 -8.411 -5.883 1.00 0.00 O ATOM 352 CB TYR A 26 8.748 -9.227 -7.410 1.00 0.00 C ATOM 353 CG TYR A 26 7.741 -8.480 -8.251 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.725 -7.704 -7.647 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.914 -8.446 -9.642 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.983 -6.811 -8.421 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.119 -7.607 -10.427 1.00 0.00 C ATOM 358 CZ TYR A 26 6.148 -6.781 -9.825 1.00 0.00 C ATOM 359 OH TYR A 26 5.373 -5.969 -10.588 1.00 0.00 O ATOM 0 H TYR A 26 9.875 -7.001 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 26 8.575 -8.168 -5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.532 -9.636 -8.047 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.266 -10.070 -6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.524 -7.802 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.663 -9.069 -10.107 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.281 -6.141 -7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.249 -7.591 -11.499 1.00 0.00 H new ATOM 0 HH TYR A 26 5.620 -6.073 -11.531 1.00 0.00 H new ATOM 369 N CYS A 27 10.359 -9.845 -4.810 1.00 0.00 N ATOM 370 CA CYS A 27 11.430 -10.590 -4.181 1.00 0.00 C ATOM 371 C CYS A 27 10.926 -11.981 -3.812 1.00 0.00 C ATOM 372 O CYS A 27 9.839 -12.382 -4.237 1.00 0.00 O ATOM 373 CB CYS A 27 11.964 -9.801 -2.980 1.00 0.00 C ATOM 374 SG CYS A 27 13.744 -10.089 -2.874 1.00 0.00 S ATOM 0 H CYS A 27 9.425 -10.142 -4.526 1.00 0.00 H new ATOM 0 HA CYS A 27 12.267 -10.725 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.756 -8.738 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.470 -10.122 -2.063 1.00 0.00 H new ATOM 0 HG CYS A 27 14.231 -9.431 -1.864 1.00 0.00 H new ATOM 585 N LYS A 43 7.098 -12.047 -3.356 1.00 0.00 N ATOM 586 CA LYS A 43 6.927 -10.897 -2.481 1.00 0.00 C ATOM 587 C LYS A 43 6.773 -9.661 -3.341 1.00 0.00 C ATOM 588 O LYS A 43 7.360 -9.631 -4.421 1.00 0.00 O ATOM 589 CB LYS A 43 8.151 -10.812 -1.565 1.00 0.00 C ATOM 590 CG LYS A 43 8.041 -9.812 -0.411 1.00 0.00 C ATOM 591 CD LYS A 43 9.037 -8.662 -0.549 1.00 0.00 C ATOM 592 CE LYS A 43 9.918 -8.565 0.687 1.00 0.00 C ATOM 593 NZ LYS A 43 10.902 -9.663 0.795 1.00 0.00 N ATOM 0 HA LYS A 43 6.037 -10.986 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.341 -11.801 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.019 -10.548 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.028 -9.411 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.213 -10.329 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.657 -8.815 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.500 -7.724 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.448 -7.613 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.286 -8.565 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.998 -9.947 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.578 -10.476 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.823 -9.340 0.437 1.00 0.00 H new ATOM 607 N ALA A 44 6.085 -8.632 -2.846 1.00 0.00 N ATOM 608 CA ALA A 44 6.071 -7.313 -3.447 1.00 0.00 C ATOM 609 C ALA A 44 6.663 -6.374 -2.411 1.00 0.00 C ATOM 610 O ALA A 44 6.331 -6.448 -1.225 1.00 0.00 O ATOM 611 CB ALA A 44 4.650 -6.901 -3.825 1.00 0.00 C ATOM 0 H ALA A 44 5.515 -8.700 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 44 6.649 -7.289 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.666 -5.908 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.242 -7.616 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.026 -6.885 -2.931 1.00 0.00 H new ATOM 617 N GLU A 45 7.551 -5.518 -2.879 1.00 0.00 N ATOM 618 CA GLU A 45 8.175 -4.404 -2.211 1.00 0.00 C ATOM 619 C GLU A 45 7.953 -3.227 -3.160 1.00 0.00 C ATOM 620 O GLU A 45 7.889 -3.383 -4.385 1.00 0.00 O ATOM 621 CB GLU A 45 9.654 -4.754 -1.969 1.00 0.00 C ATOM 622 CG GLU A 45 10.580 -3.624 -1.496 1.00 0.00 C ATOM 623 CD GLU A 45 12.025 -4.135 -1.470 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.299 -5.184 -0.835 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.899 -3.515 -2.116 1.00 0.00 O ATOM 0 H GLU A 45 7.885 -5.600 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 45 7.770 -4.160 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.694 -5.554 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.061 -5.157 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.497 -2.766 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.283 -3.286 -0.503 1.00 0.00 H new ATOM 632 N VAL A 46 7.779 -2.057 -2.574 1.00 0.00 N ATOM 633 CA VAL A 46 7.483 -0.806 -3.238 1.00 0.00 C ATOM 634 C VAL A 46 8.288 0.246 -2.501 1.00 0.00 C ATOM 635 O VAL A 46 8.272 0.288 -1.264 1.00 0.00 O ATOM 636 CB VAL A 46 5.963 -0.537 -3.196 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.591 0.896 -3.601 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.238 -1.514 -4.126 1.00 0.00 C ATOM 0 H VAL A 46 7.845 -1.951 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 46 7.753 -0.810 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 46 5.653 -0.677 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.509 1.019 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.069 1.602 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.931 1.086 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.166 -1.320 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.599 -1.382 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.432 -2.537 -3.802 1.00 0.00 H new ATOM 648 N ARG A 47 8.967 1.106 -3.253 1.00 0.00 N ATOM 649 CA ARG A 47 9.739 2.229 -2.744 1.00 0.00 C ATOM 650 C ARG A 47 9.253 3.478 -3.478 1.00 0.00 C ATOM 651 O ARG A 47 8.927 3.373 -4.655 1.00 0.00 O ATOM 652 CB ARG A 47 11.234 1.911 -2.907 1.00 0.00 C ATOM 653 CG ARG A 47 12.188 3.099 -2.798 1.00 0.00 C ATOM 654 CD ARG A 47 13.616 2.650 -2.416 1.00 0.00 C ATOM 655 NE ARG A 47 14.290 1.841 -3.452 1.00 0.00 N ATOM 656 CZ ARG A 47 14.661 2.233 -4.679 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.471 3.478 -5.102 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.226 1.345 -5.488 1.00 0.00 N ATOM 0 H ARG A 47 8.994 1.036 -4.270 1.00 0.00 H new ATOM 0 HA ARG A 47 9.598 2.413 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.513 1.176 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.381 1.441 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.216 3.632 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.814 3.799 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.220 3.533 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.569 2.073 -1.493 1.00 0.00 H new ATOM 0 HE ARG A 47 14.497 0.873 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.033 4.164 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.764 3.748 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.370 0.386 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.516 1.622 -6.426 1.00 0.00 H new ATOM 672 N PHE A 48 9.114 4.620 -2.810 1.00 0.00 N ATOM 673 CA PHE A 48 8.951 5.911 -3.480 1.00 0.00 C ATOM 674 C PHE A 48 9.548 7.028 -2.629 1.00 0.00 C ATOM 675 O PHE A 48 9.440 6.973 -1.398 1.00 0.00 O ATOM 676 CB PHE A 48 7.472 6.176 -3.808 1.00 0.00 C ATOM 677 CG PHE A 48 6.472 6.148 -2.662 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.817 4.950 -2.315 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.124 7.344 -2.004 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.810 4.950 -1.332 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.126 7.343 -1.011 1.00 0.00 C ATOM 682 CZ PHE A 48 4.453 6.151 -0.695 1.00 0.00 C ATOM 0 H PHE A 48 9.111 4.679 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 48 9.492 5.885 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.406 7.153 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.156 5.438 -4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.089 4.027 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.625 8.265 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.312 4.029 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.878 8.258 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.660 6.157 0.038 1.00 0.00 H new ATOM 692 N HIS A 49 10.118 8.071 -3.246 1.00 0.00 N ATOM 693 CA HIS A 49 10.515 9.272 -2.524 1.00 0.00 C ATOM 694 C HIS A 49 9.257 10.057 -2.220 1.00 0.00 C ATOM 695 O HIS A 49 8.697 10.739 -3.074 1.00 0.00 O ATOM 696 CB HIS A 49 11.577 10.111 -3.250 1.00 0.00 C ATOM 697 CG HIS A 49 12.116 11.225 -2.376 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.367 11.144 -1.034 1.00 0.00 N flip ATOM 699 CD2 HIS A 49 12.430 12.506 -2.764 1.00 0.00 C flip ATOM 700 CE1 HIS A 49 12.812 12.392 -0.586 1.00 0.00 C flip ATOM 701 NE2 HIS A 49 12.823 13.186 -1.674 1.00 0.00 N flip ATOM 0 H HIS A 49 10.312 8.101 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 49 11.012 8.982 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.398 9.465 -3.562 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.145 10.537 -4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.371 12.897 -3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.089 12.663 0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.093 14.170 -1.671 1.00 0.00 H new ATOM 709 N LEU A 50 8.828 9.956 -0.967 1.00 0.00 N ATOM 710 CA LEU A 50 7.589 10.506 -0.455 1.00 0.00 C ATOM 711 C LEU A 50 7.531 12.004 -0.746 1.00 0.00 C ATOM 712 O LEU A 50 6.500 12.512 -1.168 1.00 0.00 O ATOM 713 CB LEU A 50 7.530 10.123 1.036 1.00 0.00 C ATOM 714 CG LEU A 50 6.596 10.927 1.946 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.139 12.338 2.198 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.152 10.901 1.439 1.00 0.00 C ATOM 0 H LEU A 50 9.363 9.465 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 50 6.699 10.103 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.239 9.075 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.539 10.199 1.441 1.00 0.00 H new ATOM 0 HG LEU A 50 6.570 10.441 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.452 12.882 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.116 12.272 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.235 12.866 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.520 11.482 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.110 11.331 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.796 9.871 1.406 1.00 0.00 H new ATOM 728 N ALA A 51 8.638 12.719 -0.549 1.00 0.00 N ATOM 729 CA ALA A 51 8.636 14.165 -0.716 1.00 0.00 C ATOM 730 C ALA A 51 8.410 14.559 -2.183 1.00 0.00 C ATOM 731 O ALA A 51 7.845 15.610 -2.468 1.00 0.00 O ATOM 732 CB ALA A 51 9.942 14.715 -0.163 1.00 0.00 C ATOM 0 H ALA A 51 9.537 12.322 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 51 7.806 14.602 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.959 15.799 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.025 14.462 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.780 14.279 -0.707 1.00 0.00 H new ATOM 738 N SER A 52 8.794 13.688 -3.117 1.00 0.00 N ATOM 739 CA SER A 52 8.613 13.855 -4.549 1.00 0.00 C ATOM 740 C SER A 52 7.244 13.325 -5.015 1.00 0.00 C ATOM 741 O SER A 52 6.971 13.300 -6.217 1.00 0.00 O ATOM 742 CB SER A 52 9.790 13.140 -5.228 1.00 0.00 C ATOM 743 OG SER A 52 9.907 13.478 -6.594 1.00 0.00 O ATOM 0 H SER A 52 9.259 12.812 -2.880 1.00 0.00 H new ATOM 0 HA SER A 52 8.610 14.910 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.715 13.397 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.661 12.062 -5.133 1.00 0.00 H new ATOM 0 HG SER A 52 9.015 13.532 -6.995 1.00 0.00 H new ATOM 749 N ALA A 53 6.374 12.860 -4.113 1.00 0.00 N ATOM 750 CA ALA A 53 5.066 12.351 -4.478 1.00 0.00 C ATOM 751 C ALA A 53 4.107 13.517 -4.737 1.00 0.00 C ATOM 752 O ALA A 53 3.245 13.797 -3.910 1.00 0.00 O ATOM 753 CB ALA A 53 4.560 11.395 -3.394 1.00 0.00 C ATOM 0 H ALA A 53 6.565 12.830 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 53 5.130 11.779 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.577 11.016 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.255 10.561 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.488 11.926 -2.445 1.00 0.00 H new ATOM 759 N ASP A 54 4.216 14.173 -5.897 1.00 0.00 N ATOM 760 CA ASP A 54 3.322 15.253 -6.348 1.00 0.00 C ATOM 761 C ASP A 54 1.854 14.782 -6.373 1.00 0.00 C ATOM 762 O ASP A 54 0.937 15.600 -6.355 1.00 0.00 O ATOM 763 CB ASP A 54 3.714 15.756 -7.761 1.00 0.00 C ATOM 764 CG ASP A 54 5.087 16.433 -7.890 1.00 0.00 C ATOM 765 OD1 ASP A 54 6.082 15.906 -7.347 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.259 17.408 -8.660 1.00 0.00 O ATOM 0 H ASP A 54 4.951 13.963 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 54 3.428 16.071 -5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.686 14.908 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.953 16.461 -8.096 1.00 0.00 H new ATOM 771 N TRP A 55 1.617 13.465 -6.399 1.00 0.00 N ATOM 772 CA TRP A 55 0.312 12.813 -6.354 1.00 0.00 C ATOM 773 C TRP A 55 -0.260 12.655 -4.933 1.00 0.00 C ATOM 774 O TRP A 55 -1.396 12.201 -4.796 1.00 0.00 O ATOM 775 CB TRP A 55 0.446 11.451 -7.056 1.00 0.00 C ATOM 776 CG TRP A 55 1.479 10.522 -6.496 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.784 10.490 -6.844 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.306 9.482 -5.492 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.442 9.530 -6.100 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.574 8.878 -5.245 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.206 9.016 -4.743 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.739 7.877 -4.279 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.348 7.957 -3.826 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.616 7.397 -3.585 1.00 0.00 C ATOM 0 H TRP A 55 2.380 12.790 -6.455 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.407 13.451 -6.868 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.521 10.950 -7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.676 11.627 -8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.244 11.120 -7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.439 9.329 -6.172 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.761 9.479 -4.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.721 7.478 -4.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.518 7.574 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.726 6.598 -2.867 1.00 0.00 H new ATOM 795 N ILE A 56 0.493 13.011 -3.891 1.00 0.00 N ATOM 796 CA ILE A 56 0.039 13.098 -2.500 1.00 0.00 C ATOM 797 C ILE A 56 -0.117 14.577 -2.158 1.00 0.00 C ATOM 798 O ILE A 56 0.567 15.447 -2.697 1.00 0.00 O ATOM 799 CB ILE A 56 1.056 12.378 -1.567 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.202 10.883 -1.931 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.680 12.488 -0.078 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.219 10.114 -1.070 1.00 0.00 C ATOM 0 H ILE A 56 1.477 13.257 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.920 12.600 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 56 2.005 12.890 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.228 10.402 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.497 10.804 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.424 11.968 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.647 13.538 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.299 12.036 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.257 9.074 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.205 10.565 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.916 10.157 -0.024 1.00 0.00 H new ATOM 814 N GLU A 57 -1.051 14.864 -1.260 1.00 0.00 N ATOM 815 CA GLU A 57 -1.334 16.189 -0.741 1.00 0.00 C ATOM 816 C GLU A 57 -0.155 16.658 0.097 1.00 0.00 C ATOM 817 O GLU A 57 0.391 15.889 0.883 1.00 0.00 O ATOM 818 CB GLU A 57 -2.601 16.146 0.128 1.00 0.00 C ATOM 819 CG GLU A 57 -3.695 15.277 -0.444 1.00 0.00 C ATOM 820 CD GLU A 57 -5.043 15.502 0.251 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.733 16.498 -0.082 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.385 14.701 1.153 1.00 0.00 O ATOM 0 H GLU A 57 -1.655 14.147 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.493 16.880 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.339 15.780 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.981 17.160 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.800 15.483 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.410 14.229 -0.349 1.00 0.00 H new ATOM 829 N GLU A 58 0.155 17.947 0.048 1.00 0.00 N ATOM 830 CA GLU A 58 1.146 18.568 0.913 1.00 0.00 C ATOM 831 C GLU A 58 1.024 18.200 2.409 1.00 0.00 C ATOM 832 O GLU A 58 2.054 17.900 3.027 1.00 0.00 O ATOM 833 CB GLU A 58 1.067 20.085 0.732 1.00 0.00 C ATOM 834 CG GLU A 58 2.423 20.737 0.993 1.00 0.00 C ATOM 835 CD GLU A 58 3.019 21.223 -0.316 1.00 0.00 C ATOM 836 OE1 GLU A 58 2.579 22.272 -0.836 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.900 20.517 -0.846 1.00 0.00 O ATOM 0 H GLU A 58 -0.282 18.599 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 58 2.117 18.177 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.736 20.318 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.323 20.498 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.308 21.572 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.096 20.022 1.466 1.00 0.00 H new ATOM 844 N PRO A 59 -0.175 18.202 3.035 1.00 0.00 N ATOM 845 CA PRO A 59 -0.267 17.914 4.465 1.00 0.00 C ATOM 846 C PRO A 59 -0.076 16.420 4.759 1.00 0.00 C ATOM 847 O PRO A 59 0.299 16.047 5.875 1.00 0.00 O ATOM 848 CB PRO A 59 -1.636 18.444 4.894 1.00 0.00 C ATOM 849 CG PRO A 59 -2.497 18.363 3.635 1.00 0.00 C ATOM 850 CD PRO A 59 -1.506 18.449 2.472 1.00 0.00 C ATOM 0 HA PRO A 59 0.528 18.397 5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.057 17.844 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.567 19.468 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.063 17.432 3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.220 19.178 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.745 17.713 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.550 19.429 1.998 1.00 0.00 H new ATOM 858 N VAL A 60 -0.280 15.573 3.750 1.00 0.00 N ATOM 859 CA VAL A 60 -0.225 14.127 3.810 1.00 0.00 C ATOM 860 C VAL A 60 1.211 13.676 3.523 1.00 0.00 C ATOM 861 O VAL A 60 1.701 12.787 4.219 1.00 0.00 O ATOM 862 CB VAL A 60 -1.277 13.585 2.820 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.328 12.064 2.698 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.683 14.036 3.239 1.00 0.00 C ATOM 0 H VAL A 60 -0.502 15.908 2.813 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.471 13.728 4.794 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.968 13.990 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.098 11.782 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.361 11.694 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.562 11.629 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.416 13.647 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.904 13.657 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.729 15.125 3.246 1.00 0.00 H new ATOM 874 N ARG A 61 1.924 14.325 2.584 1.00 0.00 N ATOM 875 CA ARG A 61 3.336 14.070 2.297 1.00 0.00 C ATOM 876 C ARG A 61 4.102 14.114 3.613 1.00 0.00 C ATOM 877 O ARG A 61 4.649 13.109 4.067 1.00 0.00 O ATOM 878 CB ARG A 61 3.940 15.068 1.274 1.00 0.00 C ATOM 879 CG ARG A 61 3.599 14.799 -0.203 1.00 0.00 C ATOM 880 CD ARG A 61 4.561 15.486 -1.197 1.00 0.00 C ATOM 881 NE ARG A 61 4.254 16.902 -1.507 1.00 0.00 N ATOM 882 CZ ARG A 61 4.725 17.555 -2.588 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.633 17.008 -3.389 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.323 18.781 -2.882 1.00 0.00 N ATOM 0 H ARG A 61 1.521 15.054 1.996 1.00 0.00 H new ATOM 0 HA ARG A 61 3.421 13.088 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.600 16.072 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.024 15.061 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.614 13.724 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.583 15.140 -0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.572 15.432 -0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.559 14.920 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 61 3.650 17.413 -0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.990 16.073 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.973 17.523 -4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.643 19.252 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.693 19.255 -3.705 1.00 0.00 H new ATOM 898 N GLN A 62 4.084 15.269 4.274 1.00 0.00 N ATOM 899 CA GLN A 62 4.832 15.452 5.508 1.00 0.00 C ATOM 900 C GLN A 62 4.299 14.545 6.630 1.00 0.00 C ATOM 901 O GLN A 62 5.053 14.271 7.563 1.00 0.00 O ATOM 902 CB GLN A 62 4.858 16.936 5.907 1.00 0.00 C ATOM 903 CG GLN A 62 3.545 17.341 6.565 1.00 0.00 C ATOM 904 CD GLN A 62 3.294 18.845 6.546 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.466 19.528 7.551 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.865 19.375 5.413 1.00 0.00 N ATOM 0 H GLN A 62 3.559 16.090 3.973 1.00 0.00 H new ATOM 0 HA GLN A 62 5.864 15.146 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.685 17.119 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.033 17.552 5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.723 16.837 6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.543 16.993 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.731 18.784 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.669 20.374 5.360 1.00 0.00 H new ATOM 915 N LYS A 63 3.045 14.059 6.569 1.00 0.00 N ATOM 916 CA LYS A 63 2.561 13.093 7.536 1.00 0.00 C ATOM 917 C LYS A 63 3.313 11.778 7.388 1.00 0.00 C ATOM 918 O LYS A 63 3.970 11.389 8.334 1.00 0.00 O ATOM 919 CB LYS A 63 1.044 12.872 7.441 1.00 0.00 C ATOM 920 CG LYS A 63 0.368 13.050 8.805 1.00 0.00 C ATOM 921 CD LYS A 63 0.031 14.519 9.053 1.00 0.00 C ATOM 922 CE LYS A 63 -0.299 14.787 10.523 1.00 0.00 C ATOM 923 NZ LYS A 63 -0.494 16.229 10.793 1.00 0.00 N ATOM 0 H LYS A 63 2.363 14.326 5.859 1.00 0.00 H new ATOM 0 HA LYS A 63 2.753 13.503 8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.616 13.575 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.844 11.870 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.542 12.451 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.026 12.685 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.873 15.141 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.817 14.807 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.202 14.241 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.507 14.406 11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.716 16.367 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.376 16.747 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.280 16.588 10.213 1.00 0.00 H new ATOM 937 N ILE A 64 3.262 11.092 6.246 1.00 0.00 N ATOM 938 CA ILE A 64 3.951 9.841 5.935 1.00 0.00 C ATOM 939 C ILE A 64 5.447 9.966 6.250 1.00 0.00 C ATOM 940 O ILE A 64 6.030 9.001 6.746 1.00 0.00 O ATOM 941 CB ILE A 64 3.602 9.427 4.485 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.205 8.767 4.362 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.589 8.411 3.913 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.069 9.732 4.088 1.00 0.00 C ATOM 0 H ILE A 64 2.699 11.419 5.460 1.00 0.00 H new ATOM 0 HA ILE A 64 3.611 9.022 6.569 1.00 0.00 H new ATOM 0 HB ILE A 64 3.636 10.367 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.237 8.028 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.991 8.228 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.298 8.155 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.591 8.840 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.583 7.512 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.132 9.180 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.004 10.457 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.254 10.254 3.149 1.00 0.00 H new ATOM 956 N ALA A 65 6.053 11.142 6.057 1.00 0.00 N ATOM 957 CA ALA A 65 7.447 11.390 6.404 1.00 0.00 C ATOM 958 C ALA A 65 7.731 11.098 7.885 1.00 0.00 C ATOM 959 O ALA A 65 8.824 10.656 8.236 1.00 0.00 O ATOM 960 CB ALA A 65 7.783 12.845 6.058 1.00 0.00 C ATOM 0 H ALA A 65 5.582 11.951 5.652 1.00 0.00 H new ATOM 0 HA ALA A 65 8.081 10.714 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.823 13.048 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.630 13.010 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.134 13.513 6.625 1.00 0.00 H new ATOM 966 N LEU A 66 6.769 11.410 8.752 1.00 0.00 N ATOM 967 CA LEU A 66 6.847 11.325 10.203 1.00 0.00 C ATOM 968 C LEU A 66 6.143 10.072 10.722 1.00 0.00 C ATOM 969 O LEU A 66 6.756 9.251 11.403 1.00 0.00 O ATOM 970 CB LEU A 66 6.247 12.608 10.808 1.00 0.00 C ATOM 971 CG LEU A 66 6.926 13.892 10.287 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.139 15.140 10.679 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.383 13.998 10.733 1.00 0.00 C ATOM 0 H LEU A 66 5.860 11.749 8.437 1.00 0.00 H new ATOM 0 HA LEU A 66 7.890 11.243 10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.182 12.648 10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.339 12.569 11.893 1.00 0.00 H new ATOM 0 HG LEU A 66 6.928 13.825 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.646 16.025 10.296 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.136 15.085 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.072 15.202 11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.817 14.918 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.430 14.009 11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.943 13.143 10.354 1.00 0.00 H new ATOM 985 N THR A 67 4.855 9.937 10.405 1.00 0.00 N ATOM 986 CA THR A 67 3.914 8.961 10.943 1.00 0.00 C ATOM 987 C THR A 67 4.181 7.556 10.393 1.00 0.00 C ATOM 988 O THR A 67 3.778 6.555 10.991 1.00 0.00 O ATOM 989 CB THR A 67 2.502 9.454 10.577 1.00 0.00 C ATOM 990 OG1 THR A 67 2.234 10.683 11.233 1.00 0.00 O ATOM 991 CG2 THR A 67 1.403 8.471 10.957 1.00 0.00 C ATOM 0 H THR A 67 4.414 10.549 9.719 1.00 0.00 H new ATOM 0 HA THR A 67 4.023 8.880 12.024 1.00 0.00 H new ATOM 0 HB THR A 67 2.495 9.568 9.493 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.335 10.992 10.995 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.434 8.880 10.671 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.565 7.526 10.438 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.422 8.302 12.034 1.00 0.00 H new ATOM 999 N HIS A 68 4.874 7.469 9.260 1.00 0.00 N ATOM 1000 CA HIS A 68 5.291 6.217 8.655 1.00 0.00 C ATOM 1001 C HIS A 68 6.802 6.239 8.454 1.00 0.00 C ATOM 1002 O HIS A 68 7.324 5.513 7.605 1.00 0.00 O ATOM 1003 CB HIS A 68 4.498 5.979 7.368 1.00 0.00 C ATOM 1004 CG HIS A 68 3.021 5.837 7.622 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.384 4.682 8.000 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.075 6.826 7.582 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.076 4.955 8.110 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.843 6.250 7.863 1.00 0.00 N ATOM 0 H HIS A 68 5.166 8.289 8.729 1.00 0.00 H new ATOM 0 HA HIS A 68 5.073 5.371 9.307 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.668 6.808 6.681 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.868 5.078 6.878 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.826 3.778 8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.255 7.869 7.370 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.316 4.231 8.363 1.00 0.00 H new ATOM 1016 N LYS A 69 7.514 7.052 9.246 1.00 0.00 N ATOM 1017 CA LYS A 69 8.965 7.112 9.208 1.00 0.00 C ATOM 1018 C LYS A 69 9.581 5.726 9.336 1.00 0.00 C ATOM 1019 O LYS A 69 10.554 5.437 8.659 1.00 0.00 O ATOM 1020 CB LYS A 69 9.486 8.036 10.309 1.00 0.00 C ATOM 1021 CG LYS A 69 11.012 8.084 10.209 1.00 0.00 C ATOM 1022 CD LYS A 69 11.612 9.295 10.918 1.00 0.00 C ATOM 1023 CE LYS A 69 12.576 9.958 9.933 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.584 10.807 10.592 1.00 0.00 N ATOM 0 H LYS A 69 7.092 7.683 9.928 1.00 0.00 H new ATOM 0 HA LYS A 69 9.260 7.517 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.066 9.036 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.180 7.670 11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.429 7.173 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.303 8.103 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.830 9.992 11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.136 8.991 11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.083 9.186 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.006 10.562 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.207 11.228 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.107 11.564 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.150 10.230 11.246 1.00 0.00 H new ATOM 1038 N ASN A 70 9.010 4.850 10.153 1.00 0.00 N ATOM 1039 CA ASN A 70 9.512 3.494 10.303 1.00 0.00 C ATOM 1040 C ASN A 70 9.534 2.689 8.998 1.00 0.00 C ATOM 1041 O ASN A 70 10.329 1.759 8.880 1.00 0.00 O ATOM 1042 CB ASN A 70 8.707 2.783 11.384 1.00 0.00 C ATOM 1043 CG ASN A 70 9.389 1.488 11.780 1.00 0.00 C ATOM 1044 OD1 ASN A 70 8.890 0.397 11.520 1.00 0.00 O ATOM 1045 ND2 ASN A 70 10.496 1.586 12.489 1.00 0.00 N ATOM 0 H ASN A 70 8.192 5.059 10.725 1.00 0.00 H new ATOM 0 HA ASN A 70 10.558 3.566 10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.605 3.430 12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.700 2.576 11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.957 0.744 12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.892 2.504 12.692 1.00 0.00 H new ATOM 1052 N LYS A 71 8.693 3.020 8.010 1.00 0.00 N ATOM 1053 CA LYS A 71 8.783 2.445 6.674 1.00 0.00 C ATOM 1054 C LYS A 71 9.824 3.176 5.821 1.00 0.00 C ATOM 1055 O LYS A 71 10.406 2.579 4.918 1.00 0.00 O ATOM 1056 CB LYS A 71 7.405 2.490 5.999 1.00 0.00 C ATOM 1057 CG LYS A 71 6.220 1.891 6.775 1.00 0.00 C ATOM 1058 CD LYS A 71 6.230 0.359 6.899 1.00 0.00 C ATOM 1059 CE LYS A 71 4.793 -0.198 6.876 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.689 -1.511 7.554 1.00 0.00 N ATOM 0 H LYS A 71 7.935 3.693 8.120 1.00 0.00 H new ATOM 0 HA LYS A 71 9.105 1.408 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.172 3.531 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.480 1.970 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.207 2.321 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.295 2.194 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.806 -0.073 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.724 0.067 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.122 0.512 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.461 -0.298 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.705 -1.846 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.308 -2.198 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.980 -1.413 8.547 1.00 0.00 H new ATOM 1074 N ILE A 72 10.099 4.457 6.063 1.00 0.00 N ATOM 1075 CA ILE A 72 11.209 5.146 5.419 1.00 0.00 C ATOM 1076 C ILE A 72 12.520 4.464 5.814 1.00 0.00 C ATOM 1077 O ILE A 72 12.710 4.055 6.961 1.00 0.00 O ATOM 1078 CB ILE A 72 11.143 6.660 5.732 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.167 7.331 4.752 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.504 7.380 5.701 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.649 8.691 5.209 1.00 0.00 C ATOM 0 H ILE A 72 9.562 5.039 6.706 1.00 0.00 H new ATOM 0 HA ILE A 72 11.146 5.074 4.333 1.00 0.00 H new ATOM 0 HB ILE A 72 10.794 6.749 6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.663 7.450 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.317 6.667 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.362 8.436 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.169 6.933 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.945 7.281 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.967 9.092 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.121 8.580 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.488 9.375 5.339 1.00 0.00 H new ATOM 1093 N ASN A 73 13.434 4.350 4.847 1.00 0.00 N ATOM 1094 CA ASN A 73 14.739 3.719 5.079 1.00 0.00 C ATOM 1095 C ASN A 73 15.726 4.634 5.811 1.00 0.00 C ATOM 1096 O ASN A 73 16.660 4.123 6.422 1.00 0.00 O ATOM 1097 CB ASN A 73 15.363 3.195 3.774 1.00 0.00 C ATOM 1098 CG ASN A 73 15.779 4.280 2.788 1.00 0.00 C ATOM 1099 OD1 ASN A 73 16.513 5.207 3.109 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.295 4.221 1.565 1.00 0.00 N ATOM 0 H ASN A 73 13.296 4.686 3.894 1.00 0.00 H new ATOM 0 HA ASN A 73 14.540 2.870 5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.237 2.593 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.648 2.533 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.531 4.946 0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.684 3.450 1.295 1.00 0.00 H new ATOM 1107 N LYS A 74 15.521 5.960 5.750 1.00 0.00 N ATOM 1108 CA LYS A 74 16.395 7.091 6.120 1.00 0.00 C ATOM 1109 C LYS A 74 16.236 8.215 5.105 1.00 0.00 C ATOM 1110 O LYS A 74 16.020 9.358 5.492 1.00 0.00 O ATOM 1111 CB LYS A 74 17.898 6.738 6.206 1.00 0.00 C ATOM 1112 CG LYS A 74 18.356 6.406 7.633 1.00 0.00 C ATOM 1113 CD LYS A 74 18.740 7.684 8.389 1.00 0.00 C ATOM 1114 CE LYS A 74 20.180 8.101 8.055 1.00 0.00 C ATOM 1115 NZ LYS A 74 20.541 9.388 8.686 1.00 0.00 N ATOM 0 H LYS A 74 14.630 6.309 5.397 1.00 0.00 H new ATOM 0 HA LYS A 74 16.075 7.388 7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.103 5.886 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.484 7.575 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.558 5.888 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.209 5.728 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.053 8.488 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.643 7.520 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.869 7.326 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.293 8.182 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.520 9.634 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.899 10.133 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.458 9.303 9.719 1.00 0.00 H new ATOM 1129 N ALA A 75 16.325 7.902 3.812 1.00 0.00 N ATOM 1130 CA ALA A 75 16.417 8.841 2.693 1.00 0.00 C ATOM 1131 C ALA A 75 15.127 9.635 2.448 1.00 0.00 C ATOM 1132 O ALA A 75 15.056 10.424 1.504 1.00 0.00 O ATOM 1133 CB ALA A 75 16.786 8.061 1.424 1.00 0.00 C ATOM 0 H ALA A 75 16.335 6.931 3.499 1.00 0.00 H new ATOM 0 HA ALA A 75 17.184 9.572 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.858 8.749 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.745 7.563 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.018 7.316 1.219 1.00 0.00 H new ATOM 1139 N GLY A 76 14.074 9.391 3.228 1.00 0.00 N ATOM 1140 CA GLY A 76 12.737 9.875 2.934 1.00 0.00 C ATOM 1141 C GLY A 76 12.055 9.063 1.829 1.00 0.00 C ATOM 1142 O GLY A 76 10.901 9.337 1.501 1.00 0.00 O ATOM 0 H GLY A 76 14.132 8.846 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.131 9.834 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.790 10.921 2.633 1.00 0.00 H new ATOM 1146 N GLU A 77 12.745 8.083 1.240 1.00 0.00 N ATOM 1147 CA GLU A 77 12.126 7.043 0.438 1.00 0.00 C ATOM 1148 C GLU A 77 11.401 6.115 1.402 1.00 0.00 C ATOM 1149 O GLU A 77 12.020 5.581 2.329 1.00 0.00 O ATOM 1150 CB GLU A 77 13.165 6.287 -0.400 1.00 0.00 C ATOM 1151 CG GLU A 77 13.611 7.089 -1.630 1.00 0.00 C ATOM 1152 CD GLU A 77 13.431 6.278 -2.913 1.00 0.00 C ATOM 1153 OE1 GLU A 77 12.304 6.215 -3.444 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.406 5.642 -3.359 1.00 0.00 O ATOM 0 H GLU A 77 13.759 7.995 1.312 1.00 0.00 H new ATOM 0 HA GLU A 77 11.425 7.475 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.033 6.061 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.746 5.334 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.033 8.011 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.657 7.375 -1.521 1.00 0.00 H new ATOM 1161 N LEU A 78 10.086 6.003 1.223 1.00 0.00 N ATOM 1162 CA LEU A 78 9.190 5.123 1.952 1.00 0.00 C ATOM 1163 C LEU A 78 9.326 3.757 1.305 1.00 0.00 C ATOM 1164 O LEU A 78 9.119 3.672 0.095 1.00 0.00 O ATOM 1165 CB LEU A 78 7.746 5.646 1.806 1.00 0.00 C ATOM 1166 CG LEU A 78 6.758 4.961 2.770 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.857 5.582 4.161 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.314 5.140 2.315 1.00 0.00 C ATOM 0 H LEU A 78 9.594 6.559 0.523 1.00 0.00 H new ATOM 0 HA LEU A 78 9.428 5.076 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.735 6.721 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.411 5.491 0.780 1.00 0.00 H new ATOM 0 HG LEU A 78 7.021 3.903 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.153 5.088 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.870 5.458 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.618 6.644 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.646 4.644 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.074 6.203 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.188 4.702 1.325 1.00 0.00 H new ATOM 1180 N VAL A 79 9.693 2.721 2.058 1.00 0.00 N ATOM 1181 CA VAL A 79 9.815 1.367 1.539 1.00 0.00 C ATOM 1182 C VAL A 79 8.970 0.452 2.416 1.00 0.00 C ATOM 1183 O VAL A 79 9.160 0.397 3.633 1.00 0.00 O ATOM 1184 CB VAL A 79 11.291 0.932 1.445 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.401 -0.372 0.632 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.185 2.033 0.855 1.00 0.00 C ATOM 0 H VAL A 79 9.914 2.802 3.050 1.00 0.00 H new ATOM 0 HA VAL A 79 9.441 1.311 0.517 1.00 0.00 H new ATOM 0 HB VAL A 79 11.653 0.751 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.446 -0.674 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.825 -1.157 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.009 -0.209 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.215 1.680 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.841 2.282 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.134 2.920 1.486 1.00 0.00 H new ATOM 1196 N LEU A 80 8.016 -0.272 1.838 1.00 0.00 N ATOM 1197 CA LEU A 80 7.274 -1.295 2.554 1.00 0.00 C ATOM 1198 C LEU A 80 7.078 -2.507 1.655 1.00 0.00 C ATOM 1199 O LEU A 80 7.278 -2.429 0.439 1.00 0.00 O ATOM 1200 CB LEU A 80 5.968 -0.718 3.129 1.00 0.00 C ATOM 1201 CG LEU A 80 4.739 -0.650 2.201 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.623 0.103 2.931 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.975 0.120 0.907 1.00 0.00 C ATOM 0 H LEU A 80 7.739 -0.164 0.862 1.00 0.00 H new ATOM 0 HA LEU A 80 7.842 -1.639 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.696 -1.312 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.176 0.292 3.483 1.00 0.00 H new ATOM 0 HG LEU A 80 4.497 -1.683 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.744 0.162 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.368 -0.426 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.962 1.110 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.062 0.120 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.256 1.147 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.776 -0.356 0.342 1.00 0.00 H new ATOM 1215 N THR A 81 6.711 -3.628 2.267 1.00 0.00 N ATOM 1216 CA THR A 81 6.568 -4.904 1.597 1.00 0.00 C ATOM 1217 C THR A 81 5.295 -5.559 2.121 1.00 0.00 C ATOM 1218 O THR A 81 4.956 -5.421 3.302 1.00 0.00 O ATOM 1219 CB THR A 81 7.842 -5.758 1.786 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.896 -6.401 3.040 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.143 -4.975 1.660 1.00 0.00 C ATOM 0 H THR A 81 6.501 -3.670 3.264 1.00 0.00 H new ATOM 0 HA THR A 81 6.466 -4.786 0.518 1.00 0.00 H new ATOM 0 HB THR A 81 7.762 -6.482 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.721 -6.927 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.988 -5.648 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.203 -4.527 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.170 -4.190 2.416 1.00 0.00 H new ATOM 1229 N SER A 82 4.565 -6.229 1.240 1.00 0.00 N ATOM 1230 CA SER A 82 3.341 -6.923 1.572 1.00 0.00 C ATOM 1231 C SER A 82 3.336 -8.194 0.734 1.00 0.00 C ATOM 1232 O SER A 82 3.422 -8.114 -0.494 1.00 0.00 O ATOM 1233 CB SER A 82 2.154 -5.980 1.320 1.00 0.00 C ATOM 1234 OG SER A 82 1.290 -5.963 2.430 1.00 0.00 O ATOM 0 H SER A 82 4.818 -6.303 0.255 1.00 0.00 H new ATOM 0 HA SER A 82 3.262 -7.210 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.519 -4.972 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.609 -6.302 0.433 1.00 0.00 H new ATOM 0 HG SER A 82 0.628 -6.680 2.341 1.00 0.00 H new ATOM 1240 N GLU A 83 3.313 -9.360 1.380 1.00 0.00 N ATOM 1241 CA GLU A 83 3.232 -10.640 0.694 1.00 0.00 C ATOM 1242 C GLU A 83 2.375 -11.631 1.473 1.00 0.00 C ATOM 1243 O GLU A 83 2.406 -11.643 2.707 1.00 0.00 O ATOM 1244 CB GLU A 83 4.633 -11.176 0.351 1.00 0.00 C ATOM 1245 CG GLU A 83 5.553 -11.631 1.498 1.00 0.00 C ATOM 1246 CD GLU A 83 5.677 -13.146 1.631 1.00 0.00 C ATOM 1247 OE1 GLU A 83 4.665 -13.815 1.938 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.832 -13.635 1.587 1.00 0.00 O ATOM 0 H GLU A 83 3.350 -9.439 2.396 1.00 0.00 H new ATOM 0 HA GLU A 83 2.725 -10.491 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.507 -12.021 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.157 -10.398 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.546 -11.208 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.175 -11.224 2.436 1.00 0.00 H new ATOM 1255 N SER A 84 1.604 -12.416 0.716 1.00 0.00 N ATOM 1256 CA SER A 84 0.811 -13.558 1.145 1.00 0.00 C ATOM 1257 C SER A 84 0.404 -14.461 -0.037 1.00 0.00 C ATOM 1258 O SER A 84 -0.191 -15.509 0.219 1.00 0.00 O ATOM 1259 CB SER A 84 -0.467 -13.068 1.852 1.00 0.00 C ATOM 1260 OG SER A 84 -0.291 -12.900 3.243 1.00 0.00 O ATOM 0 H SER A 84 1.515 -12.253 -0.287 1.00 0.00 H new ATOM 0 HA SER A 84 1.430 -14.142 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.780 -12.121 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.271 -13.782 1.675 1.00 0.00 H new ATOM 0 HG SER A 84 0.576 -12.477 3.414 1.00 0.00 H new ATOM 1266 N SER A 85 0.648 -14.107 -1.308 1.00 0.00 N ATOM 1267 CA SER A 85 0.071 -14.804 -2.455 1.00 0.00 C ATOM 1268 C SER A 85 1.124 -15.275 -3.457 1.00 0.00 C ATOM 1269 O SER A 85 2.250 -14.776 -3.481 1.00 0.00 O ATOM 1270 CB SER A 85 -0.950 -13.873 -3.131 1.00 0.00 C ATOM 1271 OG SER A 85 -2.266 -14.238 -2.771 1.00 0.00 O ATOM 0 H SER A 85 1.253 -13.327 -1.564 1.00 0.00 H new ATOM 0 HA SER A 85 -0.420 -15.708 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.760 -12.841 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.836 -13.923 -4.214 1.00 0.00 H new ATOM 0 HG SER A 85 -2.791 -14.409 -3.581 1.00 0.00 H new ATOM 1277 N ARG A 86 0.736 -16.205 -4.342 1.00 0.00 N ATOM 1278 CA ARG A 86 1.604 -16.658 -5.435 1.00 0.00 C ATOM 1279 C ARG A 86 1.610 -15.696 -6.633 1.00 0.00 C ATOM 1280 O ARG A 86 2.447 -15.833 -7.527 1.00 0.00 O ATOM 1281 CB ARG A 86 1.257 -18.099 -5.865 1.00 0.00 C ATOM 1282 CG ARG A 86 0.027 -18.260 -6.782 1.00 0.00 C ATOM 1283 CD ARG A 86 -1.183 -18.907 -6.110 1.00 0.00 C ATOM 1284 NE ARG A 86 -1.034 -20.368 -6.003 1.00 0.00 N ATOM 1285 CZ ARG A 86 -2.005 -21.257 -6.235 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -3.277 -20.884 -6.327 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -1.693 -22.533 -6.410 1.00 0.00 N ATOM 0 H ARG A 86 -0.177 -16.659 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 86 2.621 -16.659 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.122 -18.522 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.095 -18.695 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.263 -17.278 -7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.310 -18.860 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.317 -18.482 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.083 -18.674 -6.680 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.120 -20.729 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.529 -19.902 -6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.001 -21.580 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.718 -22.830 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.428 -23.218 -6.587 1.00 0.00 H new ATOM 1301 N TYR A 87 0.627 -14.795 -6.711 1.00 0.00 N ATOM 1302 CA TYR A 87 0.397 -13.906 -7.845 1.00 0.00 C ATOM 1303 C TYR A 87 1.333 -12.702 -7.773 1.00 0.00 C ATOM 1304 O TYR A 87 1.782 -12.350 -6.685 1.00 0.00 O ATOM 1305 CB TYR A 87 -1.035 -13.390 -7.732 1.00 0.00 C ATOM 1306 CG TYR A 87 -2.102 -14.444 -7.518 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -2.338 -15.451 -8.473 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.833 -14.437 -6.318 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -3.293 -16.453 -8.215 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.788 -15.425 -6.059 1.00 0.00 C ATOM 1311 CZ TYR A 87 -4.018 -16.451 -7.001 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.915 -17.440 -6.730 1.00 0.00 O ATOM 0 H TYR A 87 -0.051 -14.663 -5.960 1.00 0.00 H new ATOM 0 HA TYR A 87 0.571 -14.443 -8.777 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.081 -12.681 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.274 -12.837 -8.640 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.787 -15.455 -9.402 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.655 -13.661 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.472 -17.226 -8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.350 -15.403 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.321 -17.282 -5.852 1.00 0.00 H new ATOM 1322 N GLN A 88 1.535 -11.996 -8.889 1.00 0.00 N ATOM 1323 CA GLN A 88 2.386 -10.809 -8.882 1.00 0.00 C ATOM 1324 C GLN A 88 1.613 -9.609 -8.329 1.00 0.00 C ATOM 1325 O GLN A 88 1.817 -9.199 -7.183 1.00 0.00 O ATOM 1326 CB GLN A 88 3.044 -10.576 -10.252 1.00 0.00 C ATOM 1327 CG GLN A 88 2.136 -10.420 -11.487 1.00 0.00 C ATOM 1328 CD GLN A 88 2.516 -11.433 -12.554 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.406 -11.213 -13.374 1.00 0.00 O ATOM 1330 NE2 GLN A 88 1.854 -12.572 -12.554 1.00 0.00 N ATOM 0 H GLN A 88 1.126 -12.223 -9.795 1.00 0.00 H new ATOM 0 HA GLN A 88 3.224 -10.965 -8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.658 -9.678 -10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.720 -11.410 -10.441 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.094 -10.558 -11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.225 -9.410 -11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.119 -12.735 -11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.076 -13.291 -13.243 1.00 0.00 H new ATOM 1339 N PHE A 89 0.664 -9.110 -9.121 1.00 0.00 N ATOM 1340 CA PHE A 89 -0.135 -7.930 -8.854 1.00 0.00 C ATOM 1341 C PHE A 89 -0.949 -8.077 -7.562 1.00 0.00 C ATOM 1342 O PHE A 89 -1.302 -7.068 -6.976 1.00 0.00 O ATOM 1343 CB PHE A 89 -1.001 -7.636 -10.095 1.00 0.00 C ATOM 1344 CG PHE A 89 -2.290 -6.883 -9.829 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.265 -5.524 -9.450 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.517 -7.568 -9.926 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.475 -4.875 -9.140 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.721 -6.907 -9.642 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.698 -5.562 -9.245 1.00 0.00 C ATOM 0 H PHE A 89 0.425 -9.546 -10.011 1.00 0.00 H new ATOM 0 HA PHE A 89 0.512 -7.071 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.405 -7.062 -10.804 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.246 -8.582 -10.577 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.329 -4.988 -9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.531 -8.607 -10.220 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.464 -3.844 -8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.661 -7.431 -9.729 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.623 -5.052 -9.019 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.240 -9.283 -7.052 1.00 0.00 N ATOM 1360 CA ARG A 90 -2.018 -9.425 -5.810 1.00 0.00 C ATOM 1361 C ARG A 90 -1.255 -8.899 -4.593 1.00 0.00 C ATOM 1362 O ARG A 90 -1.829 -8.202 -3.755 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.377 -10.895 -5.569 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.528 -11.066 -4.568 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.891 -10.934 -5.259 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.742 -9.900 -4.652 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.415 -9.977 -3.498 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.403 -11.059 -2.724 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.138 -8.940 -3.103 1.00 0.00 N ATOM 0 H ARG A 90 -0.952 -10.166 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.924 -8.832 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.653 -11.358 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.498 -11.424 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.454 -12.042 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.443 -10.317 -3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.738 -10.699 -6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.408 -11.893 -5.218 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.829 -9.025 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.864 -11.879 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.933 -11.069 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.177 -8.097 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.656 -8.984 -2.226 1.00 0.00 H new ATOM 1383 N ASN A 91 0.015 -9.281 -4.472 1.00 0.00 N ATOM 1384 CA ASN A 91 0.866 -8.869 -3.362 1.00 0.00 C ATOM 1385 C ASN A 91 1.111 -7.368 -3.483 1.00 0.00 C ATOM 1386 O ASN A 91 0.945 -6.612 -2.527 1.00 0.00 O ATOM 1387 CB ASN A 91 2.192 -9.636 -3.423 1.00 0.00 C ATOM 1388 CG ASN A 91 2.052 -11.107 -3.070 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.513 -11.474 -2.031 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.493 -11.990 -3.938 1.00 0.00 N ATOM 0 H ASN A 91 0.483 -9.888 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 91 0.387 -9.087 -2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.609 -9.548 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.904 -9.172 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.388 -12.987 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.940 -11.678 -4.800 1.00 0.00 H new ATOM 1397 N LEU A 92 1.457 -6.938 -4.699 1.00 0.00 N ATOM 1398 CA LEU A 92 1.662 -5.544 -5.059 1.00 0.00 C ATOM 1399 C LEU A 92 0.392 -4.721 -4.759 1.00 0.00 C ATOM 1400 O LEU A 92 0.490 -3.632 -4.206 1.00 0.00 O ATOM 1401 CB LEU A 92 2.098 -5.518 -6.531 1.00 0.00 C ATOM 1402 CG LEU A 92 2.385 -4.118 -7.096 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.539 -3.444 -6.349 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.737 -4.268 -8.580 1.00 0.00 C ATOM 0 H LEU A 92 1.605 -7.576 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 92 2.445 -5.074 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.994 -6.129 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.319 -5.985 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 92 1.504 -3.489 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.718 -2.455 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.282 -3.347 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.440 -4.050 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.945 -3.286 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.617 -4.902 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.899 -4.722 -9.109 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.807 -5.250 -5.021 1.00 0.00 N ATOM 1417 CA ALA A 93 -2.078 -4.585 -4.748 1.00 0.00 C ATOM 1418 C ALA A 93 -2.234 -4.273 -3.264 1.00 0.00 C ATOM 1419 O ALA A 93 -2.757 -3.204 -2.944 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.269 -5.428 -5.234 1.00 0.00 C ATOM 0 H ALA A 93 -0.920 -6.174 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.071 -3.646 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.199 -4.904 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.187 -5.588 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.266 -6.391 -4.723 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.797 -5.171 -2.371 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.804 -4.936 -0.939 1.00 0.00 C ATOM 1428 C GLU A 94 -0.809 -3.839 -0.574 1.00 0.00 C ATOM 1429 O GLU A 94 -1.178 -2.945 0.180 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.505 -6.225 -0.164 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.957 -6.037 1.286 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.788 -7.310 2.107 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.633 -7.660 2.429 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.805 -7.970 2.436 1.00 0.00 O ATOM 0 H GLU A 94 -1.428 -6.085 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.803 -4.604 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.026 -7.068 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.439 -6.451 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.382 -5.232 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.003 -5.731 1.303 1.00 0.00 H new ATOM 1441 N CYS A 95 0.403 -3.845 -1.148 1.00 0.00 N ATOM 1442 CA CYS A 95 1.358 -2.746 -0.982 1.00 0.00 C ATOM 1443 C CYS A 95 0.656 -1.409 -1.230 1.00 0.00 C ATOM 1444 O CYS A 95 0.676 -0.523 -0.370 1.00 0.00 O ATOM 1445 CB CYS A 95 2.572 -2.910 -1.913 1.00 0.00 C ATOM 1446 SG CYS A 95 3.794 -4.047 -1.206 1.00 0.00 S ATOM 0 H CYS A 95 0.744 -4.606 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 95 1.732 -2.766 0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.242 -3.284 -2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.034 -1.938 -2.087 1.00 0.00 H new ATOM 0 HG CYS A 95 4.801 -4.162 -2.020 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.005 -1.285 -2.384 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.699 -0.060 -2.756 1.00 0.00 C ATOM 1454 C LEU A 96 -1.923 0.185 -1.868 1.00 0.00 C ATOM 1455 O LEU A 96 -2.255 1.338 -1.604 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.107 -0.063 -4.233 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.027 -0.467 -5.260 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.557 -0.086 -6.646 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.391 0.085 -5.047 1.00 0.00 C ATOM 0 H LEU A 96 -0.071 -2.028 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 96 0.005 0.757 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.954 -0.740 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.460 0.936 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 96 0.124 -1.539 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.179 -0.356 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.488 -0.619 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.739 0.988 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.046 -0.278 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.364 1.174 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.770 -0.250 -4.081 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.592 -0.865 -1.380 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.718 -0.736 -0.460 1.00 0.00 C ATOM 1473 C GLN A 97 -3.246 -0.064 0.824 1.00 0.00 C ATOM 1474 O GLN A 97 -3.932 0.829 1.318 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.349 -2.111 -0.155 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.808 -2.013 0.315 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.750 -1.554 -0.795 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -6.636 -1.986 -1.946 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.675 -0.657 -0.503 1.00 0.00 N ATOM 0 H GLN A 97 -2.364 -1.831 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.486 -0.121 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.303 -2.732 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.759 -2.613 0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.133 -2.986 0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.871 -1.317 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.762 -0.306 0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.302 -0.316 -1.231 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.068 -0.444 1.340 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.571 0.182 2.557 1.00 0.00 C ATOM 1490 C LYS A 98 -1.286 1.618 2.222 1.00 0.00 C ATOM 1491 O LYS A 98 -1.822 2.468 2.901 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.330 -0.457 3.182 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.392 -1.987 3.258 1.00 0.00 C ATOM 1494 CD LYS A 98 0.973 -2.645 3.008 1.00 0.00 C ATOM 1495 CE LYS A 98 1.479 -3.530 4.146 1.00 0.00 C ATOM 1496 NZ LYS A 98 1.311 -2.982 5.507 1.00 0.00 N ATOM 0 H LYS A 98 -1.462 -1.162 0.942 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.342 0.055 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.547 -0.167 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.195 -0.058 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.760 -2.284 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.109 -2.355 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.910 -3.246 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.708 -1.862 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.962 -4.488 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.538 -3.730 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.019 -3.404 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.438 -1.950 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.357 -3.206 5.856 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.498 1.903 1.178 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.172 3.252 0.735 1.00 0.00 C ATOM 1512 C ILE A 99 -1.412 4.155 0.739 1.00 0.00 C ATOM 1513 O ILE A 99 -1.318 5.279 1.232 1.00 0.00 O ATOM 1514 CB ILE A 99 0.543 3.147 -0.632 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.955 2.565 -0.391 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.625 4.471 -1.409 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.594 1.960 -1.643 1.00 0.00 C ATOM 0 H ILE A 99 -0.061 1.179 0.608 1.00 0.00 H new ATOM 0 HA ILE A 99 0.513 3.739 1.429 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.055 2.492 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.603 3.354 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.895 1.799 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.141 4.306 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.381 4.841 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.173 5.206 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.582 1.572 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.968 1.149 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.687 2.728 -2.411 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.563 3.676 0.256 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.823 4.413 0.239 1.00 0.00 C ATOM 1531 C ARG A 100 -4.308 4.666 1.658 1.00 0.00 C ATOM 1532 O ARG A 100 -4.697 5.786 1.980 1.00 0.00 O ATOM 1533 CB ARG A 100 -4.877 3.614 -0.540 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.558 3.559 -2.041 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.245 2.391 -2.752 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.695 2.574 -2.782 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.605 1.793 -3.362 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.266 0.602 -3.855 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -8.853 2.234 -3.433 1.00 0.00 N ATOM 0 H ARG A 100 -2.642 2.741 -0.143 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.664 5.374 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.931 2.600 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.858 4.067 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.867 4.494 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.480 3.476 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.865 2.306 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.003 1.458 -2.243 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.053 3.399 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.301 0.279 -3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.972 0.013 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.093 3.148 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.573 1.659 -3.871 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.294 3.649 2.511 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.710 3.761 3.902 1.00 0.00 C ATOM 1555 C ASP A 101 -3.799 4.683 4.707 1.00 0.00 C ATOM 1556 O ASP A 101 -4.285 5.477 5.509 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.783 2.383 4.576 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.235 1.940 4.656 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.017 2.613 5.371 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.585 0.945 3.987 1.00 0.00 O ATOM 0 H ASP A 101 -3.989 2.711 2.252 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.707 4.202 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.200 1.657 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.350 2.430 5.575 1.00 0.00 H new ATOM 1565 N MET A 102 -2.491 4.616 4.459 1.00 0.00 N ATOM 1566 CA MET A 102 -1.450 5.446 5.057 1.00 0.00 C ATOM 1567 C MET A 102 -1.679 6.913 4.672 1.00 0.00 C ATOM 1568 O MET A 102 -1.340 7.827 5.419 1.00 0.00 O ATOM 1569 CB MET A 102 -0.056 4.975 4.576 1.00 0.00 C ATOM 1570 CG MET A 102 0.192 3.458 4.753 1.00 0.00 C ATOM 1571 SD MET A 102 1.703 2.867 5.545 1.00 0.00 S ATOM 1572 CE MET A 102 2.858 3.420 4.283 1.00 0.00 C ATOM 0 H MET A 102 -2.109 3.941 3.796 1.00 0.00 H new ATOM 0 HA MET A 102 -1.492 5.353 6.142 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.059 5.231 3.523 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.710 5.524 5.123 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.648 3.058 5.322 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.150 3.007 3.762 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.867 3.105 4.550 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.584 2.984 3.322 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.825 4.507 4.211 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.260 7.149 3.493 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.627 8.461 2.990 1.00 0.00 C ATOM 1584 C ILE A 103 -3.951 8.886 3.613 1.00 0.00 C ATOM 1585 O ILE A 103 -4.079 10.045 3.986 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.617 8.415 1.446 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.152 8.561 0.990 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.516 9.476 0.797 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.899 8.042 -0.426 1.00 0.00 C ATOM 0 H ILE A 103 -2.494 6.398 2.843 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.910 9.230 3.277 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.035 7.463 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.868 9.612 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.508 8.023 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.460 9.386 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.546 9.328 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.181 10.469 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.152 8.176 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.152 6.983 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.517 8.596 -1.132 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.915 7.979 3.760 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.197 8.259 4.381 1.00 0.00 C ATOM 1603 C ALA A 104 -5.985 8.739 5.818 1.00 0.00 C ATOM 1604 O ALA A 104 -6.492 9.795 6.191 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.057 6.995 4.328 1.00 0.00 C ATOM 0 H ALA A 104 -4.820 7.014 3.444 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.715 9.054 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.023 7.193 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.207 6.700 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.555 6.190 4.865 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.174 8.016 6.594 1.00 0.00 N ATOM 1612 CA GLU A 105 -4.963 8.308 8.010 1.00 0.00 C ATOM 1613 C GLU A 105 -4.219 9.631 8.207 1.00 0.00 C ATOM 1614 O GLU A 105 -4.368 10.313 9.225 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.303 7.113 8.713 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.816 6.926 8.404 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.186 5.761 9.185 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.346 4.578 8.795 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.557 5.992 10.243 1.00 0.00 O ATOM 0 H GLU A 105 -4.646 7.212 6.256 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.931 8.451 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.424 7.231 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.835 6.205 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.691 6.750 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.282 7.846 8.640 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.423 10.007 7.209 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.704 11.260 7.132 1.00 0.00 C ATOM 1628 C ALA A 106 -3.586 12.403 6.608 1.00 0.00 C ATOM 1629 O ALA A 106 -3.291 13.566 6.899 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.495 11.011 6.227 1.00 0.00 C ATOM 0 H ALA A 106 -3.259 9.412 6.397 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.387 11.581 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.915 11.929 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.871 10.230 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.837 10.697 5.241 1.00 0.00 H new ATOM 1636 N SER A 107 -4.640 12.092 5.847 1.00 0.00 N ATOM 1637 CA SER A 107 -5.495 13.067 5.171 1.00 0.00 C ATOM 1638 C SER A 107 -6.589 13.519 6.132 1.00 0.00 C ATOM 1639 O SER A 107 -6.706 14.721 6.384 1.00 0.00 O ATOM 1640 CB SER A 107 -6.044 12.480 3.859 1.00 0.00 C ATOM 1641 OG SER A 107 -6.761 13.422 3.078 1.00 0.00 O ATOM 0 H SER A 107 -4.928 11.128 5.681 1.00 0.00 H new ATOM 0 HA SER A 107 -4.920 13.949 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.215 12.087 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.697 11.639 4.091 1.00 0.00 H new ATOM 0 HG SER A 107 -6.187 13.752 2.355 1.00 0.00 H new