USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.185 X(o=0.18,f=-0.017) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -39:sc= 0.0441 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 34:sc= -0.246 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -121:sc= -4.91! (180deg=-7.39!) USER MOD Single : A 50 TYR OH : rot 0:sc= -1.28 USER MOD Single : A 51 CYS SG : rot 90:sc= -4.29! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.806 K(o=0.81,f=-2.6!) USER MOD Single : A 68 MET CE :methyl -126:sc= -4.75! (180deg=-6.72!) USER MOD Single : A 69 ASN : amide:sc= -0.888! X(o=-0.89!,f=-0.9) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -11.6! (180deg=-13.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.43 K(o=-2.4,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.822 -0.561 -4.942 1.00 0.00 N ATOM 164 CA PRO A 8 -8.381 -0.296 -4.963 1.00 0.00 C ATOM 165 C PRO A 8 -7.561 -1.518 -4.562 1.00 0.00 C ATOM 166 O PRO A 8 -7.899 -2.218 -3.608 1.00 0.00 O ATOM 167 CB PRO A 8 -8.210 0.823 -3.932 1.00 0.00 C ATOM 168 CG PRO A 8 -9.366 0.664 -3.006 1.00 0.00 C ATOM 169 CD PRO A 8 -10.503 0.150 -3.846 1.00 0.00 C ATOM 0 HA PRO A 8 -8.030 -0.032 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.262 0.731 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.216 1.804 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.129 -0.033 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.625 1.614 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.154 -0.515 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.126 0.963 -4.220 1.00 0.00 H new ATOM 177 N ARG A 9 -6.482 -1.769 -5.298 1.00 0.00 N ATOM 178 CA ARG A 9 -5.616 -2.908 -5.019 1.00 0.00 C ATOM 179 C ARG A 9 -4.160 -2.466 -4.900 1.00 0.00 C ATOM 180 O ARG A 9 -3.241 -3.271 -5.051 1.00 0.00 O ATOM 181 CB ARG A 9 -5.752 -3.961 -6.121 1.00 0.00 C ATOM 182 CG ARG A 9 -7.003 -4.814 -5.995 1.00 0.00 C ATOM 183 CD ARG A 9 -7.496 -5.283 -7.356 1.00 0.00 C ATOM 184 NE ARG A 9 -8.752 -6.021 -7.259 1.00 0.00 N ATOM 185 CZ ARG A 9 -9.588 -6.187 -8.277 1.00 0.00 C ATOM 186 NH1 ARG A 9 -9.303 -5.669 -9.464 1.00 0.00 N ATOM 187 NH2 ARG A 9 -10.712 -6.872 -8.110 1.00 0.00 N ATOM 0 H ARG A 9 -6.188 -1.199 -6.091 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.925 -3.344 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.758 -3.462 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.876 -4.610 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.794 -5.678 -5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.787 -4.241 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.632 -4.421 -8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.738 -5.916 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.001 -6.432 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.440 -5.142 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.947 -5.798 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.935 -7.272 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.353 -6.999 -8.893 1.00 0.00 H new ATOM 201 N THR A 10 -3.957 -1.181 -4.628 1.00 0.00 N ATOM 202 CA THR A 10 -2.615 -0.631 -4.491 1.00 0.00 C ATOM 203 C THR A 10 -2.418 0.004 -3.118 1.00 0.00 C ATOM 204 O THR A 10 -3.306 0.686 -2.606 1.00 0.00 O ATOM 205 CB THR A 10 -2.324 0.422 -5.577 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.782 -0.049 -6.849 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.836 0.727 -5.649 1.00 0.00 C ATOM 0 H THR A 10 -4.706 -0.501 -4.498 1.00 0.00 H new ATOM 0 HA THR A 10 -1.920 -1.463 -4.607 1.00 0.00 H new ATOM 0 HB THR A 10 -2.854 1.338 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.595 0.626 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.655 1.473 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.496 1.112 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.289 -0.185 -5.889 1.00 0.00 H new ATOM 215 N LEU A 11 -1.250 -0.225 -2.528 1.00 0.00 N ATOM 216 CA LEU A 11 -0.936 0.326 -1.214 1.00 0.00 C ATOM 217 C LEU A 11 0.421 1.020 -1.224 1.00 0.00 C ATOM 218 O LEU A 11 1.380 0.521 -1.814 1.00 0.00 O ATOM 219 CB LEU A 11 -0.948 -0.781 -0.158 1.00 0.00 C ATOM 220 CG LEU A 11 -1.914 -1.940 -0.413 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.529 -3.149 0.426 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.345 -1.515 -0.115 1.00 0.00 C ATOM 0 H LEU A 11 -0.505 -0.788 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.699 1.064 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.060 -1.186 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.194 -0.334 0.805 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.850 -2.218 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.227 -3.964 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.519 -3.466 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.565 -2.885 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.019 -2.351 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.424 -1.211 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.618 -0.679 -0.758 1.00 0.00 H new ATOM 234 N TYR A 12 0.497 2.172 -0.568 1.00 0.00 N ATOM 235 CA TYR A 12 1.737 2.935 -0.501 1.00 0.00 C ATOM 236 C TYR A 12 2.495 2.631 0.788 1.00 0.00 C ATOM 237 O TYR A 12 1.949 2.749 1.886 1.00 0.00 O ATOM 238 CB TYR A 12 1.445 4.433 -0.593 1.00 0.00 C ATOM 239 CG TYR A 12 2.528 5.300 0.007 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.638 5.454 1.384 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.443 5.964 -0.800 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.626 6.245 1.939 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.434 6.756 -0.255 1.00 0.00 C ATOM 244 CZ TYR A 12 4.522 6.894 1.115 1.00 0.00 C ATOM 245 OH TYR A 12 5.508 7.682 1.662 1.00 0.00 O ATOM 0 H TYR A 12 -0.287 2.599 -0.074 1.00 0.00 H new ATOM 0 HA TYR A 12 2.360 2.641 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.312 4.705 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.502 4.642 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.939 4.946 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.378 5.859 -1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.696 6.354 3.011 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.137 7.265 -0.898 1.00 0.00 H new ATOM 0 HH TYR A 12 6.055 8.066 0.945 1.00 0.00 H new ATOM 255 N VAL A 13 3.758 2.242 0.647 1.00 0.00 N ATOM 256 CA VAL A 13 4.593 1.923 1.799 1.00 0.00 C ATOM 257 C VAL A 13 5.681 2.972 1.995 1.00 0.00 C ATOM 258 O VAL A 13 6.446 3.268 1.078 1.00 0.00 O ATOM 259 CB VAL A 13 5.251 0.538 1.650 1.00 0.00 C ATOM 260 CG1 VAL A 13 6.044 0.187 2.898 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.200 -0.522 1.359 1.00 0.00 C ATOM 0 H VAL A 13 4.226 2.140 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 13 3.939 1.914 2.671 1.00 0.00 H new ATOM 0 HB VAL A 13 5.942 0.572 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.501 -0.795 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.823 0.933 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.377 0.170 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.682 -1.494 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.482 -0.557 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.681 -0.275 0.433 1.00 0.00 H new ATOM 271 N GLY A 14 5.746 3.531 3.200 1.00 0.00 N ATOM 272 CA GLY A 14 6.745 4.542 3.496 1.00 0.00 C ATOM 273 C GLY A 14 7.494 4.257 4.783 1.00 0.00 C ATOM 274 O GLY A 14 7.115 3.369 5.546 1.00 0.00 O ATOM 0 H GLY A 14 5.125 3.302 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.455 4.599 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.261 5.516 3.569 1.00 0.00 H new ATOM 278 N ASN A 15 8.562 5.010 5.024 1.00 0.00 N ATOM 279 CA ASN A 15 9.368 4.832 6.226 1.00 0.00 C ATOM 280 C ASN A 15 10.074 3.480 6.212 1.00 0.00 C ATOM 281 O ASN A 15 10.151 2.798 7.235 1.00 0.00 O ATOM 282 CB ASN A 15 8.492 4.951 7.474 1.00 0.00 C ATOM 283 CG ASN A 15 9.269 5.442 8.681 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.312 6.641 8.959 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.885 4.515 9.405 1.00 0.00 N ATOM 0 H ASN A 15 8.889 5.750 4.403 1.00 0.00 H new ATOM 0 HA ASN A 15 10.125 5.616 6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.668 5.636 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.051 3.980 7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.421 4.785 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.822 3.533 9.137 1.00 0.00 H new ATOM 292 N LEU A 16 10.587 3.098 5.048 1.00 0.00 N ATOM 293 CA LEU A 16 11.288 1.827 4.901 1.00 0.00 C ATOM 294 C LEU A 16 12.778 1.991 5.183 1.00 0.00 C ATOM 295 O LEU A 16 13.344 3.065 4.980 1.00 0.00 O ATOM 296 CB LEU A 16 11.082 1.269 3.492 1.00 0.00 C ATOM 297 CG LEU A 16 9.640 0.944 3.103 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.511 0.808 1.594 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.175 -0.329 3.796 1.00 0.00 C ATOM 0 H LEU A 16 10.531 3.650 4.192 1.00 0.00 H new ATOM 0 HA LEU A 16 10.875 1.126 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.477 1.990 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.678 0.362 3.392 1.00 0.00 H new ATOM 0 HG LEU A 16 9.003 1.766 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.477 0.577 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.803 1.744 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.160 0.006 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.146 -0.545 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.817 -1.159 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.228 -0.195 4.876 1.00 0.00 H new ATOM 311 N SER A 17 13.409 0.917 5.650 1.00 0.00 N ATOM 312 CA SER A 17 14.833 0.943 5.961 1.00 0.00 C ATOM 313 C SER A 17 15.667 0.709 4.705 1.00 0.00 C ATOM 314 O SER A 17 15.338 -0.142 3.878 1.00 0.00 O ATOM 315 CB SER A 17 15.166 -0.116 7.013 1.00 0.00 C ATOM 316 OG SER A 17 16.561 -0.178 7.252 1.00 0.00 O ATOM 0 H SER A 17 12.956 0.019 5.821 1.00 0.00 H new ATOM 0 HA SER A 17 15.075 1.928 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.645 0.114 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.808 -1.090 6.679 1.00 0.00 H new ATOM 0 HG SER A 17 16.747 -0.861 7.929 1.00 0.00 H new ATOM 322 N ARG A 18 16.749 1.469 4.571 1.00 0.00 N ATOM 323 CA ARG A 18 17.630 1.346 3.416 1.00 0.00 C ATOM 324 C ARG A 18 17.885 -0.120 3.080 1.00 0.00 C ATOM 325 O ARG A 18 18.078 -0.477 1.917 1.00 0.00 O ATOM 326 CB ARG A 18 18.959 2.056 3.684 1.00 0.00 C ATOM 327 CG ARG A 18 19.613 2.618 2.432 1.00 0.00 C ATOM 328 CD ARG A 18 20.496 1.583 1.754 1.00 0.00 C ATOM 329 NE ARG A 18 21.694 1.289 2.536 1.00 0.00 N ATOM 330 CZ ARG A 18 22.751 2.091 2.591 1.00 0.00 C ATOM 331 NH1 ARG A 18 22.759 3.231 1.915 1.00 0.00 N ATOM 332 NH2 ARG A 18 23.803 1.753 3.327 1.00 0.00 N ATOM 0 H ARG A 18 17.036 2.176 5.248 1.00 0.00 H new ATOM 0 HA ARG A 18 17.138 1.816 2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.791 2.868 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.646 1.356 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.843 2.953 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.209 3.492 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.928 0.665 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.787 1.945 0.768 1.00 0.00 H new ATOM 0 HE ARG A 18 21.720 0.420 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.952 3.495 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.573 3.845 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.799 0.877 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.615 2.369 3.369 1.00 0.00 H new ATOM 346 N ASP A 19 17.883 -0.965 4.105 1.00 0.00 N ATOM 347 CA ASP A 19 18.114 -2.394 3.919 1.00 0.00 C ATOM 348 C ASP A 19 16.940 -3.043 3.191 1.00 0.00 C ATOM 349 O ASP A 19 17.126 -3.922 2.349 1.00 0.00 O ATOM 350 CB ASP A 19 18.333 -3.077 5.269 1.00 0.00 C ATOM 351 CG ASP A 19 19.651 -2.686 5.907 1.00 0.00 C ATOM 352 OD1 ASP A 19 19.690 -1.648 6.602 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.645 -3.418 5.714 1.00 0.00 O ATOM 0 H ASP A 19 17.724 -0.686 5.073 1.00 0.00 H new ATOM 0 HA ASP A 19 19.010 -2.516 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.516 -2.817 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.304 -4.158 5.135 1.00 0.00 H new ATOM 358 N VAL A 20 15.729 -2.604 3.523 1.00 0.00 N ATOM 359 CA VAL A 20 14.525 -3.142 2.902 1.00 0.00 C ATOM 360 C VAL A 20 14.629 -3.109 1.382 1.00 0.00 C ATOM 361 O VAL A 20 15.090 -2.126 0.800 1.00 0.00 O ATOM 362 CB VAL A 20 13.272 -2.359 3.336 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.071 -2.763 2.495 1.00 0.00 C ATOM 364 CG2 VAL A 20 12.995 -2.577 4.817 1.00 0.00 C ATOM 0 H VAL A 20 15.557 -1.878 4.218 1.00 0.00 H new ATOM 0 HA VAL A 20 14.432 -4.176 3.235 1.00 0.00 H new ATOM 0 HB VAL A 20 13.455 -1.296 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.195 -2.199 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.274 -2.551 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.882 -3.829 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.106 -2.017 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.832 -3.638 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.848 -2.232 5.401 1.00 0.00 H new ATOM 374 N THR A 21 14.197 -4.190 0.741 1.00 0.00 N ATOM 375 CA THR A 21 14.242 -4.286 -0.713 1.00 0.00 C ATOM 376 C THR A 21 12.883 -4.686 -1.280 1.00 0.00 C ATOM 377 O THR A 21 11.979 -5.066 -0.537 1.00 0.00 O ATOM 378 CB THR A 21 15.298 -5.307 -1.176 1.00 0.00 C ATOM 379 OG1 THR A 21 15.201 -6.502 -0.393 1.00 0.00 O ATOM 380 CG2 THR A 21 16.699 -4.728 -1.055 1.00 0.00 C ATOM 0 H THR A 21 13.812 -5.012 1.206 1.00 0.00 H new ATOM 0 HA THR A 21 14.513 -3.299 -1.087 1.00 0.00 H new ATOM 0 HB THR A 21 15.108 -5.543 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.875 -7.147 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.428 -5.467 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.779 -3.835 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.896 -4.466 -0.015 1.00 0.00 H new ATOM 388 N GLU A 22 12.748 -4.596 -2.599 1.00 0.00 N ATOM 389 CA GLU A 22 11.500 -4.948 -3.265 1.00 0.00 C ATOM 390 C GLU A 22 11.140 -6.409 -3.009 1.00 0.00 C ATOM 391 O GLU A 22 9.977 -6.744 -2.786 1.00 0.00 O ATOM 392 CB GLU A 22 11.608 -4.694 -4.769 1.00 0.00 C ATOM 393 CG GLU A 22 10.378 -5.125 -5.550 1.00 0.00 C ATOM 394 CD GLU A 22 10.452 -6.569 -6.003 1.00 0.00 C ATOM 395 OE1 GLU A 22 11.237 -7.339 -5.411 1.00 0.00 O ATOM 396 OE2 GLU A 22 9.723 -6.931 -6.951 1.00 0.00 O ATOM 0 H GLU A 22 13.488 -4.282 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 22 10.710 -4.319 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.781 -3.631 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.478 -5.224 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.492 -4.987 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.261 -4.480 -6.421 1.00 0.00 H new ATOM 403 N VAL A 23 12.148 -7.275 -3.045 1.00 0.00 N ATOM 404 CA VAL A 23 11.939 -8.699 -2.817 1.00 0.00 C ATOM 405 C VAL A 23 11.496 -8.968 -1.383 1.00 0.00 C ATOM 406 O VAL A 23 10.593 -9.769 -1.141 1.00 0.00 O ATOM 407 CB VAL A 23 13.218 -9.507 -3.106 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.385 -8.973 -2.288 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.990 -10.985 -2.824 1.00 0.00 C ATOM 0 H VAL A 23 13.117 -7.015 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 23 11.153 -9.017 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 23 13.465 -9.396 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.279 -9.557 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.562 -7.929 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.151 -9.051 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.904 -11.541 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.717 -11.118 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.186 -11.357 -3.459 1.00 0.00 H new ATOM 419 N LEU A 24 12.136 -8.292 -0.435 1.00 0.00 N ATOM 420 CA LEU A 24 11.808 -8.457 0.976 1.00 0.00 C ATOM 421 C LEU A 24 10.343 -8.119 1.237 1.00 0.00 C ATOM 422 O LEU A 24 9.622 -8.889 1.873 1.00 0.00 O ATOM 423 CB LEU A 24 12.708 -7.569 1.837 1.00 0.00 C ATOM 424 CG LEU A 24 12.688 -7.849 3.340 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.718 -6.989 4.056 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.298 -7.605 3.908 1.00 0.00 C ATOM 0 H LEU A 24 12.885 -7.624 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 24 11.975 -9.501 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.733 -7.673 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.419 -6.530 1.677 1.00 0.00 H new ATOM 0 HG LEU A 24 12.945 -8.896 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.690 -7.201 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.712 -7.212 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.492 -5.936 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.302 -7.809 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.012 -6.567 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.583 -8.264 3.415 1.00 0.00 H new ATOM 438 N ILE A 25 9.910 -6.965 0.742 1.00 0.00 N ATOM 439 CA ILE A 25 8.531 -6.528 0.919 1.00 0.00 C ATOM 440 C ILE A 25 7.553 -7.549 0.349 1.00 0.00 C ATOM 441 O ILE A 25 6.581 -7.928 1.004 1.00 0.00 O ATOM 442 CB ILE A 25 8.281 -5.164 0.247 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.017 -4.056 1.005 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.791 -4.870 0.181 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.573 -3.912 2.443 1.00 0.00 C ATOM 0 H ILE A 25 10.494 -6.316 0.215 1.00 0.00 H new ATOM 0 HA ILE A 25 8.367 -6.431 1.992 1.00 0.00 H new ATOM 0 HB ILE A 25 8.668 -5.201 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.087 -4.260 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.862 -3.109 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.632 -3.903 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.292 -5.647 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.379 -4.849 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.136 -3.109 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.509 -3.677 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.753 -4.846 2.975 1.00 0.00 H new ATOM 457 N LEU A 26 7.817 -7.993 -0.875 1.00 0.00 N ATOM 458 CA LEU A 26 6.961 -8.973 -1.533 1.00 0.00 C ATOM 459 C LEU A 26 6.878 -10.260 -0.720 1.00 0.00 C ATOM 460 O LEU A 26 5.859 -10.950 -0.733 1.00 0.00 O ATOM 461 CB LEU A 26 7.487 -9.277 -2.937 1.00 0.00 C ATOM 462 CG LEU A 26 7.138 -8.259 -4.022 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.766 -8.653 -5.349 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.628 -8.126 -4.163 1.00 0.00 C ATOM 0 H LEU A 26 8.616 -7.690 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 26 5.960 -8.549 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.572 -9.364 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.103 -10.250 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 26 7.543 -7.291 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.505 -7.915 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.850 -8.695 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.394 -9.632 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.398 -7.397 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.201 -9.092 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.202 -7.794 -3.216 1.00 0.00 H new ATOM 476 N GLN A 27 7.957 -10.574 -0.009 1.00 0.00 N ATOM 477 CA GLN A 27 8.006 -11.778 0.813 1.00 0.00 C ATOM 478 C GLN A 27 7.047 -11.669 1.994 1.00 0.00 C ATOM 479 O GLN A 27 6.258 -12.579 2.253 1.00 0.00 O ATOM 480 CB GLN A 27 9.429 -12.019 1.318 1.00 0.00 C ATOM 481 CG GLN A 27 10.342 -12.657 0.283 1.00 0.00 C ATOM 482 CD GLN A 27 9.926 -14.073 -0.069 1.00 0.00 C ATOM 483 OE1 GLN A 27 10.189 -15.013 0.680 1.00 0.00 O ATOM 484 NE2 GLN A 27 9.271 -14.231 -1.213 1.00 0.00 N ATOM 0 H GLN A 27 8.808 -10.012 0.014 1.00 0.00 H new ATOM 0 HA GLN A 27 7.700 -12.622 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.860 -11.069 1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.389 -12.659 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.343 -12.047 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.364 -12.666 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.074 -13.423 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.965 -15.160 -1.501 1.00 0.00 H new ATOM 493 N LEU A 28 7.120 -10.551 2.708 1.00 0.00 N ATOM 494 CA LEU A 28 6.259 -10.323 3.863 1.00 0.00 C ATOM 495 C LEU A 28 4.801 -10.175 3.435 1.00 0.00 C ATOM 496 O LEU A 28 3.907 -10.785 4.021 1.00 0.00 O ATOM 497 CB LEU A 28 6.708 -9.072 4.620 1.00 0.00 C ATOM 498 CG LEU A 28 8.199 -8.985 4.946 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.492 -7.748 5.780 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.662 -10.241 5.670 1.00 0.00 C ATOM 0 H LEU A 28 7.767 -9.788 2.507 1.00 0.00 H new ATOM 0 HA LEU A 28 6.340 -11.188 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.434 -8.197 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.148 -9.016 5.554 1.00 0.00 H new ATOM 0 HG LEU A 28 8.751 -8.906 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.558 -7.703 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.199 -6.857 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.929 -7.796 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.726 -10.161 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.103 -10.352 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.489 -11.111 5.036 1.00 0.00 H new ATOM 512 N PHE A 29 4.571 -9.364 2.408 1.00 0.00 N ATOM 513 CA PHE A 29 3.223 -9.137 1.900 1.00 0.00 C ATOM 514 C PHE A 29 2.667 -10.402 1.252 1.00 0.00 C ATOM 515 O PHE A 29 1.467 -10.669 1.317 1.00 0.00 O ATOM 516 CB PHE A 29 3.223 -7.989 0.888 1.00 0.00 C ATOM 517 CG PHE A 29 3.157 -6.630 1.524 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.277 -6.073 2.118 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.972 -5.909 1.528 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.219 -4.822 2.704 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.909 -4.659 2.111 1.00 0.00 C ATOM 522 CZ PHE A 29 3.034 -4.115 2.701 1.00 0.00 C ATOM 0 H PHE A 29 5.301 -8.853 1.911 1.00 0.00 H new ATOM 0 HA PHE A 29 2.584 -8.870 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.124 -8.053 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.374 -8.108 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.207 -6.622 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.089 -6.330 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.100 -4.399 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.981 -4.107 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.986 -3.138 3.159 1.00 0.00 H new ATOM 532 N SER A 30 3.547 -11.175 0.626 1.00 0.00 N ATOM 533 CA SER A 30 3.145 -12.409 -0.039 1.00 0.00 C ATOM 534 C SER A 30 2.517 -13.382 0.955 1.00 0.00 C ATOM 535 O SER A 30 1.571 -14.096 0.627 1.00 0.00 O ATOM 536 CB SER A 30 4.348 -13.064 -0.719 1.00 0.00 C ATOM 537 OG SER A 30 4.100 -14.432 -0.990 1.00 0.00 O ATOM 0 H SER A 30 4.544 -10.969 0.565 1.00 0.00 H new ATOM 0 HA SER A 30 2.402 -12.158 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.573 -12.541 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.226 -12.970 -0.080 1.00 0.00 H new ATOM 0 HG SER A 30 4.884 -14.826 -1.426 1.00 0.00 H new ATOM 543 N GLN A 31 3.053 -13.402 2.173 1.00 0.00 N ATOM 544 CA GLN A 31 2.546 -14.287 3.214 1.00 0.00 C ATOM 545 C GLN A 31 1.065 -14.032 3.473 1.00 0.00 C ATOM 546 O GLN A 31 0.303 -14.961 3.743 1.00 0.00 O ATOM 547 CB GLN A 31 3.343 -14.096 4.506 1.00 0.00 C ATOM 548 CG GLN A 31 4.809 -14.478 4.380 1.00 0.00 C ATOM 549 CD GLN A 31 5.409 -14.930 5.697 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.370 -16.113 6.036 1.00 0.00 O ATOM 551 NE2 GLN A 31 5.970 -13.988 6.447 1.00 0.00 N ATOM 0 H GLN A 31 3.837 -12.816 2.461 1.00 0.00 H new ATOM 0 HA GLN A 31 2.663 -15.315 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.273 -13.053 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.887 -14.693 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.911 -15.277 3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.372 -13.624 4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.980 -13.020 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.391 -14.233 7.343 1.00 0.00 H new ATOM 560 N ILE A 32 0.665 -12.768 3.390 1.00 0.00 N ATOM 561 CA ILE A 32 -0.725 -12.391 3.615 1.00 0.00 C ATOM 562 C ILE A 32 -1.580 -12.687 2.387 1.00 0.00 C ATOM 563 O ILE A 32 -2.645 -13.294 2.491 1.00 0.00 O ATOM 564 CB ILE A 32 -0.854 -10.898 3.968 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.131 -10.599 5.283 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.320 -10.500 4.061 1.00 0.00 C ATOM 567 CD1 ILE A 32 0.068 -9.122 5.541 1.00 0.00 C ATOM 0 H ILE A 32 1.283 -11.988 3.169 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.081 -12.986 4.456 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.388 -10.311 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.700 -11.030 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.841 -11.092 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.395 -9.442 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.808 -10.682 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.809 -11.091 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.587 -8.985 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.663 -8.689 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.902 -8.626 5.583 1.00 0.00 H new ATOM 579 N GLY A 33 -1.104 -12.254 1.222 1.00 0.00 N ATOM 580 CA GLY A 33 -1.836 -12.483 -0.010 1.00 0.00 C ATOM 581 C GLY A 33 -0.961 -12.340 -1.239 1.00 0.00 C ATOM 582 O GLY A 33 0.192 -11.917 -1.160 1.00 0.00 O ATOM 0 H GLY A 33 -0.225 -11.749 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.270 -13.483 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.664 -11.777 -0.073 1.00 0.00 H new ATOM 586 N PRO A 34 -1.512 -12.701 -2.408 1.00 0.00 N ATOM 587 CA PRO A 34 -0.791 -12.622 -3.681 1.00 0.00 C ATOM 588 C PRO A 34 -0.556 -11.181 -4.124 1.00 0.00 C ATOM 589 O PRO A 34 -1.491 -10.382 -4.190 1.00 0.00 O ATOM 590 CB PRO A 34 -1.723 -13.338 -4.662 1.00 0.00 C ATOM 591 CG PRO A 34 -3.081 -13.198 -4.065 1.00 0.00 C ATOM 592 CD PRO A 34 -2.883 -13.215 -2.575 1.00 0.00 C ATOM 0 HA PRO A 34 0.202 -13.066 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.678 -12.886 -5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.447 -14.386 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.554 -12.270 -4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.732 -14.013 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.613 -12.586 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.988 -14.220 -2.167 1.00 0.00 H new ATOM 600 N CYS A 35 0.696 -10.858 -4.429 1.00 0.00 N ATOM 601 CA CYS A 35 1.053 -9.513 -4.866 1.00 0.00 C ATOM 602 C CYS A 35 1.268 -9.471 -6.376 1.00 0.00 C ATOM 603 O CYS A 35 2.085 -10.217 -6.918 1.00 0.00 O ATOM 604 CB CYS A 35 2.315 -9.039 -4.146 1.00 0.00 C ATOM 605 SG CYS A 35 2.203 -9.102 -2.342 1.00 0.00 S ATOM 0 H CYS A 35 1.480 -11.508 -4.382 1.00 0.00 H new ATOM 0 HA CYS A 35 0.228 -8.845 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.157 -9.652 -4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.531 -8.015 -4.450 1.00 0.00 H new ATOM 0 HG CYS A 35 1.014 -8.732 -1.968 1.00 0.00 H new ATOM 611 N LYS A 36 0.530 -8.597 -7.050 1.00 0.00 N ATOM 612 CA LYS A 36 0.639 -8.457 -8.498 1.00 0.00 C ATOM 613 C LYS A 36 2.034 -7.983 -8.895 1.00 0.00 C ATOM 614 O LYS A 36 2.683 -8.582 -9.753 1.00 0.00 O ATOM 615 CB LYS A 36 -0.412 -7.475 -9.017 1.00 0.00 C ATOM 616 CG LYS A 36 -0.628 -7.554 -10.518 1.00 0.00 C ATOM 617 CD LYS A 36 -1.386 -8.811 -10.907 1.00 0.00 C ATOM 618 CE LYS A 36 -2.046 -8.666 -12.271 1.00 0.00 C ATOM 619 NZ LYS A 36 -1.050 -8.712 -13.376 1.00 0.00 N ATOM 0 H LYS A 36 -0.151 -7.974 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 36 0.465 -9.435 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.358 -7.668 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.111 -6.461 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.181 -6.676 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.336 -7.537 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.702 -9.660 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.145 -9.026 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.777 -9.463 -12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.591 -7.723 -12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.539 -8.610 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.367 -7.936 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.547 -9.622 -13.353 1.00 0.00 H new ATOM 633 N SER A 37 2.490 -6.905 -8.265 1.00 0.00 N ATOM 634 CA SER A 37 3.807 -6.350 -8.554 1.00 0.00 C ATOM 635 C SER A 37 4.210 -5.327 -7.496 1.00 0.00 C ATOM 636 O SER A 37 3.363 -4.628 -6.938 1.00 0.00 O ATOM 637 CB SER A 37 3.814 -5.697 -9.938 1.00 0.00 C ATOM 638 OG SER A 37 5.108 -5.741 -10.515 1.00 0.00 O ATOM 0 H SER A 37 1.967 -6.399 -7.551 1.00 0.00 H new ATOM 0 HA SER A 37 4.530 -7.166 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.104 -6.208 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.483 -4.662 -9.857 1.00 0.00 H new ATOM 0 HG SER A 37 5.086 -5.319 -11.399 1.00 0.00 H new ATOM 644 N CYS A 38 5.508 -5.248 -7.225 1.00 0.00 N ATOM 645 CA CYS A 38 6.025 -4.312 -6.232 1.00 0.00 C ATOM 646 C CYS A 38 7.137 -3.454 -6.822 1.00 0.00 C ATOM 647 O CYS A 38 8.083 -3.967 -7.422 1.00 0.00 O ATOM 648 CB CYS A 38 6.544 -5.070 -5.009 1.00 0.00 C ATOM 649 SG CYS A 38 7.189 -4.003 -3.699 1.00 0.00 S ATOM 0 H CYS A 38 6.221 -5.820 -7.678 1.00 0.00 H new ATOM 0 HA CYS A 38 5.209 -3.657 -5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.736 -5.679 -4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.331 -5.755 -5.326 1.00 0.00 H new ATOM 0 HG CYS A 38 6.501 -2.901 -3.659 1.00 0.00 H new ATOM 655 N LYS A 39 7.019 -2.141 -6.651 1.00 0.00 N ATOM 656 CA LYS A 39 8.014 -1.208 -7.167 1.00 0.00 C ATOM 657 C LYS A 39 8.606 -0.367 -6.042 1.00 0.00 C ATOM 658 O LYS A 39 7.915 0.451 -5.435 1.00 0.00 O ATOM 659 CB LYS A 39 7.387 -0.296 -8.225 1.00 0.00 C ATOM 660 CG LYS A 39 8.314 0.809 -8.701 1.00 0.00 C ATOM 661 CD LYS A 39 7.535 2.023 -9.177 1.00 0.00 C ATOM 662 CE LYS A 39 7.205 1.928 -10.659 1.00 0.00 C ATOM 663 NZ LYS A 39 5.950 2.656 -10.995 1.00 0.00 N ATOM 0 H LYS A 39 6.243 -1.699 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 39 8.816 -1.787 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.086 -0.900 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.481 0.152 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.982 1.099 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.940 0.436 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.613 2.113 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.116 2.926 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.030 2.338 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.104 0.880 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.759 2.568 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.158 2.249 -10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.055 3.661 -10.748 1.00 0.00 H new ATOM 677 N MET A 40 9.891 -0.572 -5.768 1.00 0.00 N ATOM 678 CA MET A 40 10.577 0.170 -4.718 1.00 0.00 C ATOM 679 C MET A 40 11.227 1.431 -5.278 1.00 0.00 C ATOM 680 O MET A 40 12.099 1.359 -6.143 1.00 0.00 O ATOM 681 CB MET A 40 11.635 -0.710 -4.049 1.00 0.00 C ATOM 682 CG MET A 40 12.482 0.030 -3.027 1.00 0.00 C ATOM 683 SD MET A 40 13.536 -1.076 -2.069 1.00 0.00 S ATOM 684 CE MET A 40 12.491 -1.398 -0.651 1.00 0.00 C ATOM 0 H MET A 40 10.478 -1.246 -6.259 1.00 0.00 H new ATOM 0 HA MET A 40 9.837 0.465 -3.974 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.141 -1.550 -3.560 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.287 -1.127 -4.816 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.103 0.765 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.829 0.581 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.003 -1.082 0.258 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.558 -0.843 -0.753 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.274 -2.465 -0.593 1.00 0.00 H new ATOM 694 N ILE A 41 10.796 2.585 -4.780 1.00 0.00 N ATOM 695 CA ILE A 41 11.337 3.861 -5.230 1.00 0.00 C ATOM 696 C ILE A 41 12.212 4.497 -4.156 1.00 0.00 C ATOM 697 O ILE A 41 11.725 4.891 -3.096 1.00 0.00 O ATOM 698 CB ILE A 41 10.215 4.845 -5.612 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.152 4.138 -6.456 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.789 6.037 -6.363 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.229 5.089 -7.185 1.00 0.00 C ATOM 0 H ILE A 41 10.073 2.662 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 41 11.943 3.653 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 41 9.744 5.208 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.646 3.495 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.558 3.491 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.984 6.723 -6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.512 6.552 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.283 5.691 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.502 4.519 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.707 5.716 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.812 5.719 -7.857 1.00 0.00 H new ATOM 810 N PRO A 49 12.980 5.914 2.118 1.00 0.00 N ATOM 811 CA PRO A 49 12.508 5.337 0.856 1.00 0.00 C ATOM 812 C PRO A 49 11.067 4.844 0.947 1.00 0.00 C ATOM 813 O PRO A 49 10.506 4.738 2.038 1.00 0.00 O ATOM 814 CB PRO A 49 13.461 4.162 0.623 1.00 0.00 C ATOM 815 CG PRO A 49 13.941 3.788 1.983 1.00 0.00 C ATOM 816 CD PRO A 49 13.996 5.069 2.769 1.00 0.00 C ATOM 0 HA PRO A 49 12.508 6.069 0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.951 3.328 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.290 4.447 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.267 3.071 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.923 3.317 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.767 4.904 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.985 5.525 2.726 1.00 0.00 H new ATOM 824 N TYR A 50 10.476 4.544 -0.203 1.00 0.00 N ATOM 825 CA TYR A 50 9.100 4.064 -0.253 1.00 0.00 C ATOM 826 C TYR A 50 8.907 3.082 -1.404 1.00 0.00 C ATOM 827 O TYR A 50 9.587 3.166 -2.428 1.00 0.00 O ATOM 828 CB TYR A 50 8.133 5.240 -0.402 1.00 0.00 C ATOM 829 CG TYR A 50 8.207 5.918 -1.751 1.00 0.00 C ATOM 830 CD1 TYR A 50 9.212 6.834 -2.035 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.272 5.642 -2.742 1.00 0.00 C ATOM 832 CE1 TYR A 50 9.284 7.457 -3.267 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.338 6.259 -3.977 1.00 0.00 C ATOM 834 CZ TYR A 50 8.345 7.165 -4.234 1.00 0.00 C ATOM 835 OH TYR A 50 8.412 7.783 -5.462 1.00 0.00 O ATOM 0 H TYR A 50 10.928 4.625 -1.114 1.00 0.00 H new ATOM 0 HA TYR A 50 8.889 3.545 0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.115 4.886 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.344 5.974 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.950 7.063 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.481 4.934 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.071 8.168 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.605 6.033 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 50 9.178 8.394 -5.479 1.00 0.00 H new ATOM 845 N CYS A 51 7.974 2.152 -1.230 1.00 0.00 N ATOM 846 CA CYS A 51 7.690 1.153 -2.254 1.00 0.00 C ATOM 847 C CYS A 51 6.186 0.968 -2.430 1.00 0.00 C ATOM 848 O CYS A 51 5.410 1.190 -1.501 1.00 0.00 O ATOM 849 CB CYS A 51 8.341 -0.182 -1.888 1.00 0.00 C ATOM 850 SG CYS A 51 7.609 -0.990 -0.446 1.00 0.00 S ATOM 0 H CYS A 51 7.402 2.069 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 51 8.107 1.506 -3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.270 -0.855 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.402 -0.017 -1.699 1.00 0.00 H new ATOM 0 HG CYS A 51 6.641 -1.768 -0.829 1.00 0.00 H new ATOM 856 N PHE A 52 5.782 0.562 -3.629 1.00 0.00 N ATOM 857 CA PHE A 52 4.371 0.349 -3.929 1.00 0.00 C ATOM 858 C PHE A 52 4.054 -1.140 -4.027 1.00 0.00 C ATOM 859 O PHE A 52 4.773 -1.898 -4.679 1.00 0.00 O ATOM 860 CB PHE A 52 3.994 1.050 -5.235 1.00 0.00 C ATOM 861 CG PHE A 52 4.002 2.548 -5.136 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.147 3.204 -4.266 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.867 3.302 -5.913 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.153 4.583 -4.174 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.878 4.681 -5.825 1.00 0.00 C ATOM 866 CZ PHE A 52 4.020 5.322 -4.953 1.00 0.00 C ATOM 0 H PHE A 52 6.412 0.374 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 52 3.784 0.774 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.688 0.742 -6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.002 0.720 -5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.468 2.631 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.541 2.806 -6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.480 5.082 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.556 5.257 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.028 6.400 -4.881 1.00 0.00 H new ATOM 876 N VAL A 53 2.972 -1.554 -3.374 1.00 0.00 N ATOM 877 CA VAL A 53 2.559 -2.952 -3.388 1.00 0.00 C ATOM 878 C VAL A 53 1.139 -3.099 -3.922 1.00 0.00 C ATOM 879 O VAL A 53 0.189 -2.576 -3.342 1.00 0.00 O ATOM 880 CB VAL A 53 2.632 -3.573 -1.980 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.181 -5.025 -2.013 1.00 0.00 C ATOM 882 CG2 VAL A 53 4.042 -3.455 -1.420 1.00 0.00 C ATOM 0 H VAL A 53 2.366 -0.941 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 53 3.249 -3.480 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 53 1.957 -3.024 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.239 -5.447 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.152 -5.079 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.828 -5.592 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.077 -3.898 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.739 -3.978 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.322 -2.403 -1.359 1.00 0.00 H new ATOM 892 N GLU A 54 1.002 -3.818 -5.033 1.00 0.00 N ATOM 893 CA GLU A 54 -0.302 -4.034 -5.646 1.00 0.00 C ATOM 894 C GLU A 54 -0.728 -5.495 -5.519 1.00 0.00 C ATOM 895 O GLU A 54 0.065 -6.406 -5.754 1.00 0.00 O ATOM 896 CB GLU A 54 -0.272 -3.627 -7.121 1.00 0.00 C ATOM 897 CG GLU A 54 -1.648 -3.555 -7.761 1.00 0.00 C ATOM 898 CD GLU A 54 -1.614 -2.950 -9.151 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.617 -3.177 -9.872 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.581 -2.252 -9.520 1.00 0.00 O ATOM 0 H GLU A 54 1.778 -4.260 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.028 -3.414 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.213 -2.655 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.339 -4.340 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.072 -4.558 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.309 -2.963 -7.127 1.00 0.00 H new ATOM 907 N PHE A 55 -1.986 -5.708 -5.146 1.00 0.00 N ATOM 908 CA PHE A 55 -2.517 -7.056 -4.986 1.00 0.00 C ATOM 909 C PHE A 55 -3.479 -7.400 -6.120 1.00 0.00 C ATOM 910 O PHE A 55 -3.900 -6.526 -6.878 1.00 0.00 O ATOM 911 CB PHE A 55 -3.230 -7.190 -3.639 1.00 0.00 C ATOM 912 CG PHE A 55 -2.297 -7.449 -2.491 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.548 -6.419 -1.944 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.170 -8.721 -1.957 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.688 -6.655 -0.888 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.313 -8.962 -0.900 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.571 -7.927 -0.364 1.00 0.00 C ATOM 0 H PHE A 55 -2.656 -4.964 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.681 -7.755 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.792 -6.277 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.954 -8.003 -3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.637 -5.421 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.748 -9.534 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.108 -5.844 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.223 -9.958 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.099 -8.113 0.463 1.00 0.00 H new ATOM 927 N TYR A 56 -3.822 -8.679 -6.229 1.00 0.00 N ATOM 928 CA TYR A 56 -4.732 -9.139 -7.271 1.00 0.00 C ATOM 929 C TYR A 56 -6.178 -8.800 -6.921 1.00 0.00 C ATOM 930 O TYR A 56 -6.966 -8.425 -7.788 1.00 0.00 O ATOM 931 CB TYR A 56 -4.586 -10.647 -7.475 1.00 0.00 C ATOM 932 CG TYR A 56 -3.266 -11.050 -8.095 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.127 -11.203 -7.316 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.160 -11.276 -9.463 1.00 0.00 C ATOM 935 CE1 TYR A 56 -0.920 -11.570 -7.879 1.00 0.00 C ATOM 936 CE2 TYR A 56 -1.957 -11.644 -10.035 1.00 0.00 C ATOM 937 CZ TYR A 56 -0.840 -11.789 -9.239 1.00 0.00 C ATOM 938 OH TYR A 56 0.360 -12.155 -9.803 1.00 0.00 O ATOM 0 H TYR A 56 -3.484 -9.415 -5.609 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.472 -8.626 -8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.693 -11.147 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.399 -11.000 -8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.186 -11.032 -6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.033 -11.162 -10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.044 -11.685 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.892 -11.817 -11.099 1.00 0.00 H new ATOM 0 HH TYR A 56 0.245 -12.271 -10.769 1.00 0.00 H new ATOM 948 N GLU A 57 -6.518 -8.936 -5.643 1.00 0.00 N ATOM 949 CA GLU A 57 -7.868 -8.644 -5.178 1.00 0.00 C ATOM 950 C GLU A 57 -7.858 -7.515 -4.150 1.00 0.00 C ATOM 951 O GLU A 57 -6.814 -7.177 -3.594 1.00 0.00 O ATOM 952 CB GLU A 57 -8.504 -9.896 -4.570 1.00 0.00 C ATOM 953 CG GLU A 57 -8.459 -11.108 -5.486 1.00 0.00 C ATOM 954 CD GLU A 57 -9.644 -11.169 -6.431 1.00 0.00 C ATOM 955 OE1 GLU A 57 -9.874 -10.180 -7.158 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.342 -12.204 -6.443 1.00 0.00 O ATOM 0 H GLU A 57 -5.878 -9.246 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.459 -8.325 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.993 -10.137 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.542 -9.680 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.537 -11.086 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.434 -12.015 -4.882 1.00 0.00 H new ATOM 963 N HIS A 58 -9.029 -6.937 -3.903 1.00 0.00 N ATOM 964 CA HIS A 58 -9.157 -5.847 -2.943 1.00 0.00 C ATOM 965 C HIS A 58 -9.057 -6.369 -1.512 1.00 0.00 C ATOM 966 O HIS A 58 -8.475 -5.719 -0.644 1.00 0.00 O ATOM 967 CB HIS A 58 -10.485 -5.117 -3.140 1.00 0.00 C ATOM 968 CG HIS A 58 -10.799 -4.139 -2.050 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.072 -2.986 -1.843 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.769 -4.146 -1.106 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.580 -2.326 -0.816 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.612 -3.010 -0.352 1.00 0.00 N ATOM 0 H HIS A 58 -9.903 -7.206 -4.355 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.339 -5.148 -3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.462 -4.590 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.288 -5.851 -3.200 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.268 -2.689 -2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.526 -4.905 -0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.215 -1.389 -0.423 1.00 0.00 H new ATOM 980 N ARG A 59 -9.628 -7.545 -1.275 1.00 0.00 N ATOM 981 CA ARG A 59 -9.605 -8.152 0.049 1.00 0.00 C ATOM 982 C ARG A 59 -8.170 -8.371 0.523 1.00 0.00 C ATOM 983 O ARG A 59 -7.845 -8.124 1.684 1.00 0.00 O ATOM 984 CB ARG A 59 -10.358 -9.485 0.037 1.00 0.00 C ATOM 985 CG ARG A 59 -9.752 -10.516 -0.901 1.00 0.00 C ATOM 986 CD ARG A 59 -10.384 -11.886 -0.704 1.00 0.00 C ATOM 987 NE ARG A 59 -9.663 -12.930 -1.426 1.00 0.00 N ATOM 988 CZ ARG A 59 -9.964 -14.221 -1.346 1.00 0.00 C ATOM 989 NH1 ARG A 59 -10.967 -14.624 -0.579 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.261 -15.112 -2.033 1.00 0.00 N ATOM 0 H ARG A 59 -10.112 -8.096 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.098 -7.470 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.376 -9.892 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.393 -9.306 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.889 -10.196 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.678 -10.581 -0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.403 -12.127 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.420 -11.860 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.885 -12.653 -2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.509 -13.942 -0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.196 -15.616 -0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.488 -14.806 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.494 -16.103 -1.970 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.318 -8.834 -0.384 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.919 -9.086 -0.061 1.00 0.00 C ATOM 1006 C ASP A 60 -5.203 -7.788 0.301 1.00 0.00 C ATOM 1007 O ASP A 60 -4.481 -7.723 1.295 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.214 -9.760 -1.239 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.879 -11.060 -1.645 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.406 -11.759 -0.755 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.873 -11.378 -2.853 1.00 0.00 O ATOM 0 H ASP A 60 -7.572 -9.043 -1.350 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.885 -9.752 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.204 -9.079 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.175 -9.954 -0.974 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.409 -6.758 -0.512 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.785 -5.461 -0.277 1.00 0.00 C ATOM 1018 C ALA A 61 -5.193 -4.894 1.078 1.00 0.00 C ATOM 1019 O ALA A 61 -4.366 -4.347 1.806 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.149 -4.490 -1.391 1.00 0.00 C ATOM 0 H ALA A 61 -6.003 -6.796 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.704 -5.600 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.676 -3.526 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.801 -4.884 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.231 -4.363 -1.424 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.473 -5.025 1.407 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.991 -4.525 2.676 1.00 0.00 C ATOM 1028 C ALA A 62 -6.450 -5.339 3.847 1.00 0.00 C ATOM 1029 O ALA A 62 -6.111 -4.788 4.894 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.512 -4.549 2.671 1.00 0.00 C ATOM 0 H ALA A 62 -7.171 -5.473 0.813 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.656 -3.495 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.885 -4.173 3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.883 -3.919 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.859 -5.572 2.523 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.374 -6.653 3.665 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.875 -7.542 4.706 1.00 0.00 C ATOM 1038 C ALA A 63 -4.394 -7.293 4.976 1.00 0.00 C ATOM 1039 O ALA A 63 -3.974 -7.185 6.126 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.106 -8.994 4.317 1.00 0.00 C ATOM 0 H ALA A 63 -6.652 -7.126 2.805 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.426 -7.332 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.728 -9.646 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.173 -9.169 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.582 -9.209 3.385 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.610 -7.205 3.907 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.177 -6.968 4.028 1.00 0.00 C ATOM 1048 C ALA A 64 -1.891 -5.527 4.434 1.00 0.00 C ATOM 1049 O ALA A 64 -0.936 -5.253 5.162 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.474 -7.301 2.720 1.00 0.00 C ATOM 0 H ALA A 64 -3.943 -7.294 2.947 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.791 -7.621 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.404 -7.119 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.641 -8.350 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.872 -6.673 1.923 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.724 -4.607 3.959 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.560 -3.192 4.272 1.00 0.00 C ATOM 1058 C LEU A 65 -2.628 -2.956 5.777 1.00 0.00 C ATOM 1059 O LEU A 65 -1.748 -2.317 6.355 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.637 -2.366 3.565 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.977 -1.019 4.206 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.901 0.009 3.891 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.338 -0.532 3.732 1.00 0.00 C ATOM 0 H LEU A 65 -3.520 -4.816 3.356 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.578 -2.878 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.315 -2.187 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.548 -2.962 3.513 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.017 -1.152 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.160 0.961 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.943 -0.336 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.828 0.140 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.564 0.427 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.325 -0.415 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.101 -1.259 4.010 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.675 -3.477 6.406 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.855 -3.327 7.845 1.00 0.00 C ATOM 1077 C ALA A 66 -2.795 -4.109 8.615 1.00 0.00 C ATOM 1078 O ALA A 66 -2.249 -3.623 9.605 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.249 -3.779 8.253 1.00 0.00 C ATOM 0 H ALA A 66 -4.412 -4.007 5.942 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.741 -2.272 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.369 -3.661 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.994 -3.173 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.385 -4.827 7.985 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.512 -5.323 8.155 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.518 -6.171 8.799 1.00 0.00 C ATOM 1087 C ALA A 67 -0.117 -5.590 8.646 1.00 0.00 C ATOM 1088 O ALA A 67 0.778 -5.884 9.438 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.573 -7.580 8.225 1.00 0.00 C ATOM 0 H ALA A 67 -2.958 -5.741 7.338 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.750 -6.215 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.825 -8.202 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.563 -8.003 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.370 -7.545 7.155 1.00 0.00 H new ATOM 1095 N MET A 68 0.067 -4.763 7.621 1.00 0.00 N ATOM 1096 CA MET A 68 1.360 -4.141 7.365 1.00 0.00 C ATOM 1097 C MET A 68 1.350 -2.674 7.786 1.00 0.00 C ATOM 1098 O MET A 68 2.402 -2.056 7.942 1.00 0.00 O ATOM 1099 CB MET A 68 1.720 -4.256 5.883 1.00 0.00 C ATOM 1100 CG MET A 68 1.920 -5.688 5.416 1.00 0.00 C ATOM 1101 SD MET A 68 3.227 -6.539 6.321 1.00 0.00 S ATOM 1102 CE MET A 68 4.641 -5.516 5.914 1.00 0.00 C ATOM 0 H MET A 68 -0.663 -4.509 6.955 1.00 0.00 H new ATOM 0 HA MET A 68 2.111 -4.665 7.956 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.931 -3.796 5.289 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.632 -3.690 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.986 -6.238 5.532 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.160 -5.689 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.434 -6.139 5.501 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.348 -4.766 5.179 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.002 -5.019 6.815 1.00 0.00 H new ATOM 1112 N ASN A 69 0.153 -2.123 7.966 1.00 0.00 N ATOM 1113 CA ASN A 69 0.008 -0.728 8.367 1.00 0.00 C ATOM 1114 C ASN A 69 0.767 -0.452 9.661 1.00 0.00 C ATOM 1115 O ASN A 69 0.295 -0.775 10.751 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.471 -0.380 8.546 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.677 1.049 9.011 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -2.175 1.890 8.265 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.292 1.327 10.252 1.00 0.00 N ATOM 0 H ASN A 69 -0.729 -2.620 7.841 1.00 0.00 H new ATOM 0 HA ASN A 69 0.430 -0.103 7.580 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.994 -0.531 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.917 -1.062 9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.405 2.271 10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.883 0.596 10.835 1.00 0.00 H new ATOM 1126 N GLY A 70 1.945 0.148 9.533 1.00 0.00 N ATOM 1127 CA GLY A 70 2.751 0.458 10.700 1.00 0.00 C ATOM 1128 C GLY A 70 3.391 -0.775 11.307 1.00 0.00 C ATOM 1129 O GLY A 70 3.530 -0.873 12.527 1.00 0.00 O ATOM 0 H GLY A 70 2.357 0.426 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.530 1.168 10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.128 0.946 11.449 1.00 0.00 H new ATOM 1133 N ARG A 71 3.780 -1.718 10.456 1.00 0.00 N ATOM 1134 CA ARG A 71 4.405 -2.952 10.916 1.00 0.00 C ATOM 1135 C ARG A 71 5.882 -2.729 11.227 1.00 0.00 C ATOM 1136 O ARG A 71 6.488 -1.766 10.758 1.00 0.00 O ATOM 1137 CB ARG A 71 4.255 -4.050 9.861 1.00 0.00 C ATOM 1138 CG ARG A 71 4.401 -5.455 10.419 1.00 0.00 C ATOM 1139 CD ARG A 71 4.165 -6.508 9.347 1.00 0.00 C ATOM 1140 NE ARG A 71 4.227 -7.864 9.887 1.00 0.00 N ATOM 1141 CZ ARG A 71 5.364 -8.498 10.150 1.00 0.00 C ATOM 1142 NH1 ARG A 71 6.527 -7.904 9.924 1.00 0.00 N ATOM 1143 NH2 ARG A 71 5.339 -9.730 10.641 1.00 0.00 N ATOM 0 H ARG A 71 3.673 -1.651 9.444 1.00 0.00 H new ATOM 0 HA ARG A 71 3.901 -3.266 11.830 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.278 -3.956 9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.002 -3.898 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.399 -5.579 10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.692 -5.599 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.190 -6.345 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.911 -6.397 8.560 1.00 0.00 H new ATOM 0 HE ARG A 71 3.350 -8.350 10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.551 -6.957 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.398 -8.394 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.446 -10.191 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.213 -10.216 10.843 1.00 0.00 H new ATOM 1157 N LYS A 72 6.456 -3.626 12.022 1.00 0.00 N ATOM 1158 CA LYS A 72 7.862 -3.530 12.397 1.00 0.00 C ATOM 1159 C LYS A 72 8.727 -4.397 11.489 1.00 0.00 C ATOM 1160 O LYS A 72 8.611 -5.623 11.490 1.00 0.00 O ATOM 1161 CB LYS A 72 8.053 -3.952 13.856 1.00 0.00 C ATOM 1162 CG LYS A 72 7.922 -2.805 14.843 1.00 0.00 C ATOM 1163 CD LYS A 72 9.274 -2.186 15.159 1.00 0.00 C ATOM 1164 CE LYS A 72 9.860 -1.477 13.948 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.665 -2.401 13.102 1.00 0.00 N ATOM 0 H LYS A 72 5.968 -4.429 12.420 1.00 0.00 H new ATOM 0 HA LYS A 72 8.172 -2.491 12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.318 -4.718 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.037 -4.406 13.968 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.259 -2.044 14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.462 -3.166 15.763 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.168 -1.477 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.961 -2.963 15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.054 -1.048 13.353 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.487 -0.649 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.648 -2.072 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.647 -2.419 13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.263 -3.359 13.154 1.00 0.00 H new ATOM 1179 N ILE A 73 9.595 -3.753 10.716 1.00 0.00 N ATOM 1180 CA ILE A 73 10.482 -4.466 9.805 1.00 0.00 C ATOM 1181 C ILE A 73 11.905 -3.925 9.887 1.00 0.00 C ATOM 1182 O ILE A 73 12.152 -2.750 9.608 1.00 0.00 O ATOM 1183 CB ILE A 73 9.990 -4.368 8.349 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.551 -4.875 8.238 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.908 -5.156 7.426 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.840 -4.407 6.988 1.00 0.00 C ATOM 0 H ILE A 73 9.703 -2.739 10.702 1.00 0.00 H new ATOM 0 HA ILE A 73 10.476 -5.512 10.112 1.00 0.00 H new ATOM 0 HB ILE A 73 10.011 -3.322 8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.556 -5.965 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.989 -4.544 9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.547 -5.077 6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.919 -4.753 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.916 -6.203 7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.825 -4.805 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.803 -3.318 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.379 -4.761 6.109 1.00 0.00 H new ATOM 1198 N LEU A 74 12.840 -4.789 10.269 1.00 0.00 N ATOM 1199 CA LEU A 74 14.240 -4.398 10.385 1.00 0.00 C ATOM 1200 C LEU A 74 14.413 -3.286 11.415 1.00 0.00 C ATOM 1201 O LEU A 74 15.185 -2.352 11.212 1.00 0.00 O ATOM 1202 CB LEU A 74 14.778 -3.939 9.029 1.00 0.00 C ATOM 1203 CG LEU A 74 14.736 -4.976 7.905 1.00 0.00 C ATOM 1204 CD1 LEU A 74 14.973 -4.311 6.557 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.765 -6.070 8.151 1.00 0.00 C ATOM 0 H LEU A 74 12.653 -5.764 10.503 1.00 0.00 H new ATOM 0 HA LEU A 74 14.806 -5.268 10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.209 -3.065 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.811 -3.616 9.160 1.00 0.00 H new ATOM 0 HG LEU A 74 13.746 -5.432 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.940 -5.064 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.199 -3.564 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.950 -3.828 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.721 -6.799 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.762 -5.630 8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.550 -6.565 9.098 1.00 0.00 H new ATOM 1217 N GLY A 75 13.686 -3.397 12.524 1.00 0.00 N ATOM 1218 CA GLY A 75 13.774 -2.395 13.571 1.00 0.00 C ATOM 1219 C GLY A 75 13.186 -1.063 13.150 1.00 0.00 C ATOM 1220 O GLY A 75 13.257 -0.082 13.890 1.00 0.00 O ATOM 0 H GLY A 75 13.039 -4.162 12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.253 -2.754 14.458 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.819 -2.256 13.849 1.00 0.00 H new ATOM 1224 N LYS A 76 12.604 -1.026 11.955 1.00 0.00 N ATOM 1225 CA LYS A 76 12.001 0.195 11.435 1.00 0.00 C ATOM 1226 C LYS A 76 10.524 -0.018 11.121 1.00 0.00 C ATOM 1227 O LYS A 76 10.167 -0.914 10.356 1.00 0.00 O ATOM 1228 CB LYS A 76 12.739 0.656 10.177 1.00 0.00 C ATOM 1229 CG LYS A 76 12.712 2.161 9.972 1.00 0.00 C ATOM 1230 CD LYS A 76 13.689 2.595 8.893 1.00 0.00 C ATOM 1231 CE LYS A 76 13.709 4.108 8.734 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.510 4.768 9.803 1.00 0.00 N ATOM 0 H LYS A 76 12.538 -1.828 11.329 1.00 0.00 H new ATOM 0 HA LYS A 76 12.084 0.966 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.776 0.324 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.295 0.171 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.704 2.474 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.958 2.661 10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.689 2.241 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.415 2.132 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.123 4.365 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.688 4.489 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.499 5.798 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.100 4.544 10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.491 4.424 9.765 1.00 0.00 H new ATOM 1246 N GLU A 77 9.672 0.811 11.714 1.00 0.00 N ATOM 1247 CA GLU A 77 8.233 0.712 11.496 1.00 0.00 C ATOM 1248 C GLU A 77 7.850 1.275 10.130 1.00 0.00 C ATOM 1249 O GLU A 77 8.102 2.443 9.835 1.00 0.00 O ATOM 1250 CB GLU A 77 7.475 1.457 12.597 1.00 0.00 C ATOM 1251 CG GLU A 77 6.113 0.860 12.908 1.00 0.00 C ATOM 1252 CD GLU A 77 5.172 1.860 13.553 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.191 3.040 13.143 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.418 1.464 14.467 1.00 0.00 O ATOM 0 H GLU A 77 9.952 1.559 12.349 1.00 0.00 H new ATOM 0 HA GLU A 77 7.959 -0.343 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.078 1.458 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.347 2.497 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.665 0.487 11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.238 0.004 13.571 1.00 0.00 H new ATOM 1261 N VAL A 78 7.241 0.433 9.300 1.00 0.00 N ATOM 1262 CA VAL A 78 6.822 0.845 7.966 1.00 0.00 C ATOM 1263 C VAL A 78 5.352 1.250 7.952 1.00 0.00 C ATOM 1264 O VAL A 78 4.503 0.570 8.530 1.00 0.00 O ATOM 1265 CB VAL A 78 7.044 -0.278 6.936 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.373 -0.975 7.185 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.894 -1.273 6.977 1.00 0.00 C ATOM 0 H VAL A 78 7.027 -0.538 9.528 1.00 0.00 H new ATOM 0 HA VAL A 78 7.435 1.704 7.693 1.00 0.00 H new ATOM 0 HB VAL A 78 7.075 0.165 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.513 -1.766 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.184 -0.252 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.375 -1.407 8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.067 -2.060 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.829 -1.713 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.961 -0.760 6.746 1.00 0.00 H new ATOM 1277 N LYS A 79 5.056 2.361 7.285 1.00 0.00 N ATOM 1278 CA LYS A 79 3.688 2.857 7.193 1.00 0.00 C ATOM 1279 C LYS A 79 3.045 2.437 5.874 1.00 0.00 C ATOM 1280 O LYS A 79 3.644 2.578 4.808 1.00 0.00 O ATOM 1281 CB LYS A 79 3.666 4.381 7.320 1.00 0.00 C ATOM 1282 CG LYS A 79 4.419 5.094 6.210 1.00 0.00 C ATOM 1283 CD LYS A 79 4.469 6.595 6.445 1.00 0.00 C ATOM 1284 CE LYS A 79 3.192 7.276 5.976 1.00 0.00 C ATOM 1285 NZ LYS A 79 3.222 8.743 6.226 1.00 0.00 N ATOM 0 H LYS A 79 5.746 2.935 6.800 1.00 0.00 H new ATOM 0 HA LYS A 79 3.115 2.422 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.631 4.722 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.097 4.664 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.434 4.701 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.938 4.890 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.620 6.793 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.323 7.019 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.052 7.092 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.337 6.837 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.334 9.170 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.330 8.919 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.023 9.166 5.715 1.00 0.00 H new ATOM 1299 N VAL A 80 1.822 1.922 5.955 1.00 0.00 N ATOM 1300 CA VAL A 80 1.098 1.485 4.767 1.00 0.00 C ATOM 1301 C VAL A 80 -0.291 2.110 4.710 1.00 0.00 C ATOM 1302 O VAL A 80 -1.025 2.110 5.697 1.00 0.00 O ATOM 1303 CB VAL A 80 0.959 -0.050 4.727 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.319 -0.494 3.422 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.316 -0.711 4.918 1.00 0.00 C ATOM 0 H VAL A 80 1.312 1.797 6.830 1.00 0.00 H new ATOM 0 HA VAL A 80 1.678 1.813 3.904 1.00 0.00 H new ATOM 0 HB VAL A 80 0.310 -0.361 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.229 -1.580 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.671 -0.047 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.939 -0.174 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.201 -1.794 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.990 -0.395 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.731 -0.418 5.882 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.646 2.643 3.544 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.948 3.273 3.358 1.00 0.00 C ATOM 1317 C ASN A 81 -2.449 3.073 1.930 1.00 0.00 C ATOM 1318 O ASN A 81 -1.668 2.789 1.022 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.865 4.768 3.677 1.00 0.00 C ATOM 1320 CG ASN A 81 -2.119 5.060 5.143 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.162 5.602 5.508 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -1.163 4.702 5.992 1.00 0.00 N ATOM 0 H ASN A 81 -0.051 2.651 2.716 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.654 2.801 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.879 5.142 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.592 5.307 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.277 4.874 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.314 4.255 5.645 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.754 3.225 1.741 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.359 3.062 0.424 1.00 0.00 C ATOM 1331 C TRP A 82 -3.832 4.109 -0.551 1.00 0.00 C ATOM 1332 O TRP A 82 -3.999 5.309 -0.337 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.883 3.162 0.523 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.514 1.974 1.182 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -7.030 1.915 2.445 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.695 0.673 0.612 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.520 0.655 2.694 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.327 -0.124 1.584 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.385 0.105 -0.627 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.654 -1.459 1.356 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.709 -1.219 -0.853 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.339 -1.989 0.134 1.00 0.00 C ATOM 0 H TRP A 82 -4.414 3.461 2.482 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.090 2.075 0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.146 4.060 1.082 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.298 3.276 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -7.050 2.737 3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.956 0.350 3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.901 0.691 -1.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.138 -2.054 2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.473 -1.668 -1.806 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.581 -3.021 -0.074 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.193 3.646 -1.621 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.643 4.543 -2.630 1.00 0.00 C ATOM 1355 C ALA A 83 -3.750 5.159 -3.479 1.00 0.00 C ATOM 1356 O ALA A 83 -3.929 4.796 -4.642 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.650 3.800 -3.511 1.00 0.00 C ATOM 0 H ALA A 83 -3.044 2.655 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.122 5.352 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.247 4.482 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.837 3.414 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.154 2.971 -4.008 1.00 0.00 H new