USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 12 LYS NZ :NH3+ -156:sc= -0.028 (180deg=-1.28) USER MOD Single : A 14 THR OG1 : rot 60:sc= 0.255 USER MOD Single : A 15 ASN : amide:sc= -2.15! C(o=-2.1!,f=-4.3!) USER MOD Single : A 17 TYR OH : rot -51:sc= 0.278 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot -29:sc= 0.0093 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 29 GLN : amide:sc= -5.89! C(o=-5.9!,f=-12!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.113) USER MOD Single : A 37 TYR OH : rot -2:sc= -0.0117 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.62! K(o=-4.6!,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.727 (180deg=-1.09) USER MOD Single : A 44 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.71) USER MOD Single : A 62 TYR OH : rot 24:sc= -0.334 USER MOD Single : A 63 ASN : amide:sc= -3.82! C(o=-3.8!,f=-9.8!) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0237) USER MOD Single : A 69 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.39) USER MOD Single : A 73 SER OG : rot -22:sc= 0.585 USER MOD Single : A 76 ASN : amide:sc= -3.89! C(o=-3.9!,f=-8.8!) USER MOD Single : A 77 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.3!) USER MOD Single : A 84 SER OG : rot 31:sc=-0.00562! USER MOD Single : A 85 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.088) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -8.399 -0.745 -10.183 1.00 0.00 N ATOM 160 CA LYS A 12 -8.062 0.561 -9.549 1.00 0.00 C ATOM 161 C LYS A 12 -9.156 0.865 -8.522 1.00 0.00 C ATOM 162 O LYS A 12 -9.453 1.996 -8.202 1.00 0.00 O ATOM 163 CB LYS A 12 -8.006 1.650 -10.637 1.00 0.00 C ATOM 164 CG LYS A 12 -8.103 3.059 -10.028 1.00 0.00 C ATOM 165 CD LYS A 12 -7.242 3.163 -8.762 1.00 0.00 C ATOM 166 CE LYS A 12 -7.765 4.302 -7.883 1.00 0.00 C ATOM 167 NZ LYS A 12 -6.795 5.433 -7.907 1.00 0.00 N ATOM 0 HA LYS A 12 -7.091 0.530 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.076 1.558 -11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.821 1.501 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.776 3.799 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.142 3.286 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.270 2.222 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.201 3.345 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.738 4.636 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.906 3.951 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.910 6.007 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.826 5.058 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.971 6.024 -8.744 1.00 0.00 H new ATOM 181 N ASP A 13 -9.773 -0.160 -8.010 1.00 0.00 N ATOM 182 CA ASP A 13 -10.859 0.045 -7.025 1.00 0.00 C ATOM 183 C ASP A 13 -10.278 0.342 -5.638 1.00 0.00 C ATOM 184 O ASP A 13 -11.008 0.559 -4.690 1.00 0.00 O ATOM 185 CB ASP A 13 -11.715 -1.221 -6.950 1.00 0.00 C ATOM 186 CG ASP A 13 -13.087 -0.958 -7.573 1.00 0.00 C ATOM 187 OD1 ASP A 13 -13.751 -0.040 -7.127 1.00 0.00 O ATOM 188 OD2 ASP A 13 -13.452 -1.685 -8.483 1.00 0.00 O ATOM 0 H ASP A 13 -9.569 -1.134 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.466 0.893 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.219 -2.038 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.831 -1.532 -5.912 1.00 0.00 H new ATOM 193 N THR A 14 -8.979 0.332 -5.496 1.00 0.00 N ATOM 194 CA THR A 14 -8.385 0.593 -4.155 1.00 0.00 C ATOM 195 C THR A 14 -6.907 0.960 -4.289 1.00 0.00 C ATOM 196 O THR A 14 -6.053 0.100 -4.304 1.00 0.00 O ATOM 197 CB THR A 14 -8.513 -0.673 -3.301 1.00 0.00 C ATOM 198 OG1 THR A 14 -9.871 -0.850 -2.924 1.00 0.00 O ATOM 199 CG2 THR A 14 -7.646 -0.554 -2.042 1.00 0.00 C ATOM 0 H THR A 14 -8.309 0.156 -6.245 1.00 0.00 H new ATOM 0 HA THR A 14 -8.913 1.423 -3.686 1.00 0.00 H new ATOM 0 HB THR A 14 -8.175 -1.530 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.426 -0.932 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.746 -1.460 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.603 -0.423 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.972 0.305 -1.456 1.00 0.00 H new ATOM 207 N ASN A 15 -6.590 2.220 -4.357 1.00 0.00 N ATOM 208 CA ASN A 15 -5.155 2.612 -4.457 1.00 0.00 C ATOM 209 C ASN A 15 -4.560 2.668 -3.043 1.00 0.00 C ATOM 210 O ASN A 15 -4.837 3.574 -2.286 1.00 0.00 O ATOM 211 CB ASN A 15 -5.042 3.989 -5.119 1.00 0.00 C ATOM 212 CG ASN A 15 -3.584 4.453 -5.093 1.00 0.00 C ATOM 213 OD1 ASN A 15 -2.983 4.548 -4.041 1.00 0.00 O ATOM 214 ND2 ASN A 15 -2.985 4.751 -6.215 1.00 0.00 N ATOM 0 H ASN A 15 -7.256 2.993 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.612 1.884 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.400 3.940 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.672 4.708 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.014 5.063 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.488 4.672 -7.099 1.00 0.00 H new ATOM 221 N LEU A 16 -3.752 1.706 -2.674 1.00 0.00 N ATOM 222 CA LEU A 16 -3.157 1.715 -1.299 1.00 0.00 C ATOM 223 C LEU A 16 -1.984 2.693 -1.267 1.00 0.00 C ATOM 224 O LEU A 16 -0.909 2.405 -1.755 1.00 0.00 O ATOM 225 CB LEU A 16 -2.647 0.303 -0.950 1.00 0.00 C ATOM 226 CG LEU A 16 -2.480 0.088 0.571 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.402 1.005 1.363 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.829 -1.364 0.904 1.00 0.00 C ATOM 0 H LEU A 16 -3.479 0.918 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.914 2.019 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.343 -0.438 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.690 0.135 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.449 0.315 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.261 0.830 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.168 2.044 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.438 0.798 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.715 -1.529 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.860 -1.566 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.161 -2.033 0.361 1.00 0.00 H new ATOM 240 N TYR A 17 -2.182 3.848 -0.695 1.00 0.00 N ATOM 241 CA TYR A 17 -1.078 4.845 -0.629 1.00 0.00 C ATOM 242 C TYR A 17 -0.344 4.686 0.704 1.00 0.00 C ATOM 243 O TYR A 17 -0.653 5.349 1.673 1.00 0.00 O ATOM 244 CB TYR A 17 -1.663 6.254 -0.726 1.00 0.00 C ATOM 245 CG TYR A 17 -0.784 7.108 -1.608 1.00 0.00 C ATOM 246 CD1 TYR A 17 -0.714 6.855 -2.983 1.00 0.00 C ATOM 247 CD2 TYR A 17 -0.042 8.156 -1.051 1.00 0.00 C ATOM 248 CE1 TYR A 17 0.098 7.649 -3.802 1.00 0.00 C ATOM 249 CE2 TYR A 17 0.772 8.950 -1.869 1.00 0.00 C ATOM 250 CZ TYR A 17 0.841 8.696 -3.245 1.00 0.00 C ATOM 251 OH TYR A 17 1.641 9.479 -4.052 1.00 0.00 O ATOM 0 H TYR A 17 -3.061 4.144 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.383 4.685 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.673 6.212 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.738 6.697 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.287 6.047 -3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.097 8.352 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.151 7.454 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.346 9.758 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 17 2.218 8.904 -4.597 1.00 0.00 H new ATOM 261 N VAL A 18 0.627 3.813 0.765 1.00 0.00 N ATOM 262 CA VAL A 18 1.368 3.623 2.044 1.00 0.00 C ATOM 263 C VAL A 18 2.553 4.586 2.089 1.00 0.00 C ATOM 264 O VAL A 18 3.598 4.324 1.533 1.00 0.00 O ATOM 265 CB VAL A 18 1.867 2.179 2.153 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.721 1.273 2.603 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.375 1.710 0.794 1.00 0.00 C ATOM 0 H VAL A 18 0.937 3.227 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 18 0.700 3.827 2.881 1.00 0.00 H new ATOM 0 HB VAL A 18 2.676 2.133 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.078 0.246 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.356 1.604 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.089 1.322 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.730 0.682 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.565 1.759 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.194 2.353 0.470 1.00 0.00 H new ATOM 277 N THR A 19 2.392 5.702 2.743 1.00 0.00 N ATOM 278 CA THR A 19 3.508 6.692 2.819 1.00 0.00 C ATOM 279 C THR A 19 4.343 6.428 4.074 1.00 0.00 C ATOM 280 O THR A 19 4.241 5.386 4.690 1.00 0.00 O ATOM 281 CB THR A 19 2.925 8.107 2.879 1.00 0.00 C ATOM 282 OG1 THR A 19 1.706 8.144 2.150 1.00 0.00 O ATOM 283 CG2 THR A 19 3.913 9.100 2.266 1.00 0.00 C ATOM 0 H THR A 19 1.537 5.974 3.229 1.00 0.00 H new ATOM 0 HA THR A 19 4.142 6.595 1.938 1.00 0.00 H new ATOM 0 HB THR A 19 2.741 8.378 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.330 9.048 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.494 10.105 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.850 9.072 2.823 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.101 8.831 1.226 1.00 0.00 H new ATOM 291 N ASN A 20 5.175 7.361 4.454 1.00 0.00 N ATOM 292 CA ASN A 20 6.017 7.158 5.665 1.00 0.00 C ATOM 293 C ASN A 20 6.778 5.839 5.530 1.00 0.00 C ATOM 294 O ASN A 20 6.346 4.810 6.010 1.00 0.00 O ATOM 295 CB ASN A 20 5.127 7.110 6.908 1.00 0.00 C ATOM 296 CG ASN A 20 5.636 8.117 7.941 1.00 0.00 C ATOM 297 OD1 ASN A 20 6.188 9.140 7.587 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.475 7.866 9.211 1.00 0.00 N ATOM 0 H ASN A 20 5.307 8.253 3.978 1.00 0.00 H new ATOM 0 HA ASN A 20 6.724 7.982 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.096 7.339 6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.130 6.106 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.813 8.529 9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.011 7.007 9.506 1.00 0.00 H new ATOM 305 N LEU A 21 7.904 5.859 4.875 1.00 0.00 N ATOM 306 CA LEU A 21 8.687 4.604 4.705 1.00 0.00 C ATOM 307 C LEU A 21 10.181 4.928 4.704 1.00 0.00 C ATOM 308 O LEU A 21 10.617 5.835 4.023 1.00 0.00 O ATOM 309 CB LEU A 21 8.309 3.952 3.375 1.00 0.00 C ATOM 310 CG LEU A 21 7.063 3.087 3.566 1.00 0.00 C ATOM 311 CD1 LEU A 21 5.888 3.707 2.808 1.00 0.00 C ATOM 312 CD2 LEU A 21 7.333 1.682 3.026 1.00 0.00 C ATOM 0 H LEU A 21 8.316 6.690 4.450 1.00 0.00 H new ATOM 0 HA LEU A 21 8.465 3.922 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.121 4.718 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.135 3.342 3.009 1.00 0.00 H new ATOM 0 HG LEU A 21 6.820 3.030 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.000 3.090 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.696 4.709 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.130 3.765 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.446 1.063 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.576 1.740 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.170 1.239 3.566 1.00 0.00 H new ATOM 324 N PRO A 22 10.922 4.166 5.463 1.00 0.00 N ATOM 325 CA PRO A 22 12.378 4.414 5.502 1.00 0.00 C ATOM 326 C PRO A 22 13.108 3.355 4.678 1.00 0.00 C ATOM 327 O PRO A 22 14.164 2.880 5.042 1.00 0.00 O ATOM 328 CB PRO A 22 12.748 4.317 6.982 1.00 0.00 C ATOM 329 CG PRO A 22 11.644 3.472 7.645 1.00 0.00 C ATOM 330 CD PRO A 22 10.426 3.528 6.706 1.00 0.00 C ATOM 0 HA PRO A 22 12.656 5.381 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.725 3.851 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.806 5.307 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.976 2.444 7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.393 3.866 8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.036 2.530 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.614 4.106 7.148 1.00 0.00 H new ATOM 338 N ARG A 23 12.537 3.003 3.563 1.00 0.00 N ATOM 339 CA ARG A 23 13.158 1.983 2.668 1.00 0.00 C ATOM 340 C ARG A 23 13.837 0.891 3.497 1.00 0.00 C ATOM 341 O ARG A 23 15.032 0.683 3.410 1.00 0.00 O ATOM 342 CB ARG A 23 14.190 2.665 1.769 1.00 0.00 C ATOM 343 CG ARG A 23 13.511 3.795 0.992 1.00 0.00 C ATOM 344 CD ARG A 23 14.561 4.576 0.201 1.00 0.00 C ATOM 345 NE ARG A 23 14.203 6.023 0.196 1.00 0.00 N ATOM 346 CZ ARG A 23 14.659 6.809 1.132 1.00 0.00 C ATOM 347 NH1 ARG A 23 15.927 6.786 1.442 1.00 0.00 N ATOM 348 NH2 ARG A 23 13.846 7.616 1.758 1.00 0.00 N ATOM 0 H ARG A 23 11.652 3.383 3.226 1.00 0.00 H new ATOM 0 HA ARG A 23 12.382 1.524 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 23 15.008 3.061 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.623 1.942 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.761 3.385 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.990 4.461 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.546 4.435 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.616 4.200 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 23 13.602 6.398 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.560 6.154 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.284 7.400 2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.855 7.631 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.201 8.231 2.490 1.00 0.00 H new ATOM 362 N THR A 24 13.084 0.187 4.296 1.00 0.00 N ATOM 363 CA THR A 24 13.685 -0.896 5.124 1.00 0.00 C ATOM 364 C THR A 24 13.479 -2.240 4.423 1.00 0.00 C ATOM 365 O THR A 24 14.121 -3.222 4.739 1.00 0.00 O ATOM 366 CB THR A 24 13.008 -0.927 6.497 1.00 0.00 C ATOM 367 OG1 THR A 24 13.565 -1.979 7.273 1.00 0.00 O ATOM 368 CG2 THR A 24 11.507 -1.157 6.324 1.00 0.00 C ATOM 0 H THR A 24 12.079 0.315 4.411 1.00 0.00 H new ATOM 0 HA THR A 24 14.751 -0.709 5.252 1.00 0.00 H new ATOM 0 HB THR A 24 13.170 0.024 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.873 -2.695 6.680 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.027 -1.179 7.302 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.081 -0.349 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.341 -2.108 5.817 1.00 0.00 H new ATOM 376 N ILE A 25 12.589 -2.288 3.470 1.00 0.00 N ATOM 377 CA ILE A 25 12.341 -3.567 2.741 1.00 0.00 C ATOM 378 C ILE A 25 12.462 -3.316 1.237 1.00 0.00 C ATOM 379 O ILE A 25 12.711 -2.208 0.803 1.00 0.00 O ATOM 380 CB ILE A 25 10.933 -4.106 3.059 1.00 0.00 C ATOM 381 CG1 ILE A 25 10.190 -3.151 4.001 1.00 0.00 C ATOM 382 CG2 ILE A 25 11.055 -5.474 3.733 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.629 -1.975 3.198 1.00 0.00 C ATOM 0 H ILE A 25 12.022 -1.497 3.164 1.00 0.00 H new ATOM 0 HA ILE A 25 13.077 -4.306 3.059 1.00 0.00 H new ATOM 0 HB ILE A 25 10.374 -4.192 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.381 -3.678 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.866 -2.787 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.060 -5.858 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.567 -6.165 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.625 -5.375 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.101 -1.296 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.447 -1.443 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.939 -2.348 2.441 1.00 0.00 H new ATOM 395 N THR A 26 12.290 -4.333 0.438 1.00 0.00 N ATOM 396 CA THR A 26 12.398 -4.145 -1.036 1.00 0.00 C ATOM 397 C THR A 26 10.999 -4.179 -1.651 1.00 0.00 C ATOM 398 O THR A 26 10.067 -4.704 -1.073 1.00 0.00 O ATOM 399 CB THR A 26 13.253 -5.264 -1.639 1.00 0.00 C ATOM 400 OG1 THR A 26 12.423 -6.368 -1.974 1.00 0.00 O ATOM 401 CG2 THR A 26 14.312 -5.706 -0.626 1.00 0.00 C ATOM 0 H THR A 26 12.080 -5.284 0.741 1.00 0.00 H new ATOM 0 HA THR A 26 12.868 -3.184 -1.247 1.00 0.00 H new ATOM 0 HB THR A 26 13.747 -4.896 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.970 -7.083 -2.361 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.919 -6.502 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.950 -4.859 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.822 -6.072 0.276 1.00 0.00 H new ATOM 409 N ASP A 27 10.845 -3.620 -2.816 1.00 0.00 N ATOM 410 CA ASP A 27 9.506 -3.613 -3.467 1.00 0.00 C ATOM 411 C ASP A 27 8.985 -5.049 -3.589 1.00 0.00 C ATOM 412 O ASP A 27 7.966 -5.399 -3.029 1.00 0.00 O ATOM 413 CB ASP A 27 9.629 -2.988 -4.860 1.00 0.00 C ATOM 414 CG ASP A 27 8.380 -3.307 -5.685 1.00 0.00 C ATOM 415 OD1 ASP A 27 7.393 -3.715 -5.095 1.00 0.00 O ATOM 416 OD2 ASP A 27 8.432 -3.135 -6.891 1.00 0.00 O ATOM 0 H ASP A 27 11.589 -3.167 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 27 8.808 -3.031 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.753 -1.908 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.516 -3.372 -5.364 1.00 0.00 H new ATOM 421 N ASP A 28 9.673 -5.878 -4.323 1.00 0.00 N ATOM 422 CA ASP A 28 9.213 -7.285 -4.493 1.00 0.00 C ATOM 423 C ASP A 28 9.066 -7.964 -3.128 1.00 0.00 C ATOM 424 O ASP A 28 8.455 -9.008 -3.014 1.00 0.00 O ATOM 425 CB ASP A 28 10.233 -8.055 -5.331 1.00 0.00 C ATOM 426 CG ASP A 28 9.503 -8.874 -6.398 1.00 0.00 C ATOM 427 OD1 ASP A 28 8.323 -9.126 -6.219 1.00 0.00 O ATOM 428 OD2 ASP A 28 10.137 -9.235 -7.376 1.00 0.00 O ATOM 0 H ASP A 28 10.536 -5.642 -4.814 1.00 0.00 H new ATOM 0 HA ASP A 28 8.246 -7.282 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.929 -7.362 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.822 -8.713 -4.692 1.00 0.00 H new ATOM 433 N GLN A 29 9.626 -7.399 -2.091 1.00 0.00 N ATOM 434 CA GLN A 29 9.510 -8.048 -0.753 1.00 0.00 C ATOM 435 C GLN A 29 8.108 -7.840 -0.181 1.00 0.00 C ATOM 436 O GLN A 29 7.458 -8.782 0.223 1.00 0.00 O ATOM 437 CB GLN A 29 10.549 -7.467 0.209 1.00 0.00 C ATOM 438 CG GLN A 29 11.339 -8.614 0.848 1.00 0.00 C ATOM 439 CD GLN A 29 12.609 -8.070 1.506 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.679 -6.909 1.850 1.00 0.00 O ATOM 441 NE2 GLN A 29 13.623 -8.868 1.697 1.00 0.00 N ATOM 0 H GLN A 29 10.153 -6.526 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 29 9.691 -9.116 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.224 -6.798 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.057 -6.874 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.723 -9.122 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.600 -9.353 0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.565 -9.844 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.474 -8.516 2.135 1.00 0.00 H new ATOM 450 N LEU A 30 7.628 -6.628 -0.135 1.00 0.00 N ATOM 451 CA LEU A 30 6.262 -6.411 0.419 1.00 0.00 C ATOM 452 C LEU A 30 5.319 -7.446 -0.197 1.00 0.00 C ATOM 453 O LEU A 30 4.390 -7.898 0.431 1.00 0.00 O ATOM 454 CB LEU A 30 5.771 -5.001 0.086 1.00 0.00 C ATOM 455 CG LEU A 30 5.909 -4.097 1.318 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.392 -3.890 1.630 1.00 0.00 C ATOM 457 CD2 LEU A 30 5.259 -2.744 1.022 1.00 0.00 C ATOM 0 H LEU A 30 8.114 -5.789 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 30 6.285 -6.520 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.348 -4.592 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.730 -5.035 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 30 5.418 -4.562 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.494 -3.248 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.860 -4.854 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.881 -3.420 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.354 -2.096 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.756 -2.280 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.204 -2.890 0.791 1.00 0.00 H new ATOM 469 N ASP A 31 5.563 -7.841 -1.418 1.00 0.00 N ATOM 470 CA ASP A 31 4.683 -8.862 -2.056 1.00 0.00 C ATOM 471 C ASP A 31 4.505 -10.031 -1.084 1.00 0.00 C ATOM 472 O ASP A 31 3.401 -10.435 -0.764 1.00 0.00 O ATOM 473 CB ASP A 31 5.336 -9.368 -3.345 1.00 0.00 C ATOM 474 CG ASP A 31 4.510 -10.519 -3.919 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.434 -11.549 -3.269 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.967 -10.352 -4.999 1.00 0.00 O ATOM 0 H ASP A 31 6.330 -7.502 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 31 3.715 -8.422 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.405 -8.559 -4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.353 -9.702 -3.142 1.00 0.00 H new ATOM 481 N THR A 32 5.593 -10.570 -0.605 1.00 0.00 N ATOM 482 CA THR A 32 5.511 -11.701 0.358 1.00 0.00 C ATOM 483 C THR A 32 4.815 -11.221 1.634 1.00 0.00 C ATOM 484 O THR A 32 3.993 -11.912 2.204 1.00 0.00 O ATOM 485 CB THR A 32 6.926 -12.180 0.692 1.00 0.00 C ATOM 486 OG1 THR A 32 7.460 -12.885 -0.420 1.00 0.00 O ATOM 487 CG2 THR A 32 6.880 -13.104 1.910 1.00 0.00 C ATOM 0 H THR A 32 6.540 -10.273 -0.842 1.00 0.00 H new ATOM 0 HA THR A 32 4.944 -12.523 -0.079 1.00 0.00 H new ATOM 0 HB THR A 32 7.558 -11.320 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.367 -13.191 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.888 -13.444 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.470 -12.562 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.249 -13.965 1.690 1.00 0.00 H new ATOM 495 N ILE A 33 5.136 -10.038 2.086 1.00 0.00 N ATOM 496 CA ILE A 33 4.491 -9.510 3.322 1.00 0.00 C ATOM 497 C ILE A 33 2.990 -9.324 3.058 1.00 0.00 C ATOM 498 O ILE A 33 2.204 -9.138 3.967 1.00 0.00 O ATOM 499 CB ILE A 33 5.161 -8.173 3.712 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.394 -8.150 5.224 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.291 -6.969 3.317 1.00 0.00 C ATOM 502 CD1 ILE A 33 6.889 -8.303 5.512 1.00 0.00 C ATOM 0 H ILE A 33 5.817 -9.415 1.652 1.00 0.00 H new ATOM 0 HA ILE A 33 4.614 -10.209 4.150 1.00 0.00 H new ATOM 0 HB ILE A 33 6.108 -8.098 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.025 -7.215 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.836 -8.956 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.794 -6.046 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.132 -6.973 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.329 -7.033 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.056 -8.287 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.243 -9.250 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.435 -7.482 5.048 1.00 0.00 H new ATOM 514 N PHE A 34 2.596 -9.375 1.816 1.00 0.00 N ATOM 515 CA PHE A 34 1.160 -9.203 1.470 1.00 0.00 C ATOM 516 C PHE A 34 0.452 -10.549 1.626 1.00 0.00 C ATOM 517 O PHE A 34 -0.279 -10.769 2.572 1.00 0.00 O ATOM 518 CB PHE A 34 1.042 -8.718 0.018 1.00 0.00 C ATOM 519 CG PHE A 34 1.532 -7.287 -0.100 1.00 0.00 C ATOM 520 CD1 PHE A 34 2.204 -6.672 0.968 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.313 -6.572 -1.286 1.00 0.00 C ATOM 522 CE1 PHE A 34 2.649 -5.350 0.851 1.00 0.00 C ATOM 523 CE2 PHE A 34 1.759 -5.249 -1.401 1.00 0.00 C ATOM 524 CZ PHE A 34 2.428 -4.642 -0.332 1.00 0.00 C ATOM 0 H PHE A 34 3.214 -9.530 1.020 1.00 0.00 H new ATOM 0 HA PHE A 34 0.700 -8.468 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.626 -9.365 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.005 -8.783 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.378 -7.220 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.800 -7.042 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.163 -4.878 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.587 -4.698 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.774 -3.623 -0.422 1.00 0.00 H new ATOM 534 N GLY A 35 0.669 -11.456 0.714 1.00 0.00 N ATOM 535 CA GLY A 35 0.014 -12.787 0.826 1.00 0.00 C ATOM 536 C GLY A 35 -0.351 -13.302 -0.564 1.00 0.00 C ATOM 537 O GLY A 35 0.433 -13.959 -1.217 1.00 0.00 O ATOM 0 H GLY A 35 1.270 -11.333 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.683 -13.491 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.882 -12.711 1.443 1.00 0.00 H new ATOM 541 N LYS A 36 -1.537 -13.000 -1.017 1.00 0.00 N ATOM 542 CA LYS A 36 -1.978 -13.461 -2.369 1.00 0.00 C ATOM 543 C LYS A 36 -3.503 -13.350 -2.483 1.00 0.00 C ATOM 544 O LYS A 36 -4.167 -14.259 -2.937 1.00 0.00 O ATOM 545 CB LYS A 36 -1.571 -14.922 -2.588 1.00 0.00 C ATOM 546 CG LYS A 36 -2.008 -15.761 -1.387 1.00 0.00 C ATOM 547 CD LYS A 36 -3.254 -16.568 -1.760 1.00 0.00 C ATOM 548 CE LYS A 36 -3.109 -18.002 -1.252 1.00 0.00 C ATOM 549 NZ LYS A 36 -3.028 -17.995 0.236 1.00 0.00 N ATOM 0 H LYS A 36 -2.227 -12.449 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.502 -12.833 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.030 -15.306 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.492 -14.993 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.203 -16.431 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.221 -15.115 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.141 -16.106 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.390 -16.567 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.958 -18.602 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.214 -18.460 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.117 -18.968 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.113 -17.600 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.798 -17.413 0.623 1.00 0.00 H new ATOM 563 N TYR A 37 -4.065 -12.238 -2.095 1.00 0.00 N ATOM 564 CA TYR A 37 -5.548 -12.081 -2.213 1.00 0.00 C ATOM 565 C TYR A 37 -5.860 -11.728 -3.666 1.00 0.00 C ATOM 566 O TYR A 37 -6.198 -12.578 -4.466 1.00 0.00 O ATOM 567 CB TYR A 37 -6.075 -10.960 -1.290 1.00 0.00 C ATOM 568 CG TYR A 37 -4.964 -10.400 -0.435 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.282 -11.227 0.466 1.00 0.00 C ATOM 570 CD2 TYR A 37 -4.613 -9.051 -0.552 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.249 -10.702 1.252 1.00 0.00 C ATOM 572 CE2 TYR A 37 -3.580 -8.527 0.233 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.898 -9.352 1.134 1.00 0.00 C ATOM 574 OH TYR A 37 -1.878 -8.834 1.905 1.00 0.00 O ATOM 0 H TYR A 37 -3.570 -11.437 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.034 -13.009 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.513 -10.164 -1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.868 -11.351 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.553 -12.269 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.139 -8.414 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.723 -11.338 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.309 -7.485 0.143 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.529 -9.532 2.498 1.00 0.00 H new ATOM 584 N GLY A 38 -5.708 -10.486 -4.016 1.00 0.00 N ATOM 585 CA GLY A 38 -5.947 -10.069 -5.423 1.00 0.00 C ATOM 586 C GLY A 38 -4.587 -9.837 -6.070 1.00 0.00 C ATOM 587 O GLY A 38 -3.582 -9.757 -5.392 1.00 0.00 O ATOM 0 H GLY A 38 -5.427 -9.736 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.502 -10.837 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.548 -9.160 -5.457 1.00 0.00 H new ATOM 591 N SER A 39 -4.529 -9.723 -7.361 1.00 0.00 N ATOM 592 CA SER A 39 -3.212 -9.491 -8.001 1.00 0.00 C ATOM 593 C SER A 39 -2.852 -8.019 -7.835 1.00 0.00 C ATOM 594 O SER A 39 -3.261 -7.188 -8.621 1.00 0.00 O ATOM 595 CB SER A 39 -3.285 -9.842 -9.487 1.00 0.00 C ATOM 596 OG SER A 39 -3.827 -11.147 -9.636 1.00 0.00 O ATOM 0 H SER A 39 -5.326 -9.779 -7.995 1.00 0.00 H new ATOM 0 HA SER A 39 -2.454 -10.119 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.905 -9.116 -10.014 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.291 -9.796 -9.933 1.00 0.00 H new ATOM 0 HG SER A 39 -3.877 -11.374 -10.588 1.00 0.00 H new ATOM 602 N ILE A 40 -2.098 -7.692 -6.806 1.00 0.00 N ATOM 603 CA ILE A 40 -1.705 -6.269 -6.568 1.00 0.00 C ATOM 604 C ILE A 40 -1.508 -5.580 -7.920 1.00 0.00 C ATOM 605 O ILE A 40 -0.672 -5.970 -8.709 1.00 0.00 O ATOM 606 CB ILE A 40 -0.403 -6.228 -5.759 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.624 -6.902 -4.401 1.00 0.00 C ATOM 608 CG2 ILE A 40 0.021 -4.774 -5.538 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.080 -8.260 -4.379 1.00 0.00 C ATOM 0 H ILE A 40 -1.739 -8.356 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.484 -5.752 -6.007 1.00 0.00 H new ATOM 0 HB ILE A 40 0.378 -6.755 -6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.238 -6.268 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.691 -7.031 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.947 -4.748 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.179 -4.291 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.761 -4.246 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.079 -8.737 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.327 -8.894 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.148 -8.119 -4.542 1.00 0.00 H new ATOM 621 N VAL A 41 -2.301 -4.585 -8.209 1.00 0.00 N ATOM 622 CA VAL A 41 -2.185 -3.908 -9.529 1.00 0.00 C ATOM 623 C VAL A 41 -1.020 -2.903 -9.533 1.00 0.00 C ATOM 624 O VAL A 41 -0.936 -2.045 -10.391 1.00 0.00 O ATOM 625 CB VAL A 41 -3.526 -3.230 -9.868 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.668 -4.084 -9.317 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.619 -1.843 -9.238 1.00 0.00 C ATOM 0 H VAL A 41 -3.021 -4.213 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.963 -4.647 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.594 -3.132 -10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.622 -3.612 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.632 -5.075 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.565 -4.175 -8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.576 -1.390 -9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.538 -1.929 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.809 -1.218 -9.614 1.00 0.00 H new ATOM 637 N GLN A 42 -0.096 -3.035 -8.605 1.00 0.00 N ATOM 638 CA GLN A 42 1.092 -2.126 -8.568 1.00 0.00 C ATOM 639 C GLN A 42 1.778 -2.212 -7.209 1.00 0.00 C ATOM 640 O GLN A 42 1.145 -2.255 -6.173 1.00 0.00 O ATOM 641 CB GLN A 42 0.676 -0.679 -8.838 1.00 0.00 C ATOM 642 CG GLN A 42 1.407 -0.157 -10.078 1.00 0.00 C ATOM 643 CD GLN A 42 2.920 -0.225 -9.854 1.00 0.00 C ATOM 644 OE1 GLN A 42 3.677 -0.395 -10.789 1.00 0.00 O ATOM 645 NE2 GLN A 42 3.397 -0.097 -8.646 1.00 0.00 N ATOM 0 H GLN A 42 -0.118 -3.740 -7.868 1.00 0.00 H new ATOM 0 HA GLN A 42 1.786 -2.444 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.402 -0.622 -8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.911 -0.055 -7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.132 -0.750 -10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.106 0.870 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.763 0.046 -7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.404 -0.140 -8.488 1.00 0.00 H new ATOM 654 N LYS A 43 3.081 -2.238 -7.219 1.00 0.00 N ATOM 655 CA LYS A 43 3.846 -2.319 -5.949 1.00 0.00 C ATOM 656 C LYS A 43 5.146 -1.528 -6.096 1.00 0.00 C ATOM 657 O LYS A 43 6.206 -2.088 -6.276 1.00 0.00 O ATOM 658 CB LYS A 43 4.173 -3.783 -5.646 1.00 0.00 C ATOM 659 CG LYS A 43 4.474 -3.926 -4.160 1.00 0.00 C ATOM 660 CD LYS A 43 5.104 -5.298 -3.880 1.00 0.00 C ATOM 661 CE LYS A 43 4.229 -6.397 -4.491 1.00 0.00 C ATOM 662 NZ LYS A 43 4.864 -6.903 -5.741 1.00 0.00 N ATOM 0 H LYS A 43 3.653 -2.206 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 43 3.253 -1.903 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.334 -4.421 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.030 -4.108 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.151 -3.134 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.556 -3.814 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.108 -5.342 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.202 -5.452 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.102 -7.213 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.235 -6.006 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.492 -7.849 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.649 -6.256 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.894 -6.958 -5.610 1.00 0.00 H new ATOM 676 N ASN A 44 5.073 -0.226 -6.031 1.00 0.00 N ATOM 677 CA ASN A 44 6.309 0.594 -6.177 1.00 0.00 C ATOM 678 C ASN A 44 6.878 0.920 -4.793 1.00 0.00 C ATOM 679 O ASN A 44 6.282 0.612 -3.780 1.00 0.00 O ATOM 680 CB ASN A 44 5.972 1.891 -6.916 1.00 0.00 C ATOM 681 CG ASN A 44 7.247 2.483 -7.519 1.00 0.00 C ATOM 682 OD1 ASN A 44 7.502 3.663 -7.389 1.00 0.00 O ATOM 683 ND2 ASN A 44 8.062 1.708 -8.180 1.00 0.00 N ATOM 0 H ASN A 44 4.214 0.304 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 44 7.052 0.035 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.243 1.695 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.517 2.605 -6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.914 2.093 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.847 0.717 -8.289 1.00 0.00 H new ATOM 690 N ILE A 45 8.030 1.535 -4.738 1.00 0.00 N ATOM 691 CA ILE A 45 8.628 1.866 -3.412 1.00 0.00 C ATOM 692 C ILE A 45 8.971 3.355 -3.340 1.00 0.00 C ATOM 693 O ILE A 45 9.953 3.807 -3.895 1.00 0.00 O ATOM 694 CB ILE A 45 9.901 1.044 -3.197 1.00 0.00 C ATOM 695 CG1 ILE A 45 10.581 1.490 -1.899 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.863 1.264 -4.368 1.00 0.00 C ATOM 697 CD1 ILE A 45 11.290 0.297 -1.252 1.00 0.00 C ATOM 0 H ILE A 45 8.579 1.821 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 45 7.902 1.628 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 45 9.640 -0.012 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.299 2.283 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.841 1.902 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.768 0.677 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.384 0.951 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.123 2.321 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.773 0.618 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.561 -0.482 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.042 -0.095 -1.937 1.00 0.00 H new ATOM 709 N LEU A 46 8.176 4.112 -2.640 1.00 0.00 N ATOM 710 CA LEU A 46 8.446 5.567 -2.499 1.00 0.00 C ATOM 711 C LEU A 46 8.622 6.199 -3.871 1.00 0.00 C ATOM 712 O LEU A 46 7.915 5.873 -4.787 1.00 0.00 O ATOM 713 CB LEU A 46 9.664 5.753 -1.599 1.00 0.00 C ATOM 714 CG LEU A 46 9.180 5.591 -0.159 1.00 0.00 C ATOM 715 CD1 LEU A 46 8.443 4.258 -0.015 1.00 0.00 C ATOM 716 CD2 LEU A 46 10.366 5.624 0.793 1.00 0.00 C ATOM 0 H LEU A 46 7.342 3.781 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 46 7.603 6.075 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.433 5.017 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.108 6.737 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 46 8.503 6.410 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.098 4.142 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.587 4.241 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.119 3.440 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.013 5.508 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.050 4.811 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.886 6.577 0.694 1.00 0.00 H new ATOM 728 N ARG A 47 9.520 7.117 -4.018 1.00 0.00 N ATOM 729 CA ARG A 47 9.723 7.760 -5.351 1.00 0.00 C ATOM 730 C ARG A 47 11.073 8.480 -5.370 1.00 0.00 C ATOM 731 O ARG A 47 11.325 9.361 -4.574 1.00 0.00 O ATOM 732 CB ARG A 47 8.593 8.745 -5.657 1.00 0.00 C ATOM 733 CG ARG A 47 8.079 8.487 -7.077 1.00 0.00 C ATOM 734 CD ARG A 47 9.263 8.451 -8.048 1.00 0.00 C ATOM 735 NE ARG A 47 8.985 9.336 -9.214 1.00 0.00 N ATOM 736 CZ ARG A 47 8.132 8.966 -10.129 1.00 0.00 C ATOM 737 NH1 ARG A 47 6.852 9.142 -9.938 1.00 0.00 N ATOM 738 NH2 ARG A 47 8.558 8.422 -11.237 1.00 0.00 N ATOM 0 H ARG A 47 10.130 7.458 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 47 9.714 6.987 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.784 8.626 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.952 9.770 -5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.536 7.543 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.378 9.269 -7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.171 8.776 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.436 7.430 -8.388 1.00 0.00 H new ATOM 0 HE ARG A 47 9.463 10.233 -9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.519 9.569 -9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.185 8.853 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.558 8.286 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.891 8.133 -11.952 1.00 0.00 H new ATOM 888 N GLY A 56 7.277 10.606 -3.200 1.00 0.00 N ATOM 889 CA GLY A 56 8.014 9.496 -2.529 1.00 0.00 C ATOM 890 C GLY A 56 7.053 8.721 -1.629 1.00 0.00 C ATOM 891 O GLY A 56 6.807 9.108 -0.506 1.00 0.00 O ATOM 0 HA2 GLY A 56 8.449 8.830 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.839 9.896 -1.940 1.00 0.00 H new ATOM 895 N VAL A 57 6.509 7.624 -2.103 1.00 0.00 N ATOM 896 CA VAL A 57 5.561 6.844 -1.238 1.00 0.00 C ATOM 897 C VAL A 57 5.459 5.399 -1.738 1.00 0.00 C ATOM 898 O VAL A 57 5.650 5.126 -2.903 1.00 0.00 O ATOM 899 CB VAL A 57 4.177 7.504 -1.302 1.00 0.00 C ATOM 900 CG1 VAL A 57 3.211 6.789 -0.357 1.00 0.00 C ATOM 901 CG2 VAL A 57 4.296 8.970 -0.882 1.00 0.00 C ATOM 0 H VAL A 57 6.675 7.239 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 57 5.928 6.837 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 57 3.797 7.438 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.232 7.265 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.123 5.743 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.589 6.849 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.314 9.442 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.680 9.027 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.978 9.487 -1.556 1.00 0.00 H new ATOM 911 N ALA A 58 5.147 4.468 -0.877 1.00 0.00 N ATOM 912 CA ALA A 58 5.022 3.061 -1.343 1.00 0.00 C ATOM 913 C ALA A 58 3.693 2.953 -2.080 1.00 0.00 C ATOM 914 O ALA A 58 2.657 3.370 -1.592 1.00 0.00 O ATOM 915 CB ALA A 58 5.048 2.104 -0.150 1.00 0.00 C ATOM 0 H ALA A 58 4.975 4.620 0.117 1.00 0.00 H new ATOM 0 HA ALA A 58 5.851 2.793 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.956 1.078 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.989 2.219 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.218 2.333 0.518 1.00 0.00 H new ATOM 921 N PHE A 59 3.722 2.463 -3.281 1.00 0.00 N ATOM 922 CA PHE A 59 2.474 2.404 -4.078 1.00 0.00 C ATOM 923 C PHE A 59 1.891 0.991 -4.130 1.00 0.00 C ATOM 924 O PHE A 59 2.064 0.272 -5.094 1.00 0.00 O ATOM 925 CB PHE A 59 2.789 2.884 -5.492 1.00 0.00 C ATOM 926 CG PHE A 59 3.197 4.340 -5.444 1.00 0.00 C ATOM 927 CD1 PHE A 59 4.526 4.697 -5.171 1.00 0.00 C ATOM 928 CD2 PHE A 59 2.244 5.336 -5.682 1.00 0.00 C ATOM 929 CE1 PHE A 59 4.892 6.049 -5.138 1.00 0.00 C ATOM 930 CE2 PHE A 59 2.613 6.685 -5.651 1.00 0.00 C ATOM 931 CZ PHE A 59 3.938 7.042 -5.379 1.00 0.00 C ATOM 0 H PHE A 59 4.555 2.101 -3.745 1.00 0.00 H new ATOM 0 HA PHE A 59 1.727 3.041 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.590 2.283 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.917 2.759 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.265 3.931 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.220 5.063 -5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.914 6.325 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.875 7.451 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.223 8.083 -5.355 1.00 0.00 H new ATOM 941 N VAL A 60 1.150 0.609 -3.124 1.00 0.00 N ATOM 942 CA VAL A 60 0.500 -0.730 -3.145 1.00 0.00 C ATOM 943 C VAL A 60 -0.828 -0.548 -3.877 1.00 0.00 C ATOM 944 O VAL A 60 -1.875 -0.444 -3.280 1.00 0.00 O ATOM 945 CB VAL A 60 0.257 -1.216 -1.706 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.886 -2.239 -1.667 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.524 -1.877 -1.177 1.00 0.00 C ATOM 0 H VAL A 60 0.968 1.167 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 60 1.124 -1.473 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.011 -0.358 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.043 -2.571 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.800 -1.778 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.629 -3.096 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.355 -2.223 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.783 -2.726 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.341 -1.156 -1.185 1.00 0.00 H new ATOM 957 N ARG A 61 -0.795 -0.466 -5.170 1.00 0.00 N ATOM 958 CA ARG A 61 -2.056 -0.234 -5.911 1.00 0.00 C ATOM 959 C ARG A 61 -2.879 -1.519 -5.992 1.00 0.00 C ATOM 960 O ARG A 61 -2.516 -2.476 -6.645 1.00 0.00 O ATOM 961 CB ARG A 61 -1.732 0.257 -7.319 1.00 0.00 C ATOM 962 CG ARG A 61 -2.597 1.473 -7.653 1.00 0.00 C ATOM 963 CD ARG A 61 -3.000 1.425 -9.129 1.00 0.00 C ATOM 964 NE ARG A 61 -1.806 1.691 -9.982 1.00 0.00 N ATOM 965 CZ ARG A 61 -1.844 1.443 -11.266 1.00 0.00 C ATOM 966 NH1 ARG A 61 -2.845 0.779 -11.780 1.00 0.00 N ATOM 967 NH2 ARG A 61 -0.876 1.857 -12.036 1.00 0.00 N ATOM 0 H ARG A 61 0.044 -0.549 -5.744 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.641 0.518 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.676 0.519 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.911 -0.539 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.486 1.484 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.048 2.391 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.422 0.449 -9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.775 2.165 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.956 2.068 -9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.602 0.451 -11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.870 0.588 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.092 2.373 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.903 1.665 -13.037 1.00 0.00 H new ATOM 981 N TYR A 62 -4.006 -1.512 -5.337 1.00 0.00 N ATOM 982 CA TYR A 62 -4.929 -2.683 -5.356 1.00 0.00 C ATOM 983 C TYR A 62 -6.199 -2.227 -6.068 1.00 0.00 C ATOM 984 O TYR A 62 -6.266 -1.118 -6.559 1.00 0.00 O ATOM 985 CB TYR A 62 -5.294 -3.084 -3.922 1.00 0.00 C ATOM 986 CG TYR A 62 -4.268 -4.038 -3.362 1.00 0.00 C ATOM 987 CD1 TYR A 62 -2.904 -3.786 -3.535 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.688 -5.172 -2.657 1.00 0.00 C ATOM 989 CE1 TYR A 62 -1.958 -4.671 -3.004 1.00 0.00 C ATOM 990 CE2 TYR A 62 -3.743 -6.056 -2.127 1.00 0.00 C ATOM 991 CZ TYR A 62 -2.378 -5.807 -2.299 1.00 0.00 C ATOM 992 OH TYR A 62 -1.445 -6.679 -1.776 1.00 0.00 O ATOM 0 H TYR A 62 -4.334 -0.726 -4.776 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.462 -3.533 -5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.354 -2.195 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.279 -3.551 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.580 -2.910 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.742 -5.364 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.904 -4.478 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.068 -6.932 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.597 -6.207 -1.638 1.00 0.00 H new ATOM 1002 N ASN A 63 -7.219 -3.033 -6.112 1.00 0.00 N ATOM 1003 CA ASN A 63 -8.461 -2.556 -6.779 1.00 0.00 C ATOM 1004 C ASN A 63 -9.684 -2.819 -5.883 1.00 0.00 C ATOM 1005 O ASN A 63 -9.947 -2.074 -4.963 1.00 0.00 O ATOM 1006 CB ASN A 63 -8.663 -3.226 -8.135 1.00 0.00 C ATOM 1007 CG ASN A 63 -8.050 -4.628 -8.129 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -6.917 -4.809 -7.730 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -8.757 -5.635 -8.565 1.00 0.00 N ATOM 0 H ASN A 63 -7.250 -3.977 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.354 -1.484 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.727 -3.288 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.203 -2.624 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.358 -6.574 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.708 -5.483 -8.900 1.00 0.00 H new ATOM 1016 N LYS A 64 -10.434 -3.864 -6.164 1.00 0.00 N ATOM 1017 CA LYS A 64 -11.663 -4.190 -5.362 1.00 0.00 C ATOM 1018 C LYS A 64 -11.589 -3.609 -3.946 1.00 0.00 C ATOM 1019 O LYS A 64 -10.571 -3.674 -3.282 1.00 0.00 O ATOM 1020 CB LYS A 64 -11.820 -5.708 -5.270 1.00 0.00 C ATOM 1021 CG LYS A 64 -13.067 -6.044 -4.450 1.00 0.00 C ATOM 1022 CD LYS A 64 -13.736 -7.293 -5.027 1.00 0.00 C ATOM 1023 CE LYS A 64 -14.907 -7.702 -4.132 1.00 0.00 C ATOM 1024 NZ LYS A 64 -16.052 -6.773 -4.355 1.00 0.00 N ATOM 0 H LYS A 64 -10.243 -4.514 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.520 -3.745 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.902 -6.137 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.937 -6.148 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.795 -6.213 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.763 -5.205 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.089 -7.095 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.014 -8.107 -5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.207 -8.726 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.604 -7.678 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.881 -7.110 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.795 -5.820 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.280 -6.741 -5.369 1.00 0.00 H new ATOM 1038 N ARG A 65 -12.672 -3.044 -3.482 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.685 -2.457 -2.112 1.00 0.00 C ATOM 1040 C ARG A 65 -12.274 -3.533 -1.109 1.00 0.00 C ATOM 1041 O ARG A 65 -11.372 -3.344 -0.314 1.00 0.00 O ATOM 1042 CB ARG A 65 -14.091 -1.952 -1.775 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.753 -1.360 -3.025 1.00 0.00 C ATOM 1044 CD ARG A 65 -13.749 -0.487 -3.783 1.00 0.00 C ATOM 1045 NE ARG A 65 -14.387 0.813 -4.131 1.00 0.00 N ATOM 1046 CZ ARG A 65 -15.057 1.475 -3.226 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -14.439 2.315 -2.441 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -16.344 1.296 -3.106 1.00 0.00 N ATOM 0 H ARG A 65 -13.550 -2.964 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.988 -1.620 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.696 -2.771 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.036 -1.197 -0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.112 -2.161 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.622 -0.767 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.863 -0.318 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.418 -0.996 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.301 1.186 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.433 2.454 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.962 2.832 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.827 0.639 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.867 1.813 -2.399 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.918 -4.669 -1.143 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.541 -5.750 -0.195 1.00 0.00 C ATOM 1064 C GLU A 66 -11.038 -5.979 -0.313 1.00 0.00 C ATOM 1065 O GLU A 66 -10.345 -6.177 0.667 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.292 -7.035 -0.547 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.822 -7.683 0.733 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.694 -8.451 1.423 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -11.642 -7.866 1.624 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.899 -9.611 1.738 1.00 0.00 O ATOM 0 H GLU A 66 -13.682 -4.892 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.801 -5.466 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.117 -6.813 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.629 -7.725 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.218 -6.919 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.645 -8.358 0.497 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.523 -5.933 -1.511 1.00 0.00 N ATOM 1078 CA GLU A 67 -9.063 -6.123 -1.689 1.00 0.00 C ATOM 1079 C GLU A 67 -8.342 -5.205 -0.708 1.00 0.00 C ATOM 1080 O GLU A 67 -7.441 -5.617 -0.010 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.665 -5.760 -3.120 1.00 0.00 C ATOM 1082 CG GLU A 67 -7.894 -6.924 -3.744 1.00 0.00 C ATOM 1083 CD GLU A 67 -8.167 -6.967 -5.248 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -9.244 -7.400 -5.622 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -7.294 -6.566 -6.001 1.00 0.00 O ATOM 0 H GLU A 67 -11.051 -5.772 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.793 -7.163 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.554 -5.539 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.050 -4.860 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.826 -6.807 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.196 -7.864 -3.282 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.745 -3.964 -0.637 1.00 0.00 N ATOM 1093 CA ALA A 68 -8.089 -3.030 0.318 1.00 0.00 C ATOM 1094 C ALA A 68 -8.213 -3.600 1.727 1.00 0.00 C ATOM 1095 O ALA A 68 -7.298 -3.529 2.512 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.766 -1.662 0.265 1.00 0.00 C ATOM 0 H ALA A 68 -9.496 -3.560 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.039 -2.915 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.278 -0.987 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.687 -1.256 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.818 -1.766 0.533 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.335 -4.178 2.054 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.483 -4.763 3.416 1.00 0.00 C ATOM 1104 C GLN A 69 -8.284 -5.675 3.677 1.00 0.00 C ATOM 1105 O GLN A 69 -7.763 -5.743 4.773 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.777 -5.578 3.489 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.740 -4.921 4.481 1.00 0.00 C ATOM 1108 CD GLN A 69 -11.050 -4.762 5.839 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -11.302 -3.812 6.554 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -10.184 -5.658 6.227 1.00 0.00 N ATOM 0 H GLN A 69 -10.148 -4.270 1.445 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.524 -3.971 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.238 -5.637 2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.559 -6.600 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.056 -3.947 4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.639 -5.528 4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.972 -6.456 5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.719 -5.561 7.130 1.00 0.00 H new ATOM 1119 N GLU A 70 -7.838 -6.368 2.663 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.662 -7.275 2.819 1.00 0.00 C ATOM 1121 C GLU A 70 -5.380 -6.449 2.897 1.00 0.00 C ATOM 1122 O GLU A 70 -4.658 -6.477 3.873 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.557 -8.181 1.595 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.541 -9.343 1.725 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.362 -9.463 0.439 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -7.836 -9.128 -0.610 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.502 -9.888 0.525 1.00 0.00 O ATOM 0 H GLU A 70 -8.241 -6.345 1.726 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.790 -7.864 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.770 -7.612 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.540 -8.562 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.001 -10.271 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.201 -9.181 2.577 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.089 -5.736 1.847 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.851 -4.917 1.796 1.00 0.00 C ATOM 1136 C ALA A 71 -3.752 -3.995 3.021 1.00 0.00 C ATOM 1137 O ALA A 71 -2.708 -3.453 3.324 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.876 -4.075 0.522 1.00 0.00 C ATOM 0 H ALA A 71 -5.668 -5.686 1.008 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.985 -5.579 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.973 -3.467 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.923 -4.731 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.751 -3.425 0.533 1.00 0.00 H new ATOM 1144 N ILE A 72 -4.822 -3.798 3.725 1.00 0.00 N ATOM 1145 CA ILE A 72 -4.760 -2.910 4.914 1.00 0.00 C ATOM 1146 C ILE A 72 -4.461 -3.745 6.158 1.00 0.00 C ATOM 1147 O ILE A 72 -3.464 -3.554 6.818 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.087 -2.170 5.064 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.208 -1.157 3.917 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.118 -1.443 6.412 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -7.256 -0.096 4.261 1.00 0.00 C ATOM 0 H ILE A 72 -5.735 -4.210 3.532 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.964 -2.176 4.789 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.920 -2.873 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.243 -0.682 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.487 -1.670 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.065 -0.915 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.014 -2.168 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.297 -0.728 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.334 0.618 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.222 -0.576 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.959 0.427 5.170 1.00 0.00 H new ATOM 1163 N SER A 73 -5.308 -4.679 6.482 1.00 0.00 N ATOM 1164 CA SER A 73 -5.055 -5.523 7.684 1.00 0.00 C ATOM 1165 C SER A 73 -3.815 -6.398 7.458 1.00 0.00 C ATOM 1166 O SER A 73 -3.372 -7.098 8.347 1.00 0.00 O ATOM 1167 CB SER A 73 -6.268 -6.414 7.946 1.00 0.00 C ATOM 1168 OG SER A 73 -6.019 -7.222 9.089 1.00 0.00 O ATOM 0 H SER A 73 -6.163 -4.896 5.969 1.00 0.00 H new ATOM 0 HA SER A 73 -4.884 -4.877 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.156 -5.802 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.466 -7.043 7.078 1.00 0.00 H new ATOM 0 HG SER A 73 -5.052 -7.301 9.230 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.250 -6.371 6.278 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.045 -7.207 6.011 1.00 0.00 C ATOM 1176 C ALA A 74 -0.822 -6.308 5.793 1.00 0.00 C ATOM 1177 O ALA A 74 0.195 -6.467 6.439 1.00 0.00 O ATOM 1178 CB ALA A 74 -2.279 -8.058 4.762 1.00 0.00 C ATOM 0 H ALA A 74 -3.571 -5.807 5.491 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.865 -7.856 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.397 -8.669 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.142 -8.705 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.465 -7.407 3.908 1.00 0.00 H new ATOM 1184 N LEU A 75 -0.904 -5.370 4.885 1.00 0.00 N ATOM 1185 CA LEU A 75 0.269 -4.480 4.633 1.00 0.00 C ATOM 1186 C LEU A 75 0.312 -3.366 5.682 1.00 0.00 C ATOM 1187 O LEU A 75 1.372 -3.010 6.156 1.00 0.00 O ATOM 1188 CB LEU A 75 0.175 -3.868 3.232 1.00 0.00 C ATOM 1189 CG LEU A 75 -0.518 -4.839 2.268 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.183 -4.453 0.828 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -0.052 -6.274 2.529 1.00 0.00 C ATOM 0 H LEU A 75 -1.726 -5.182 4.311 1.00 0.00 H new ATOM 0 HA LEU A 75 1.181 -5.072 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.379 -2.931 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.173 -3.631 2.864 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.595 -4.782 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.675 -5.143 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.530 -3.438 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.896 -4.502 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.553 -6.951 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.026 -6.339 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.297 -6.556 3.553 1.00 0.00 H new ATOM 1203 N ASN A 76 -0.822 -2.816 6.063 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.802 -1.737 7.100 1.00 0.00 C ATOM 1205 C ASN A 76 0.153 -2.172 8.202 1.00 0.00 C ATOM 1206 O ASN A 76 -0.097 -3.129 8.910 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.199 -1.541 7.696 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.190 -0.334 8.638 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -1.141 0.115 9.056 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.321 0.212 8.991 1.00 0.00 N ATOM 0 H ASN A 76 -1.744 -3.065 5.706 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.483 -0.797 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.927 -1.388 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.503 -2.436 8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.325 1.016 9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.201 -0.165 8.640 1.00 0.00 H new ATOM 1217 N ASN A 77 1.258 -1.503 8.332 1.00 0.00 N ATOM 1218 CA ASN A 77 2.247 -1.897 9.367 1.00 0.00 C ATOM 1219 C ASN A 77 2.982 -3.171 8.907 1.00 0.00 C ATOM 1220 O ASN A 77 2.569 -4.284 9.171 1.00 0.00 O ATOM 1221 CB ASN A 77 1.525 -2.084 10.727 1.00 0.00 C ATOM 1222 CG ASN A 77 1.893 -3.416 11.397 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.260 -4.424 11.155 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.892 -3.461 12.237 1.00 0.00 N ATOM 0 H ASN A 77 1.521 -0.697 7.765 1.00 0.00 H new ATOM 0 HA ASN A 77 2.996 -1.117 9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.785 -1.260 11.392 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.447 -2.041 10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.139 -4.342 12.688 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.425 -2.616 12.442 1.00 0.00 H new ATOM 1231 N VAL A 78 4.087 -3.008 8.223 1.00 0.00 N ATOM 1232 CA VAL A 78 4.867 -4.195 7.768 1.00 0.00 C ATOM 1233 C VAL A 78 6.079 -4.316 8.693 1.00 0.00 C ATOM 1234 O VAL A 78 7.179 -4.629 8.283 1.00 0.00 O ATOM 1235 CB VAL A 78 5.323 -4.011 6.311 1.00 0.00 C ATOM 1236 CG1 VAL A 78 6.016 -2.655 6.165 1.00 0.00 C ATOM 1237 CG2 VAL A 78 6.306 -5.126 5.937 1.00 0.00 C ATOM 0 H VAL A 78 4.481 -2.104 7.961 1.00 0.00 H new ATOM 0 HA VAL A 78 4.257 -5.097 7.809 1.00 0.00 H new ATOM 0 HB VAL A 78 4.457 -4.054 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.341 -2.521 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.320 -1.860 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.882 -2.616 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.629 -4.995 4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.173 -5.083 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.816 -6.094 6.044 1.00 0.00 H new ATOM 1247 N ILE A 79 5.860 -4.044 9.949 1.00 0.00 N ATOM 1248 CA ILE A 79 6.955 -4.105 10.963 1.00 0.00 C ATOM 1249 C ILE A 79 6.326 -4.523 12.306 1.00 0.00 C ATOM 1250 O ILE A 79 5.150 -4.823 12.352 1.00 0.00 O ATOM 1251 CB ILE A 79 7.617 -2.717 11.089 1.00 0.00 C ATOM 1252 CG1 ILE A 79 7.201 -1.820 9.915 1.00 0.00 C ATOM 1253 CG2 ILE A 79 9.143 -2.867 11.071 1.00 0.00 C ATOM 1254 CD1 ILE A 79 8.005 -0.517 9.954 1.00 0.00 C ATOM 0 H ILE A 79 4.950 -3.776 10.325 1.00 0.00 H new ATOM 0 HA ILE A 79 7.720 -4.824 10.668 1.00 0.00 H new ATOM 0 HB ILE A 79 7.294 -2.266 12.027 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.372 -2.337 8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.134 -1.603 9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.606 -1.884 11.160 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.457 -3.493 11.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.452 -3.330 10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.708 0.119 9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.811 0.002 10.893 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.069 -0.743 9.877 1.00 0.00 H new ATOM 1266 N PRO A 80 7.110 -4.541 13.358 1.00 0.00 N ATOM 1267 CA PRO A 80 6.500 -4.952 14.643 1.00 0.00 C ATOM 1268 C PRO A 80 5.414 -3.953 15.058 1.00 0.00 C ATOM 1269 O PRO A 80 4.237 -4.195 14.880 1.00 0.00 O ATOM 1270 CB PRO A 80 7.654 -4.953 15.644 1.00 0.00 C ATOM 1271 CG PRO A 80 8.728 -4.020 15.062 1.00 0.00 C ATOM 1272 CD PRO A 80 8.427 -3.884 13.563 1.00 0.00 C ATOM 0 HA PRO A 80 6.018 -5.928 14.582 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.322 -4.602 16.621 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.047 -5.960 15.784 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.702 -3.047 15.552 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.725 -4.431 15.221 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.393 -2.836 13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.201 -4.362 12.963 1.00 0.00 H new ATOM 1280 N GLU A 81 5.796 -2.829 15.602 1.00 0.00 N ATOM 1281 CA GLU A 81 4.777 -1.824 16.018 1.00 0.00 C ATOM 1282 C GLU A 81 5.470 -0.611 16.643 1.00 0.00 C ATOM 1283 O GLU A 81 5.966 -0.669 17.751 1.00 0.00 O ATOM 1284 CB GLU A 81 3.827 -2.450 17.042 1.00 0.00 C ATOM 1285 CG GLU A 81 2.705 -1.462 17.362 1.00 0.00 C ATOM 1286 CD GLU A 81 1.845 -2.017 18.500 1.00 0.00 C ATOM 1287 OE1 GLU A 81 2.295 -1.971 19.633 1.00 0.00 O ATOM 1288 OE2 GLU A 81 0.753 -2.480 18.217 1.00 0.00 O ATOM 0 H GLU A 81 6.766 -2.564 15.776 1.00 0.00 H new ATOM 0 HA GLU A 81 4.211 -1.505 15.143 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.410 -3.377 16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.371 -2.706 17.951 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.126 -0.498 17.647 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.091 -1.293 16.477 1.00 0.00 H new ATOM 1295 N GLY A 82 5.505 0.490 15.942 1.00 0.00 N ATOM 1296 CA GLY A 82 6.162 1.709 16.497 1.00 0.00 C ATOM 1297 C GLY A 82 7.670 1.480 16.602 1.00 0.00 C ATOM 1298 O GLY A 82 8.279 1.749 17.618 1.00 0.00 O ATOM 0 H GLY A 82 5.107 0.598 15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.959 2.567 15.856 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.750 1.940 17.479 1.00 0.00 H new ATOM 1302 N GLY A 83 8.281 0.986 15.558 1.00 0.00 N ATOM 1303 CA GLY A 83 9.750 0.742 15.604 1.00 0.00 C ATOM 1304 C GLY A 83 10.405 1.265 14.325 1.00 0.00 C ATOM 1305 O GLY A 83 10.952 2.348 14.295 1.00 0.00 O ATOM 0 H GLY A 83 7.827 0.742 14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.183 1.237 16.473 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.947 -0.324 15.714 1.00 0.00 H new ATOM 1309 N SER A 84 10.360 0.500 13.268 1.00 0.00 N ATOM 1310 CA SER A 84 10.988 0.954 11.995 1.00 0.00 C ATOM 1311 C SER A 84 10.063 1.944 11.287 1.00 0.00 C ATOM 1312 O SER A 84 10.328 2.372 10.182 1.00 0.00 O ATOM 1313 CB SER A 84 11.236 -0.246 11.086 1.00 0.00 C ATOM 1314 OG SER A 84 11.089 0.158 9.730 1.00 0.00 O ATOM 0 H SER A 84 9.916 -0.418 13.231 1.00 0.00 H new ATOM 0 HA SER A 84 11.937 1.441 12.220 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.237 -0.644 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.532 -1.045 11.318 1.00 0.00 H new ATOM 0 HG SER A 84 11.351 1.098 9.638 1.00 0.00 H new ATOM 1320 N GLN A 85 8.976 2.310 11.910 1.00 0.00 N ATOM 1321 CA GLN A 85 8.039 3.269 11.262 1.00 0.00 C ATOM 1322 C GLN A 85 7.340 2.574 10.089 1.00 0.00 C ATOM 1323 O GLN A 85 7.787 2.647 8.962 1.00 0.00 O ATOM 1324 CB GLN A 85 8.826 4.481 10.764 1.00 0.00 C ATOM 1325 CG GLN A 85 9.828 4.908 11.840 1.00 0.00 C ATOM 1326 CD GLN A 85 10.489 6.225 11.429 1.00 0.00 C ATOM 1327 OE1 GLN A 85 10.027 6.896 10.528 1.00 0.00 O ATOM 1328 NE2 GLN A 85 11.561 6.625 12.057 1.00 0.00 N ATOM 0 H GLN A 85 8.698 1.987 12.837 1.00 0.00 H new ATOM 0 HA GLN A 85 7.288 3.602 11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.349 4.235 9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.146 5.302 10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.321 5.027 12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.585 4.135 11.974 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.949 6.062 12.814 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.011 7.501 11.791 1.00 0.00 H new ATOM 1337 N PRO A 86 6.266 1.910 10.413 1.00 0.00 N ATOM 1338 CA PRO A 86 5.496 1.176 9.381 1.00 0.00 C ATOM 1339 C PRO A 86 5.006 2.104 8.265 1.00 0.00 C ATOM 1340 O PRO A 86 5.335 3.272 8.217 1.00 0.00 O ATOM 1341 CB PRO A 86 4.307 0.599 10.144 1.00 0.00 C ATOM 1342 CG PRO A 86 4.133 1.462 11.406 1.00 0.00 C ATOM 1343 CD PRO A 86 5.476 2.170 11.639 1.00 0.00 C ATOM 0 HA PRO A 86 6.105 0.417 8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.406 0.622 9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.486 -0.443 10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.330 2.187 11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.866 0.845 12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.336 3.239 11.798 1.00 0.00 H new ATOM 0 HD3 PRO A 86 5.980 1.779 12.523 1.00 0.00 H new ATOM 1351 N LEU A 87 4.207 1.578 7.371 1.00 0.00 N ATOM 1352 CA LEU A 87 3.671 2.411 6.254 1.00 0.00 C ATOM 1353 C LEU A 87 2.296 2.938 6.650 1.00 0.00 C ATOM 1354 O LEU A 87 1.583 2.324 7.419 1.00 0.00 O ATOM 1355 CB LEU A 87 3.519 1.579 4.966 1.00 0.00 C ATOM 1356 CG LEU A 87 4.045 0.156 5.171 1.00 0.00 C ATOM 1357 CD1 LEU A 87 2.948 -0.705 5.799 1.00 0.00 C ATOM 1358 CD2 LEU A 87 4.440 -0.437 3.816 1.00 0.00 C ATOM 0 H LEU A 87 3.903 0.605 7.368 1.00 0.00 H new ATOM 0 HA LEU A 87 4.368 3.228 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.470 1.545 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.063 2.058 4.152 1.00 0.00 H new ATOM 0 HG LEU A 87 4.914 0.178 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.320 -1.719 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.659 -0.282 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.081 -0.729 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.815 -1.451 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.569 -0.461 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.218 0.178 3.363 1.00 0.00 H new ATOM 1370 N SER A 88 1.905 4.057 6.117 1.00 0.00 N ATOM 1371 CA SER A 88 0.563 4.599 6.451 1.00 0.00 C ATOM 1372 C SER A 88 -0.390 4.243 5.313 1.00 0.00 C ATOM 1373 O SER A 88 -0.388 4.872 4.271 1.00 0.00 O ATOM 1374 CB SER A 88 0.639 6.118 6.607 1.00 0.00 C ATOM 1375 OG SER A 88 0.688 6.447 7.988 1.00 0.00 O ATOM 0 H SER A 88 2.454 4.619 5.466 1.00 0.00 H new ATOM 0 HA SER A 88 0.208 4.172 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.523 6.503 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.227 6.587 6.140 1.00 0.00 H new ATOM 0 HG SER A 88 0.739 7.420 8.091 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.185 3.220 5.498 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.125 2.793 4.420 1.00 0.00 C ATOM 1383 C VAL A 89 -3.347 3.711 4.373 1.00 0.00 C ATOM 1384 O VAL A 89 -3.519 4.566 5.216 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.582 1.357 4.682 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.497 0.384 4.224 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -2.836 1.166 6.179 1.00 0.00 C ATOM 0 H VAL A 89 -1.223 2.662 6.351 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.606 2.851 3.463 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.501 1.164 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.823 -0.639 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.315 0.518 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.577 0.578 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.162 0.143 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.917 1.361 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.611 1.859 6.508 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.175 3.519 3.366 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.416 4.338 3.155 1.00 0.00 C ATOM 1399 C ARG A 90 -5.384 4.872 1.721 1.00 0.00 C ATOM 1400 O ARG A 90 -4.348 5.274 1.226 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.493 5.516 4.131 1.00 0.00 C ATOM 1402 CG ARG A 90 -6.764 6.321 3.860 1.00 0.00 C ATOM 1403 CD ARG A 90 -6.575 7.756 4.351 1.00 0.00 C ATOM 1404 NE ARG A 90 -7.880 8.291 4.832 1.00 0.00 N ATOM 1405 CZ ARG A 90 -8.020 9.570 5.049 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -7.644 10.082 6.189 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -8.535 10.337 4.128 1.00 0.00 N ATOM 0 H ARG A 90 -4.033 2.800 2.657 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.290 3.710 3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.493 5.151 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.616 6.153 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.989 6.317 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.613 5.861 4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.840 7.783 5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.189 8.380 3.545 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.663 7.658 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.241 9.482 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.753 11.082 6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.829 9.937 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.644 11.337 4.299 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.494 4.864 1.038 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.492 5.361 -0.369 1.00 0.00 C ATOM 1423 C LEU A 91 -6.169 6.855 -0.395 1.00 0.00 C ATOM 1424 O LEU A 91 -6.649 7.621 0.418 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.859 5.118 -1.009 1.00 0.00 C ATOM 1426 CG LEU A 91 -7.699 4.180 -2.205 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -7.735 2.729 -1.723 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -8.841 4.418 -3.197 1.00 0.00 C ATOM 0 H LEU A 91 -7.395 4.539 1.387 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.731 4.821 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.542 4.682 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.296 6.064 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.746 4.376 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.621 2.059 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.922 2.560 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.688 2.532 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.727 3.749 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.795 4.222 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.815 5.452 -3.541 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.353 7.273 -1.325 1.00 0.00 N ATOM 1441 CA ALA A 92 -4.990 8.716 -1.410 1.00 0.00 C ATOM 1442 C ALA A 92 -5.928 9.424 -2.390 1.00 0.00 C ATOM 1443 O ALA A 92 -6.804 8.818 -2.975 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.546 8.850 -1.900 1.00 0.00 C ATOM 0 H ALA A 92 -4.922 6.676 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.085 9.172 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.279 9.905 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.877 8.347 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.452 8.393 -2.885 1.00 0.00 H new ATOM 1450 N GLU A 93 -5.750 10.703 -2.573 1.00 0.00 N ATOM 1451 CA GLU A 93 -6.630 11.451 -3.516 1.00 0.00 C ATOM 1452 C GLU A 93 -5.814 11.893 -4.732 1.00 0.00 C ATOM 1453 O GLU A 93 -4.618 11.688 -4.795 1.00 0.00 O ATOM 1454 CB GLU A 93 -7.203 12.683 -2.811 1.00 0.00 C ATOM 1455 CG GLU A 93 -8.691 12.817 -3.145 1.00 0.00 C ATOM 1456 CD GLU A 93 -9.499 12.904 -1.850 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -9.114 13.672 -0.984 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -10.491 12.201 -1.745 1.00 0.00 O ATOM 0 H GLU A 93 -5.034 11.263 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.446 10.806 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.068 12.594 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.667 13.578 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.860 13.707 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.021 11.962 -3.735 1.00 0.00 H new ATOM 1465 N GLU A 94 -6.449 12.499 -5.698 1.00 0.00 N ATOM 1466 CA GLU A 94 -5.706 12.953 -6.908 1.00 0.00 C ATOM 1467 C GLU A 94 -5.083 11.742 -7.605 1.00 0.00 C ATOM 1468 O GLU A 94 -5.205 10.623 -7.150 1.00 0.00 O ATOM 1469 CB GLU A 94 -4.600 13.926 -6.493 1.00 0.00 C ATOM 1470 CG GLU A 94 -5.076 14.766 -5.306 1.00 0.00 C ATOM 1471 CD GLU A 94 -4.151 15.971 -5.129 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -3.903 16.652 -6.110 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -3.706 16.192 -4.015 1.00 0.00 O ATOM 0 H GLU A 94 -7.449 12.699 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.393 13.454 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.699 13.375 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.339 14.574 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.100 15.101 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.081 14.162 -4.399 1.00 0.00 H new ATOM 1480 N HIS A 95 -4.416 11.954 -8.707 1.00 0.00 N ATOM 1481 CA HIS A 95 -3.787 10.811 -9.428 1.00 0.00 C ATOM 1482 C HIS A 95 -3.088 9.897 -8.419 1.00 0.00 C ATOM 1483 O HIS A 95 -2.689 10.323 -7.353 1.00 0.00 O ATOM 1484 CB HIS A 95 -2.758 11.341 -10.431 1.00 0.00 C ATOM 1485 CG HIS A 95 -3.428 12.279 -11.397 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -4.287 11.831 -12.388 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -3.373 13.643 -11.540 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -4.710 12.907 -13.077 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -4.184 14.037 -12.600 1.00 0.00 N ATOM 0 H HIS A 95 -4.280 12.868 -9.139 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.556 10.250 -9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.956 11.858 -9.905 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.302 10.512 -10.972 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.789 14.310 -10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.392 12.862 -13.913 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.342 14.986 -12.939 1.00 0.00 H new ATOM 1497 N GLY A 96 -2.939 8.641 -8.745 1.00 0.00 N ATOM 1498 CA GLY A 96 -2.266 7.699 -7.805 1.00 0.00 C ATOM 1499 C GLY A 96 -1.939 6.396 -8.535 1.00 0.00 C ATOM 1500 O GLY A 96 -0.884 5.817 -8.353 1.00 0.00 O ATOM 0 H GLY A 96 -3.254 8.227 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.353 8.149 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.912 7.497 -6.951 1.00 0.00 H new ATOM 1504 N LYS A 97 -2.834 5.927 -9.360 1.00 0.00 N ATOM 1505 CA LYS A 97 -2.577 4.661 -10.102 1.00 0.00 C ATOM 1506 C LYS A 97 -1.666 4.949 -11.297 1.00 0.00 C ATOM 1507 O LYS A 97 -1.835 4.301 -12.315 1.00 0.00 O ATOM 1508 CB LYS A 97 -3.904 4.092 -10.609 1.00 0.00 C ATOM 1509 CG LYS A 97 -4.452 4.999 -11.712 1.00 0.00 C ATOM 1510 CD LYS A 97 -5.980 5.028 -11.648 1.00 0.00 C ATOM 1511 CE LYS A 97 -6.505 6.160 -12.534 1.00 0.00 C ATOM 1512 NZ LYS A 97 -7.995 6.159 -12.507 1.00 0.00 N ATOM 1513 OXT LYS A 97 -0.815 5.814 -11.171 1.00 0.00 O ATOM 0 H LYS A 97 -3.734 6.367 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.097 3.941 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.758 3.082 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.620 4.022 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.055 6.008 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.127 4.638 -12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.387 4.073 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.309 5.174 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.125 7.119 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.149 6.032 -13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.354 6.928 -13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.348 5.248 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.325 6.301 -11.531 1.00 0.00 H new