USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 15 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.5!) USER MOD Single : A 17 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.365 K(o=-0.36,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.316 K(o=-0.32,f=-0.91) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 81 SER OG : rot 70:sc= 0.435 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -90:sc= -1.29 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -3.706 18.284 11.072 1.00 0.00 N ATOM 145 CA LEU A 13 -3.292 17.978 9.714 1.00 0.00 C ATOM 146 C LEU A 13 -4.379 17.146 9.029 1.00 0.00 C ATOM 147 O LEU A 13 -5.152 16.459 9.696 1.00 0.00 O ATOM 148 CB LEU A 13 -1.915 17.312 9.710 1.00 0.00 C ATOM 149 CG LEU A 13 -0.713 18.256 9.780 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.387 17.679 10.673 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.197 18.592 8.379 1.00 0.00 C ATOM 0 HA LEU A 13 -3.179 18.895 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.863 16.626 10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.827 16.710 8.805 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.040 19.191 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.229 18.370 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.002 17.533 11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.718 16.722 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.657 19.264 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.108 17.675 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.988 19.076 7.806 1.00 0.00 H new ATOM 163 N PRO A 14 -4.404 17.237 7.673 1.00 0.00 N ATOM 164 CA PRO A 14 -5.383 16.502 6.891 1.00 0.00 C ATOM 165 C PRO A 14 -5.023 15.017 6.819 1.00 0.00 C ATOM 166 O PRO A 14 -3.861 14.647 6.980 1.00 0.00 O ATOM 167 CB PRO A 14 -5.389 17.179 5.530 1.00 0.00 C ATOM 168 CG PRO A 14 -4.090 17.964 5.450 1.00 0.00 C ATOM 169 CD PRO A 14 -3.505 18.041 6.850 1.00 0.00 C ATOM 0 HA PRO A 14 -6.378 16.523 7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.451 16.443 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.251 17.838 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.391 17.477 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.272 18.964 5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.488 17.650 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.459 19.071 7.204 1.00 0.00 H new ATOM 177 N ASN A 15 -6.042 14.205 6.575 1.00 0.00 N ATOM 178 CA ASN A 15 -5.847 12.768 6.479 1.00 0.00 C ATOM 179 C ASN A 15 -7.001 12.153 5.685 1.00 0.00 C ATOM 180 O ASN A 15 -8.134 12.626 5.763 1.00 0.00 O ATOM 181 CB ASN A 15 -5.829 12.121 7.865 1.00 0.00 C ATOM 182 CG ASN A 15 -5.257 13.080 8.911 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.059 13.285 9.014 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.179 13.655 9.679 1.00 0.00 N ATOM 0 H ASN A 15 -7.005 14.515 6.441 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.892 12.590 5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.841 11.830 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.232 11.210 7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.899 14.312 10.407 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.166 13.439 9.539 1.00 0.00 H new ATOM 191 N ARG A 16 -6.674 11.108 4.940 1.00 0.00 N ATOM 192 CA ARG A 16 -7.669 10.423 4.133 1.00 0.00 C ATOM 193 C ARG A 16 -7.324 8.937 4.012 1.00 0.00 C ATOM 194 O ARG A 16 -6.175 8.582 3.753 1.00 0.00 O ATOM 195 CB ARG A 16 -7.758 11.035 2.733 1.00 0.00 C ATOM 196 CG ARG A 16 -8.973 10.495 1.975 1.00 0.00 C ATOM 197 CD ARG A 16 -10.270 11.103 2.515 1.00 0.00 C ATOM 198 NE ARG A 16 -10.561 12.375 1.817 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.764 12.965 1.801 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.795 12.401 2.445 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.937 14.119 1.142 1.00 0.00 N ATOM 0 H ARG A 16 -5.733 10.719 4.878 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.633 10.536 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.826 12.120 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.848 10.811 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.875 10.722 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.010 9.409 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.095 10.405 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.180 11.279 3.587 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.798 12.831 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.664 11.523 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.711 12.850 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.153 14.549 0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.853 14.567 1.130 1.00 0.00 H new ATOM 215 N GLN A 17 -8.340 8.109 4.204 1.00 0.00 N ATOM 216 CA GLN A 17 -8.159 6.670 4.120 1.00 0.00 C ATOM 217 C GLN A 17 -9.150 6.068 3.122 1.00 0.00 C ATOM 218 O GLN A 17 -10.230 6.616 2.907 1.00 0.00 O ATOM 219 CB GLN A 17 -8.303 6.018 5.497 1.00 0.00 C ATOM 220 CG GLN A 17 -9.628 6.408 6.153 1.00 0.00 C ATOM 221 CD GLN A 17 -10.067 5.354 7.172 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.334 4.981 8.072 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.301 4.897 6.979 1.00 0.00 N ATOM 0 H GLN A 17 -9.292 8.407 4.418 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.148 6.471 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.248 4.934 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.474 6.322 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.523 7.374 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.397 6.522 5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.861 5.253 6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.687 4.191 7.605 1.00 0.00 H new ATOM 232 N LEU A 18 -8.747 4.948 2.540 1.00 0.00 N ATOM 233 CA LEU A 18 -9.587 4.265 1.569 1.00 0.00 C ATOM 234 C LEU A 18 -9.517 2.757 1.814 1.00 0.00 C ATOM 235 O LEU A 18 -8.669 2.285 2.569 1.00 0.00 O ATOM 236 CB LEU A 18 -9.204 4.676 0.146 1.00 0.00 C ATOM 237 CG LEU A 18 -8.991 6.174 -0.085 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.910 6.418 -1.140 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.308 6.865 -0.443 1.00 0.00 C ATOM 0 H LEU A 18 -7.851 4.496 2.722 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.629 4.560 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.288 4.152 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.984 4.331 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.637 6.617 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.779 7.490 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.970 5.979 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.210 5.959 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.129 7.928 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.714 6.425 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.020 6.735 0.372 1.00 0.00 H new ATOM 251 N LYS A 19 -10.420 2.041 1.159 1.00 0.00 N ATOM 252 CA LYS A 19 -10.472 0.596 1.296 1.00 0.00 C ATOM 253 C LYS A 19 -10.175 -0.051 -0.059 1.00 0.00 C ATOM 254 O LYS A 19 -11.050 -0.130 -0.919 1.00 0.00 O ATOM 255 CB LYS A 19 -11.807 0.162 1.904 1.00 0.00 C ATOM 256 CG LYS A 19 -12.958 0.395 0.923 1.00 0.00 C ATOM 257 CD LYS A 19 -13.292 -0.886 0.155 1.00 0.00 C ATOM 258 CE LYS A 19 -14.722 -1.344 0.450 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.581 -1.160 -0.741 1.00 0.00 N ATOM 0 H LYS A 19 -11.121 2.435 0.532 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.705 0.252 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.762 -0.893 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.990 0.718 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.839 0.738 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.688 1.184 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.175 -0.714 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.590 -1.673 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.720 -2.393 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.126 -0.777 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.548 -1.476 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.596 -0.154 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.203 -1.721 -1.531 1.00 0.00 H new ATOM 273 N VAL A 20 -8.936 -0.498 -0.206 1.00 0.00 N ATOM 274 CA VAL A 20 -8.512 -1.136 -1.441 1.00 0.00 C ATOM 275 C VAL A 20 -8.960 -2.598 -1.434 1.00 0.00 C ATOM 276 O VAL A 20 -8.319 -3.445 -0.815 1.00 0.00 O ATOM 277 CB VAL A 20 -7.001 -0.974 -1.621 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.482 -1.882 -2.738 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.634 0.487 -1.887 1.00 0.00 C ATOM 0 H VAL A 20 -8.212 -0.431 0.510 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.981 -0.657 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.518 -1.276 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.406 -1.748 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.695 -2.922 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.975 -1.624 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.555 0.574 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.132 0.828 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.953 1.101 -1.045 1.00 0.00 H new ATOM 289 N LYS A 21 -10.059 -2.851 -2.131 1.00 0.00 N ATOM 290 CA LYS A 21 -10.600 -4.196 -2.214 1.00 0.00 C ATOM 291 C LYS A 21 -9.550 -5.127 -2.824 1.00 0.00 C ATOM 292 O LYS A 21 -9.249 -5.034 -4.013 1.00 0.00 O ATOM 293 CB LYS A 21 -11.932 -4.193 -2.967 1.00 0.00 C ATOM 294 CG LYS A 21 -11.707 -4.278 -4.479 1.00 0.00 C ATOM 295 CD LYS A 21 -12.982 -3.920 -5.244 1.00 0.00 C ATOM 296 CE LYS A 21 -13.016 -2.429 -5.586 1.00 0.00 C ATOM 297 NZ LYS A 21 -14.379 -2.021 -5.991 1.00 0.00 N ATOM 0 H LYS A 21 -10.589 -2.146 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.825 -4.578 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.542 -5.035 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.487 -3.285 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.903 -3.602 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.389 -5.286 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.038 -4.508 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.855 -4.179 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.696 -1.845 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.313 -2.219 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.384 -1.006 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.670 -2.566 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.042 -2.203 -5.211 1.00 0.00 H new ATOM 311 N VAL A 22 -9.023 -6.004 -1.983 1.00 0.00 N ATOM 312 CA VAL A 22 -8.013 -6.951 -2.425 1.00 0.00 C ATOM 313 C VAL A 22 -8.597 -8.365 -2.392 1.00 0.00 C ATOM 314 O VAL A 22 -9.815 -8.538 -2.411 1.00 0.00 O ATOM 315 CB VAL A 22 -6.751 -6.806 -1.573 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.332 -5.338 -1.458 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.948 -7.430 -0.190 1.00 0.00 C ATOM 0 H VAL A 22 -9.276 -6.079 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.720 -6.744 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.946 -7.346 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.432 -5.263 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.130 -4.938 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.135 -4.766 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.036 -7.313 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.773 -6.932 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.176 -8.490 -0.298 1.00 0.00 H new ATOM 643 N GLN A 44 6.957 0.292 -0.468 1.00 0.00 N ATOM 644 CA GLN A 44 7.506 1.314 0.407 1.00 0.00 C ATOM 645 C GLN A 44 8.335 2.315 -0.401 1.00 0.00 C ATOM 646 O GLN A 44 8.364 3.503 -0.082 1.00 0.00 O ATOM 647 CB GLN A 44 8.340 0.688 1.526 1.00 0.00 C ATOM 648 CG GLN A 44 9.334 -0.331 0.965 1.00 0.00 C ATOM 649 CD GLN A 44 10.749 -0.059 1.479 1.00 0.00 C ATOM 650 OE1 GLN A 44 11.116 -0.423 2.584 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.519 0.600 0.618 1.00 0.00 N ATOM 0 HA GLN A 44 6.678 1.849 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.878 1.469 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.682 0.201 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.027 -1.338 1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.325 -0.291 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.148 0.875 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.481 0.831 0.867 1.00 0.00 H new ATOM 660 N GLU A 45 8.989 1.798 -1.431 1.00 0.00 N ATOM 661 CA GLU A 45 9.816 2.632 -2.286 1.00 0.00 C ATOM 662 C GLU A 45 8.939 3.528 -3.163 1.00 0.00 C ATOM 663 O GLU A 45 9.104 4.747 -3.171 1.00 0.00 O ATOM 664 CB GLU A 45 10.754 1.778 -3.142 1.00 0.00 C ATOM 665 CG GLU A 45 11.654 2.657 -4.012 1.00 0.00 C ATOM 666 CD GLU A 45 11.244 2.574 -5.484 1.00 0.00 C ATOM 667 OE1 GLU A 45 11.331 1.456 -6.035 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.852 3.631 -6.025 1.00 0.00 O ATOM 0 H GLU A 45 8.963 0.812 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 45 10.433 3.269 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.368 1.148 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.168 1.112 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.596 3.691 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.692 2.343 -3.902 1.00 0.00 H new ATOM 675 N ALA A 46 8.025 2.890 -3.879 1.00 0.00 N ATOM 676 CA ALA A 46 7.121 3.614 -4.757 1.00 0.00 C ATOM 677 C ALA A 46 6.532 4.807 -4.002 1.00 0.00 C ATOM 678 O ALA A 46 6.809 5.957 -4.338 1.00 0.00 O ATOM 679 CB ALA A 46 6.042 2.662 -5.277 1.00 0.00 C ATOM 0 H ALA A 46 7.891 1.879 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 46 7.656 4.003 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.364 3.205 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.511 1.848 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.481 2.253 -4.436 1.00 0.00 H new ATOM 685 N ILE A 47 5.729 4.492 -2.996 1.00 0.00 N ATOM 686 CA ILE A 47 5.098 5.524 -2.191 1.00 0.00 C ATOM 687 C ILE A 47 6.170 6.479 -1.662 1.00 0.00 C ATOM 688 O ILE A 47 5.998 7.696 -1.707 1.00 0.00 O ATOM 689 CB ILE A 47 4.238 4.896 -1.092 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.103 4.064 -1.693 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.718 5.962 -0.126 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.815 2.830 -0.835 1.00 0.00 C ATOM 0 H ILE A 47 5.501 3.537 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 47 4.414 6.116 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 47 4.864 4.217 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.203 4.674 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.370 3.755 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.110 5.489 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.561 6.473 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.112 6.685 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.004 2.256 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.710 2.210 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.525 3.144 0.168 1.00 0.00 H new ATOM 704 N ASN A 48 7.252 5.891 -1.173 1.00 0.00 N ATOM 705 CA ASN A 48 8.351 6.675 -0.636 1.00 0.00 C ATOM 706 C ASN A 48 8.793 7.706 -1.677 1.00 0.00 C ATOM 707 O ASN A 48 8.935 8.887 -1.364 1.00 0.00 O ATOM 708 CB ASN A 48 9.554 5.786 -0.312 1.00 0.00 C ATOM 709 CG ASN A 48 10.847 6.604 -0.279 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.892 7.723 0.204 1.00 0.00 O ATOM 711 ND2 ASN A 48 11.892 5.984 -0.818 1.00 0.00 N ATOM 0 H ASN A 48 7.391 4.881 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 48 8.005 7.161 0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.402 5.300 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.638 4.996 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.801 6.446 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.785 5.046 -1.205 1.00 0.00 H new ATOM 718 N ASP A 49 8.997 7.222 -2.893 1.00 0.00 N ATOM 719 CA ASP A 49 9.419 8.087 -3.982 1.00 0.00 C ATOM 720 C ASP A 49 8.403 9.219 -4.151 1.00 0.00 C ATOM 721 O ASP A 49 8.760 10.322 -4.563 1.00 0.00 O ATOM 722 CB ASP A 49 9.492 7.317 -5.301 1.00 0.00 C ATOM 723 CG ASP A 49 10.582 7.789 -6.266 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.447 8.566 -5.809 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.525 7.361 -7.439 1.00 0.00 O ATOM 0 H ASP A 49 8.878 6.242 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 49 10.407 8.478 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.655 6.262 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.527 7.392 -5.802 1.00 0.00 H new ATOM 730 N LEU A 50 7.158 8.907 -3.824 1.00 0.00 N ATOM 731 CA LEU A 50 6.088 9.884 -3.935 1.00 0.00 C ATOM 732 C LEU A 50 6.116 10.806 -2.714 1.00 0.00 C ATOM 733 O LEU A 50 6.140 12.028 -2.855 1.00 0.00 O ATOM 734 CB LEU A 50 4.744 9.185 -4.147 1.00 0.00 C ATOM 735 CG LEU A 50 4.292 9.026 -5.601 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.500 7.731 -5.790 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.506 10.253 -6.068 1.00 0.00 C ATOM 0 H LEU A 50 6.866 7.991 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 50 6.236 10.513 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.796 8.195 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.978 9.743 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 50 5.180 8.955 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.191 7.642 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.126 6.879 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.618 7.747 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.197 10.114 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.624 10.381 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.136 11.139 -5.993 1.00 0.00 H new ATOM 749 N VAL A 51 6.113 10.185 -1.544 1.00 0.00 N ATOM 750 CA VAL A 51 6.137 10.934 -0.299 1.00 0.00 C ATOM 751 C VAL A 51 7.293 11.936 -0.335 1.00 0.00 C ATOM 752 O VAL A 51 7.253 12.959 0.347 1.00 0.00 O ATOM 753 CB VAL A 51 6.217 9.973 0.889 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.424 10.736 2.198 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.972 9.087 0.961 1.00 0.00 C ATOM 0 H VAL A 51 6.094 9.171 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 51 5.215 11.503 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 51 7.081 9.325 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.477 10.030 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.353 11.304 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.590 11.419 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.054 8.413 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.087 9.712 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.887 8.503 0.044 1.00 0.00 H new ATOM 765 N LYS A 52 8.294 11.608 -1.138 1.00 0.00 N ATOM 766 CA LYS A 52 9.459 12.466 -1.271 1.00 0.00 C ATOM 767 C LYS A 52 9.186 13.525 -2.342 1.00 0.00 C ATOM 768 O LYS A 52 9.659 14.656 -2.237 1.00 0.00 O ATOM 769 CB LYS A 52 10.713 11.631 -1.538 1.00 0.00 C ATOM 770 CG LYS A 52 11.369 11.194 -0.226 1.00 0.00 C ATOM 771 CD LYS A 52 12.758 11.817 -0.074 1.00 0.00 C ATOM 772 CE LYS A 52 12.954 12.382 1.335 1.00 0.00 C ATOM 773 NZ LYS A 52 14.386 12.365 1.705 1.00 0.00 N ATOM 0 H LYS A 52 8.323 10.760 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 52 9.650 12.996 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.451 10.753 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.422 12.211 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.741 11.488 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.449 10.107 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.522 11.066 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.887 12.611 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.573 13.402 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.380 11.795 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.501 12.752 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.739 11.387 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.926 12.944 1.031 1.00 0.00 H new ATOM 787 N LYS A 53 8.425 13.120 -3.348 1.00 0.00 N ATOM 788 CA LYS A 53 8.084 14.020 -4.437 1.00 0.00 C ATOM 789 C LYS A 53 7.101 15.078 -3.931 1.00 0.00 C ATOM 790 O LYS A 53 7.063 16.193 -4.448 1.00 0.00 O ATOM 791 CB LYS A 53 7.570 13.230 -5.643 1.00 0.00 C ATOM 792 CG LYS A 53 8.730 12.728 -6.505 1.00 0.00 C ATOM 793 CD LYS A 53 8.535 13.122 -7.970 1.00 0.00 C ATOM 794 CE LYS A 53 7.214 12.577 -8.514 1.00 0.00 C ATOM 795 NZ LYS A 53 6.702 13.444 -9.599 1.00 0.00 N ATOM 0 H LYS A 53 8.035 12.181 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 53 8.971 14.550 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.974 12.384 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.913 13.861 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.668 13.142 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.806 11.644 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.550 14.208 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.363 12.739 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.359 11.564 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.480 12.518 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.805 13.059 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.545 14.404 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.396 13.479 -10.372 1.00 0.00 H new ATOM 809 N TYR A 54 6.331 14.690 -2.925 1.00 0.00 N ATOM 810 CA TYR A 54 5.351 15.591 -2.342 1.00 0.00 C ATOM 811 C TYR A 54 5.963 16.400 -1.197 1.00 0.00 C ATOM 812 O TYR A 54 7.085 16.129 -0.771 1.00 0.00 O ATOM 813 CB TYR A 54 4.238 14.701 -1.785 1.00 0.00 C ATOM 814 CG TYR A 54 3.241 14.217 -2.840 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.698 13.642 -4.008 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.886 14.357 -2.623 1.00 0.00 C ATOM 817 CE1 TYR A 54 2.760 13.186 -5.001 1.00 0.00 C ATOM 818 CE2 TYR A 54 0.947 13.902 -3.616 1.00 0.00 C ATOM 819 CZ TYR A 54 1.431 13.339 -4.756 1.00 0.00 C ATOM 820 OH TYR A 54 0.545 12.908 -5.694 1.00 0.00 O ATOM 0 H TYR A 54 6.366 13.764 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 54 4.987 16.297 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.688 13.834 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.698 15.252 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.759 13.534 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.529 14.808 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.104 12.733 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.117 14.005 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.285 12.627 -5.255 1.00 0.00 H new ATOM 830 N THR A 55 5.198 17.376 -0.730 1.00 0.00 N ATOM 831 CA THR A 55 5.651 18.226 0.358 1.00 0.00 C ATOM 832 C THR A 55 5.056 17.755 1.686 1.00 0.00 C ATOM 833 O THR A 55 3.837 17.685 1.835 1.00 0.00 O ATOM 834 CB THR A 55 5.291 19.672 0.010 1.00 0.00 C ATOM 835 OG1 THR A 55 6.489 20.203 -0.549 1.00 0.00 O ATOM 836 CG2 THR A 55 5.047 20.530 1.253 1.00 0.00 C ATOM 0 H THR A 55 4.268 17.597 -1.085 1.00 0.00 H new ATOM 0 HA THR A 55 6.732 18.166 0.483 1.00 0.00 H new ATOM 0 HB THR A 55 4.401 19.683 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.344 21.138 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.795 21.546 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.224 20.109 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.948 20.547 1.866 1.00 0.00 H new ATOM 844 N LEU A 56 5.944 17.443 2.619 1.00 0.00 N ATOM 845 CA LEU A 56 5.522 16.980 3.930 1.00 0.00 C ATOM 846 C LEU A 56 4.365 15.992 3.768 1.00 0.00 C ATOM 847 O LEU A 56 3.323 16.142 4.405 1.00 0.00 O ATOM 848 CB LEU A 56 5.195 18.167 4.837 1.00 0.00 C ATOM 849 CG LEU A 56 6.387 19.013 5.291 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.589 18.129 5.631 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.734 20.076 4.247 1.00 0.00 C ATOM 0 H LEU A 56 6.954 17.502 2.493 1.00 0.00 H new ATOM 0 HA LEU A 56 6.332 16.445 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.493 18.816 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.683 17.792 5.723 1.00 0.00 H new ATOM 0 HG LEU A 56 6.105 19.538 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.422 18.755 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.321 17.444 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.881 17.558 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.584 20.663 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.989 19.591 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.877 20.732 4.097 1.00 0.00 H new ATOM 863 N ALA A 57 4.587 15.004 2.914 1.00 0.00 N ATOM 864 CA ALA A 57 3.576 13.991 2.661 1.00 0.00 C ATOM 865 C ALA A 57 3.867 12.760 3.522 1.00 0.00 C ATOM 866 O ALA A 57 4.952 12.635 4.087 1.00 0.00 O ATOM 867 CB ALA A 57 3.544 13.663 1.167 1.00 0.00 C ATOM 0 H ALA A 57 5.453 14.883 2.388 1.00 0.00 H new ATOM 0 HA ALA A 57 2.587 14.359 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.786 12.903 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.304 14.564 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.519 13.288 0.856 1.00 0.00 H new ATOM 873 N ARG A 58 2.877 11.882 3.596 1.00 0.00 N ATOM 874 CA ARG A 58 3.013 10.666 4.379 1.00 0.00 C ATOM 875 C ARG A 58 1.917 9.667 4.002 1.00 0.00 C ATOM 876 O ARG A 58 0.732 9.995 4.046 1.00 0.00 O ATOM 877 CB ARG A 58 2.929 10.963 5.878 1.00 0.00 C ATOM 878 CG ARG A 58 4.280 10.733 6.558 1.00 0.00 C ATOM 879 CD ARG A 58 4.120 10.633 8.076 1.00 0.00 C ATOM 880 NE ARG A 58 4.740 11.807 8.730 1.00 0.00 N ATOM 881 CZ ARG A 58 6.032 12.140 8.607 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.848 11.390 7.855 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.507 13.223 9.236 1.00 0.00 N ATOM 0 H ARG A 58 1.978 11.989 3.127 1.00 0.00 H new ATOM 0 HA ARG A 58 3.991 10.238 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.612 11.994 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.173 10.326 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.733 9.818 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.958 11.551 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.063 10.578 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.585 9.717 8.439 1.00 0.00 H new ATOM 0 HE ARG A 58 4.147 12.400 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.486 10.565 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.832 11.643 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.885 13.794 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.491 13.477 9.143 1.00 0.00 H new ATOM 897 N ALA A 59 2.351 8.469 3.641 1.00 0.00 N ATOM 898 CA ALA A 59 1.421 7.420 3.257 1.00 0.00 C ATOM 899 C ALA A 59 1.825 6.111 3.938 1.00 0.00 C ATOM 900 O ALA A 59 3.008 5.867 4.170 1.00 0.00 O ATOM 901 CB ALA A 59 1.391 7.298 1.732 1.00 0.00 C ATOM 0 H ALA A 59 3.334 8.201 3.606 1.00 0.00 H new ATOM 0 HA ALA A 59 0.411 7.664 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.694 6.511 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.070 8.245 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.388 7.051 1.367 1.00 0.00 H new ATOM 907 N PHE A 60 0.819 5.304 4.241 1.00 0.00 N ATOM 908 CA PHE A 60 1.055 4.026 4.892 1.00 0.00 C ATOM 909 C PHE A 60 -0.103 3.059 4.636 1.00 0.00 C ATOM 910 O PHE A 60 -1.151 3.459 4.132 1.00 0.00 O ATOM 911 CB PHE A 60 1.152 4.301 6.394 1.00 0.00 C ATOM 912 CG PHE A 60 2.297 5.239 6.782 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.585 4.877 6.539 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.026 6.435 7.370 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.647 5.747 6.899 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.088 7.305 7.731 1.00 0.00 C ATOM 917 CZ PHE A 60 4.377 6.943 7.487 1.00 0.00 C ATOM 0 H PHE A 60 -0.161 5.510 4.048 1.00 0.00 H new ATOM 0 HA PHE A 60 1.966 3.572 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.211 4.732 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.278 3.354 6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.800 3.927 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.003 6.723 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.670 5.459 6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.873 8.254 8.199 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.185 7.605 7.760 1.00 0.00 H new ATOM 927 N VAL A 61 0.126 1.805 4.995 1.00 0.00 N ATOM 928 CA VAL A 61 -0.885 0.777 4.811 1.00 0.00 C ATOM 929 C VAL A 61 -1.136 0.070 6.144 1.00 0.00 C ATOM 930 O VAL A 61 -0.213 -0.115 6.936 1.00 0.00 O ATOM 931 CB VAL A 61 -0.460 -0.181 3.697 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.664 0.453 2.320 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.991 -0.630 3.884 1.00 0.00 C ATOM 0 H VAL A 61 0.997 1.477 5.413 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.829 1.222 4.496 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.095 -1.065 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.354 -0.250 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.717 0.699 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.066 1.362 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.268 -1.310 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.647 0.241 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.093 -1.140 4.842 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.307 -3.773 2.230 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.198 -3.261 3.018 1.00 0.00 C ATOM 1061 C VAL A 70 -7.433 -1.780 3.319 1.00 0.00 C ATOM 1062 O VAL A 70 -7.934 -1.042 2.472 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.877 -3.522 2.291 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.738 -2.716 2.920 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.547 -5.016 2.272 1.00 0.00 C ATOM 0 HA VAL A 70 -7.136 -3.780 3.974 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.991 -3.192 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.810 -2.919 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.967 -1.652 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.624 -3.002 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.603 -5.174 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.461 -5.383 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.341 -5.558 1.758 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.059 -1.389 4.529 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.223 -0.009 4.952 1.00 0.00 C ATOM 1077 C ARG A 71 -5.950 0.789 4.665 1.00 0.00 C ATOM 1078 O ARG A 71 -4.864 0.413 5.104 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.542 0.075 6.447 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.040 0.283 6.677 1.00 0.00 C ATOM 1081 CD ARG A 71 -9.395 1.771 6.662 1.00 0.00 C ATOM 1082 NE ARG A 71 -10.858 1.941 6.519 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.744 1.677 7.489 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.320 1.228 8.679 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -13.053 1.860 7.270 1.00 0.00 N ATOM 0 H ARG A 71 -6.643 -2.004 5.229 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.056 0.413 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.218 -0.840 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.984 0.897 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.606 -0.237 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.329 -0.154 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.054 2.244 7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.881 2.268 5.839 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.215 2.281 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.324 1.088 8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.994 1.027 9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.376 2.201 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.727 1.659 8.009 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.125 1.877 3.928 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.003 2.731 3.577 1.00 0.00 C ATOM 1101 C VAL A 72 -5.116 4.053 4.338 1.00 0.00 C ATOM 1102 O VAL A 72 -6.207 4.446 4.749 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.944 2.919 2.059 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.972 4.039 1.683 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.570 1.610 1.360 1.00 0.00 C ATOM 0 H VAL A 72 -7.027 2.186 3.565 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.062 2.266 3.871 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.937 3.210 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.949 4.152 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.300 4.973 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.974 3.791 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.535 1.770 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.593 1.277 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.316 0.849 1.590 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.974 4.704 4.504 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.931 5.974 5.209 1.00 0.00 C ATOM 1117 C TYR A 73 -2.836 6.879 4.642 1.00 0.00 C ATOM 1118 O TYR A 73 -1.752 6.408 4.301 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.596 5.637 6.663 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.817 6.797 7.637 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.078 7.332 7.798 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.753 7.308 8.353 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.286 8.423 8.715 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -2.961 8.399 9.270 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.217 8.903 9.405 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.412 9.934 10.270 1.00 0.00 O ATOM 0 H TYR A 73 -3.071 4.376 4.162 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.880 6.501 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.205 4.790 6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.555 5.320 6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.910 6.933 7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.765 6.890 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.269 8.850 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.138 8.808 9.838 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.561 10.172 10.693 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.156 8.162 4.559 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.213 9.137 4.040 1.00 0.00 C ATOM 1138 C ALA A 74 -2.457 10.487 4.717 1.00 0.00 C ATOM 1139 O ALA A 74 -3.594 10.829 5.037 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.347 9.216 2.518 1.00 0.00 C ATOM 0 H ALA A 74 -4.056 8.549 4.843 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.189 8.837 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.639 9.948 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.136 8.239 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.361 9.518 2.257 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.369 11.218 4.916 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.451 12.523 5.550 1.00 0.00 C ATOM 1148 C GLU A 75 -0.349 13.441 5.018 1.00 0.00 C ATOM 1149 O GLU A 75 0.832 13.106 5.090 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.373 12.399 7.073 1.00 0.00 C ATOM 1151 CG GLU A 75 0.032 11.987 7.518 1.00 0.00 C ATOM 1152 CD GLU A 75 0.807 13.187 8.066 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.729 14.255 7.421 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.460 13.008 9.117 1.00 0.00 O ATOM 0 H GLU A 75 -0.427 10.931 4.650 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.416 12.965 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.640 13.350 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.099 11.663 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.037 11.214 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.572 11.555 6.676 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.774 14.581 4.494 1.00 0.00 N ATOM 1162 CA ALA A 76 0.162 15.550 3.950 1.00 0.00 C ATOM 1163 C ALA A 76 -0.086 16.913 4.600 1.00 0.00 C ATOM 1164 O ALA A 76 -1.123 17.127 5.226 1.00 0.00 O ATOM 1165 CB ALA A 76 0.021 15.596 2.427 1.00 0.00 C ATOM 0 H ALA A 76 -1.755 14.856 4.435 1.00 0.00 H new ATOM 0 HA ALA A 76 1.189 15.260 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.723 16.323 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.236 14.611 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.996 15.887 2.164 1.00 0.00 H new ATOM 1171 N ASN A 77 0.883 17.800 4.428 1.00 0.00 N ATOM 1172 CA ASN A 77 0.783 19.136 4.990 1.00 0.00 C ATOM 1173 C ASN A 77 -0.442 19.840 4.404 1.00 0.00 C ATOM 1174 O ASN A 77 -0.970 20.776 5.004 1.00 0.00 O ATOM 1175 CB ASN A 77 2.018 19.972 4.647 1.00 0.00 C ATOM 1176 CG ASN A 77 1.787 21.449 4.968 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.257 21.810 6.007 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.212 22.282 4.022 1.00 0.00 N ATOM 0 H ASN A 77 1.741 17.619 3.907 1.00 0.00 H new ATOM 0 HA ASN A 77 0.701 19.041 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.877 19.604 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.256 19.859 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.103 23.289 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.647 21.914 3.176 1.00 0.00 H new ATOM 1185 N SER A 78 -0.858 19.365 3.240 1.00 0.00 N ATOM 1186 CA SER A 78 -2.011 19.937 2.566 1.00 0.00 C ATOM 1187 C SER A 78 -2.993 18.830 2.178 1.00 0.00 C ATOM 1188 O SER A 78 -2.585 17.773 1.701 1.00 0.00 O ATOM 1189 CB SER A 78 -1.588 20.730 1.328 1.00 0.00 C ATOM 1190 OG SER A 78 -0.228 21.149 1.401 1.00 0.00 O ATOM 0 H SER A 78 -0.417 18.590 2.746 1.00 0.00 H new ATOM 0 HA SER A 78 -2.503 20.625 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.731 20.117 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.231 21.603 1.220 1.00 0.00 H new ATOM 0 HG SER A 78 0.004 21.650 0.591 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.269 19.112 2.398 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.313 18.153 2.078 1.00 0.00 C ATOM 1198 C GLN A 79 -5.280 17.811 0.587 1.00 0.00 C ATOM 1199 O GLN A 79 -5.600 16.690 0.196 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.689 18.682 2.489 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.754 17.591 2.368 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.156 18.168 2.578 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.338 19.346 2.837 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.133 17.274 2.451 1.00 0.00 N ATOM 0 H GLN A 79 -4.603 19.991 2.794 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.127 17.241 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.651 19.046 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.959 19.530 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.692 17.125 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.564 16.809 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.910 16.303 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.105 17.560 2.572 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.890 18.799 -0.206 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.810 18.617 -1.645 1.00 0.00 C ATOM 1215 C GLU A 80 -3.879 17.451 -1.982 1.00 0.00 C ATOM 1216 O GLU A 80 -4.081 16.758 -2.978 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.352 19.903 -2.336 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.361 20.344 -3.398 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.879 19.969 -4.801 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.936 18.761 -5.117 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.464 20.899 -5.526 1.00 0.00 O ATOM 0 H GLU A 80 -4.626 19.728 0.122 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.806 18.379 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.229 20.694 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.378 19.744 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.326 19.876 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.511 21.422 -3.337 1.00 0.00 H new ATOM 1228 N SER A 81 -2.878 17.271 -1.133 1.00 0.00 N ATOM 1229 CA SER A 81 -1.914 16.201 -1.329 1.00 0.00 C ATOM 1230 C SER A 81 -2.408 14.921 -0.650 1.00 0.00 C ATOM 1231 O SER A 81 -2.309 13.835 -1.219 1.00 0.00 O ATOM 1232 CB SER A 81 -0.538 16.592 -0.785 1.00 0.00 C ATOM 1233 OG SER A 81 -0.506 17.945 -0.339 1.00 0.00 O ATOM 0 H SER A 81 -2.713 17.848 -0.308 1.00 0.00 H new ATOM 0 HA SER A 81 -1.814 16.023 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.273 15.932 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.213 16.448 -1.562 1.00 0.00 H new ATOM 0 HG SER A 81 -1.048 18.035 0.473 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.929 15.092 0.556 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.438 13.965 1.318 1.00 0.00 C ATOM 1241 C ALA A 82 -4.315 13.098 0.413 1.00 0.00 C ATOM 1242 O ALA A 82 -3.958 11.964 0.098 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.195 14.478 2.545 1.00 0.00 C ATOM 0 H ALA A 82 -3.010 15.995 1.024 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.618 13.343 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.577 13.632 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.521 15.064 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.027 15.104 2.224 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.446 13.664 0.020 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.377 12.957 -0.843 1.00 0.00 C ATOM 1251 C ASP A 83 -5.606 12.306 -1.993 1.00 0.00 C ATOM 1252 O ASP A 83 -5.625 11.086 -2.146 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.406 13.915 -1.447 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.846 13.400 -1.450 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -9.005 12.160 -1.466 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.756 14.257 -1.436 1.00 0.00 O ATOM 0 H ASP A 83 -5.739 14.605 0.283 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.892 12.208 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.373 14.854 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.114 14.138 -2.473 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.945 13.149 -2.772 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.169 12.671 -3.904 1.00 0.00 C ATOM 1263 C ARG A 84 -3.330 11.458 -3.497 1.00 0.00 C ATOM 1264 O ARG A 84 -3.528 10.360 -4.015 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.244 13.766 -4.439 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.681 14.220 -5.833 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.636 13.842 -6.885 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.867 14.613 -8.127 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.189 14.421 -9.268 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.235 13.482 -9.330 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.466 15.168 -10.345 1.00 0.00 N ATOM 0 H ARG A 84 -4.931 14.161 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.869 12.386 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.249 14.617 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.220 13.395 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.638 13.763 -6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.833 15.299 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.635 14.042 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.689 12.774 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.587 15.336 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.025 12.914 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.719 13.336 -10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.192 15.882 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.951 15.022 -11.213 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.410 11.697 -2.574 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.540 10.638 -2.092 1.00 0.00 C ATOM 1287 C LEU A 85 -2.388 9.423 -1.709 1.00 0.00 C ATOM 1288 O LEU A 85 -2.144 8.316 -2.188 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.651 11.149 -0.957 1.00 0.00 C ATOM 1290 CG LEU A 85 0.630 10.354 -0.698 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.671 10.623 -1.786 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.178 10.638 0.702 1.00 0.00 C ATOM 0 H LEU A 85 -2.248 12.609 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.858 10.317 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.377 12.181 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.239 11.162 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 85 0.387 9.292 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.572 10.046 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.268 10.330 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.916 11.685 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.089 10.060 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.401 11.701 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.435 10.356 1.448 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.365 9.670 -0.850 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.250 8.610 -0.397 1.00 0.00 C ATOM 1306 C ALA A 86 -4.794 7.853 -1.611 1.00 0.00 C ATOM 1307 O ALA A 86 -4.447 6.693 -1.830 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.364 9.207 0.464 1.00 0.00 C ATOM 0 H ALA A 86 -3.564 10.589 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.707 7.896 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.027 8.412 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.927 9.708 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.932 9.927 -0.125 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.638 8.539 -2.367 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.233 7.946 -3.552 1.00 0.00 C ATOM 1316 C TYR A 87 -5.169 7.274 -4.422 1.00 0.00 C ATOM 1317 O TYR A 87 -5.318 6.115 -4.806 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.857 9.104 -4.335 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.993 8.839 -5.835 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.700 7.740 -6.281 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.409 9.698 -6.744 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.828 7.490 -7.693 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -6.537 9.448 -8.156 1.00 0.00 C ATOM 1324 CZ TYR A 87 -7.240 8.357 -8.561 1.00 0.00 C ATOM 1325 OH TYR A 87 -7.361 8.121 -9.895 1.00 0.00 O ATOM 0 H TYR A 87 -5.924 9.500 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.964 7.186 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.843 9.318 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.250 9.997 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.157 7.068 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.856 10.558 -6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.378 6.634 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.085 10.112 -8.877 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.892 8.821 -10.395 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.119 8.029 -4.707 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.030 7.520 -5.524 1.00 0.00 C ATOM 1337 C GLU A 88 -2.485 6.220 -4.931 1.00 0.00 C ATOM 1338 O GLU A 88 -2.508 5.178 -5.584 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.921 8.564 -5.671 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.400 9.760 -6.496 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.524 9.958 -7.735 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.479 10.627 -7.590 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.921 9.435 -8.799 1.00 0.00 O ATOM 0 H GLU A 88 -3.999 8.990 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.417 7.307 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.602 8.902 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.052 8.112 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.436 9.606 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.378 10.661 -5.883 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.006 6.323 -3.700 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.455 5.168 -3.012 1.00 0.00 C ATOM 1352 C VAL A 89 -2.315 3.940 -3.317 1.00 0.00 C ATOM 1353 O VAL A 89 -1.800 2.907 -3.741 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.337 5.458 -1.514 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.161 4.164 -0.717 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.194 6.435 -1.233 1.00 0.00 C ATOM 0 H VAL A 89 -1.988 7.189 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.447 4.956 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.266 5.927 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.080 4.399 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.022 3.516 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.256 3.654 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.132 6.624 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.746 6.005 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.380 7.373 -1.757 1.00 0.00 H new ATOM 1366 N SER A 90 -3.612 4.094 -3.089 1.00 0.00 N ATOM 1367 CA SER A 90 -4.548 3.010 -3.334 1.00 0.00 C ATOM 1368 C SER A 90 -4.179 2.282 -4.628 1.00 0.00 C ATOM 1369 O SER A 90 -3.799 1.112 -4.599 1.00 0.00 O ATOM 1370 CB SER A 90 -5.985 3.531 -3.409 1.00 0.00 C ATOM 1371 OG SER A 90 -6.269 4.466 -2.373 1.00 0.00 O ATOM 0 H SER A 90 -4.036 4.953 -2.738 1.00 0.00 H new ATOM 0 HA SER A 90 -4.487 2.310 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.149 4.003 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.678 2.693 -3.341 1.00 0.00 H new ATOM 0 HG SER A 90 -6.615 3.990 -1.589 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.304 3.004 -5.732 1.00 0.00 N ATOM 1378 CA LEU A 91 -3.988 2.441 -7.034 1.00 0.00 C ATOM 1379 C LEU A 91 -2.620 1.758 -6.971 1.00 0.00 C ATOM 1380 O LEU A 91 -2.474 0.614 -7.400 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.090 3.514 -8.120 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.505 3.969 -8.482 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.173 4.674 -7.300 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -5.495 4.842 -9.739 1.00 0.00 C ATOM 0 H LEU A 91 -4.620 3.974 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.715 1.675 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.521 4.386 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.609 3.136 -9.022 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.101 3.085 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.178 4.987 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.232 3.989 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.586 5.548 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.513 5.152 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.878 5.724 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.087 4.273 -10.574 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.654 2.487 -6.433 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.304 1.965 -6.308 1.00 0.00 C ATOM 1398 C LEU A 92 -0.353 0.586 -5.648 1.00 0.00 C ATOM 1399 O LEU A 92 0.383 -0.320 -6.037 1.00 0.00 O ATOM 1400 CB LEU A 92 0.592 2.966 -5.575 1.00 0.00 C ATOM 1401 CG LEU A 92 0.452 4.429 -6.001 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.746 5.202 -5.740 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.005 4.534 -7.460 1.00 0.00 C ATOM 0 H LEU A 92 -1.779 3.435 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 92 0.145 1.831 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.382 2.897 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.630 2.665 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.326 4.890 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.620 6.239 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.981 5.169 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.560 4.750 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.087 5.584 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.742 4.052 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.959 4.041 -7.581 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.229 0.469 -4.660 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.384 -0.785 -3.942 1.00 0.00 C ATOM 1417 C VAL A 93 -2.067 -1.808 -4.852 1.00 0.00 C ATOM 1418 O VAL A 93 -1.595 -2.935 -4.988 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.142 -0.548 -2.634 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -1.890 -1.685 -1.641 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.774 0.805 -2.024 1.00 0.00 C ATOM 0 H VAL A 93 -1.838 1.222 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.410 -1.192 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.208 -0.533 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.440 -1.492 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.226 -2.627 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.824 -1.746 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.327 0.948 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.704 0.832 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.028 1.601 -2.724 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.167 -1.377 -5.452 1.00 0.00 N ATOM 1432 CA PHE A 94 -3.919 -2.241 -6.346 1.00 0.00 C ATOM 1433 C PHE A 94 -3.001 -2.886 -7.387 1.00 0.00 C ATOM 1434 O PHE A 94 -3.160 -4.060 -7.717 1.00 0.00 O ATOM 1435 CB PHE A 94 -4.943 -1.360 -7.063 1.00 0.00 C ATOM 1436 CG PHE A 94 -5.737 -2.088 -8.150 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.718 -2.964 -7.805 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -5.462 -1.857 -9.462 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.454 -3.639 -8.814 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -6.199 -2.532 -10.471 1.00 0.00 C ATOM 1441 CZ PHE A 94 -7.180 -3.409 -10.126 1.00 0.00 C ATOM 0 H PHE A 94 -3.555 -0.441 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.396 -3.039 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.639 -0.957 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.426 -0.511 -7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.937 -3.146 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.683 -1.161 -9.736 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.232 -4.336 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.981 -2.349 -11.513 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.741 -3.922 -10.893 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.060 -2.090 -7.874 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.117 -2.568 -8.870 1.00 0.00 C ATOM 1453 C GLN A 95 0.106 -3.187 -8.189 1.00 0.00 C ATOM 1454 O GLN A 95 0.394 -4.368 -8.377 1.00 0.00 O ATOM 1455 CB GLN A 95 -0.704 -1.442 -9.820 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.593 -1.422 -11.065 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.784 -1.747 -12.322 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.116 -0.904 -12.897 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -0.879 -3.015 -12.714 1.00 0.00 N ATOM 0 H GLN A 95 -1.931 -1.117 -7.597 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.607 -3.339 -9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.772 -0.484 -9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.337 -1.573 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.401 -2.145 -10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.056 -0.441 -11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.456 -3.670 -12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.374 -3.332 -13.542 1.00 0.00 H new ATOM 1468 N LEU A 96 0.792 -2.362 -7.412 1.00 0.00 N ATOM 1469 CA LEU A 96 1.977 -2.813 -6.703 1.00 0.00 C ATOM 1470 C LEU A 96 1.623 -4.036 -5.854 1.00 0.00 C ATOM 1471 O LEU A 96 2.067 -5.146 -6.143 1.00 0.00 O ATOM 1472 CB LEU A 96 2.590 -1.664 -5.900 1.00 0.00 C ATOM 1473 CG LEU A 96 4.037 -1.863 -5.443 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.135 -2.981 -4.403 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.960 -2.110 -6.638 1.00 0.00 C ATOM 0 H LEU A 96 0.550 -1.383 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 96 2.747 -3.126 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.542 -0.758 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.972 -1.492 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 96 4.372 -0.945 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.174 -3.102 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.527 -2.725 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.774 -3.914 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.982 -2.248 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.635 -3.004 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.921 -1.254 -7.311 1.00 0.00 H new ATOM 1487 N ALA A 97 0.826 -3.791 -4.824 1.00 0.00 N ATOM 1488 CA ALA A 97 0.407 -4.859 -3.932 1.00 0.00 C ATOM 1489 C ALA A 97 -0.276 -5.960 -4.746 1.00 0.00 C ATOM 1490 O ALA A 97 0.331 -6.991 -5.034 1.00 0.00 O ATOM 1491 CB ALA A 97 -0.505 -4.288 -2.844 1.00 0.00 C ATOM 0 H ALA A 97 0.460 -2.869 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 97 1.269 -5.303 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.819 -5.089 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.036 -3.532 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.383 -3.836 -3.305 1.00 0.00 H new ATOM 1497 N GLY A 98 -1.528 -5.704 -5.094 1.00 0.00 N ATOM 1498 CA GLY A 98 -2.300 -6.660 -5.869 1.00 0.00 C ATOM 1499 C GLY A 98 -3.769 -6.653 -5.444 1.00 0.00 C ATOM 1500 O GLY A 98 -4.215 -7.541 -4.720 1.00 0.00 O ATOM 0 H GLY A 98 -2.027 -4.848 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.224 -6.420 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.885 -7.659 -5.738 1.00 0.00 H new ATOM 1504 N GLY A 99 -4.482 -5.639 -5.912 1.00 0.00 N ATOM 1505 CA GLY A 99 -5.893 -5.503 -5.589 1.00 0.00 C ATOM 1506 C GLY A 99 -6.767 -6.117 -6.685 1.00 0.00 C ATOM 1507 O GLY A 99 -6.298 -6.361 -7.795 1.00 0.00 O ATOM 0 H GLY A 99 -4.109 -4.904 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.101 -5.991 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.142 -4.449 -5.468 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.024 -6.348 -6.334 1.00 0.00 N ATOM 1512 CA ILE A 100 -8.968 -6.928 -7.273 1.00 0.00 C ATOM 1513 C ILE A 100 -9.975 -5.859 -7.704 1.00 0.00 C ATOM 1514 O ILE A 100 -10.272 -4.939 -6.943 1.00 0.00 O ATOM 1515 CB ILE A 100 -9.617 -8.179 -6.677 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.575 -7.812 -5.542 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.556 -9.186 -6.229 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.491 -8.988 -5.196 1.00 0.00 C ATOM 0 H ILE A 100 -8.410 -6.144 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.452 -7.262 -8.173 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.210 -8.660 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.005 -7.519 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.177 -6.951 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.044 -10.066 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.950 -9.481 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.918 -8.730 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.162 -8.701 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.077 -9.263 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.887 -9.839 -4.882 1.00 0.00 H new