USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 522 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 9 HIS :FLIP no HD1:sc= -1.99! C(o=-4.1!,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -152:sc=-0.00735 (180deg=-1.35!) USER MOD Single : A 16 HIS :FLIP no HE2:sc= 0.0791 F(o=-0.6,f=0.079) USER MOD Single : A 18 THR OG1 : rot -7:sc= 0.683 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 37 THR OG1 : rot -30:sc= 0.0576 USER MOD Single : A 41 SER OG : rot 39:sc= 0.0129 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 169:sc= 0.668 USER MOD Single : A 51 ASN : amide:sc= -0.163 K(o=-0.16,f=-1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -48:sc= 0.489 USER MOD Single : A 65 MET CE :methyl 137:sc= -3.36! (180deg=-6.61!) USER MOD Single : A 67 MET CE :methyl -164:sc= -1.35 (180deg=-2.31!) USER MOD Single : A 70 ASN : amide:sc= -0.0556 X(o=-0.056,f=-0.45) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 100 TYR OH : rot -15:sc= -0.35 USER MOD Single : A 101 THR OG1 : rot 50:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -8.124 -0.603 8.460 1.00 0.00 N ATOM 67 CA LEU A 8 -7.122 -0.502 7.413 1.00 0.00 C ATOM 68 C LEU A 8 -5.759 -0.211 8.044 1.00 0.00 C ATOM 69 O LEU A 8 -4.796 -0.940 7.812 1.00 0.00 O ATOM 70 CB LEU A 8 -7.547 0.528 6.364 1.00 0.00 C ATOM 71 CG LEU A 8 -8.899 0.283 5.692 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.189 1.352 4.636 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.975 -1.131 5.111 1.00 0.00 C ATOM 0 HA LEU A 8 -7.031 -1.448 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.571 1.510 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.781 0.566 5.590 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.676 0.362 6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.156 1.154 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.207 2.334 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.411 1.330 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.946 -1.279 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.187 -1.262 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.845 -1.860 5.911 1.00 0.00 H new ATOM 85 N HIS A 9 -5.721 0.856 8.828 1.00 0.00 N ATOM 86 CA HIS A 9 -4.492 1.252 9.494 1.00 0.00 C ATOM 87 C HIS A 9 -3.902 0.052 10.239 1.00 0.00 C ATOM 88 O HIS A 9 -2.686 -0.054 10.388 1.00 0.00 O ATOM 89 CB HIS A 9 -4.732 2.456 10.407 1.00 0.00 C ATOM 90 CG HIS A 9 -3.959 2.408 11.703 1.00 0.00 C ATOM 91 ND1 HIS A 9 -3.820 1.410 12.622 1.00 0.00 N flip ATOM 92 CD2 HIS A 9 -3.218 3.478 12.174 1.00 0.00 C flip ATOM 93 CE1 HIS A 9 -3.036 1.846 13.600 1.00 0.00 C flip ATOM 94 NE2 HIS A 9 -2.662 3.128 13.324 1.00 0.00 N flip ATOM 0 H HIS A 9 -6.522 1.459 9.017 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.760 1.572 8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.464 3.366 9.870 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.796 2.521 10.633 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.111 4.436 11.686 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.743 1.279 14.471 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.060 3.714 13.902 1.00 0.00 H new ATOM 102 N ARG A 10 -4.792 -0.821 10.687 1.00 0.00 N ATOM 103 CA ARG A 10 -4.375 -2.009 11.412 1.00 0.00 C ATOM 104 C ARG A 10 -3.582 -2.941 10.493 1.00 0.00 C ATOM 105 O ARG A 10 -2.950 -3.888 10.959 1.00 0.00 O ATOM 106 CB ARG A 10 -5.582 -2.764 11.974 1.00 0.00 C ATOM 107 CG ARG A 10 -5.259 -4.246 12.170 1.00 0.00 C ATOM 108 CD ARG A 10 -4.128 -4.432 13.183 1.00 0.00 C ATOM 109 NE ARG A 10 -4.679 -4.878 14.482 1.00 0.00 N ATOM 110 CZ ARG A 10 -4.035 -4.761 15.651 1.00 0.00 C ATOM 111 NH1 ARG A 10 -2.813 -4.213 15.691 1.00 0.00 N ATOM 112 NH2 ARG A 10 -4.613 -5.193 16.780 1.00 0.00 N ATOM 0 H ARG A 10 -5.800 -0.729 10.562 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.744 -1.687 12.241 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.880 -2.324 12.926 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.429 -2.659 11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.149 -4.773 12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.974 -4.689 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.413 -5.166 12.811 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.586 -3.495 13.311 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.607 -5.301 14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.373 -3.885 14.831 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.323 -4.124 16.581 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.543 -5.611 16.749 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.123 -5.104 17.670 1.00 0.00 H new ATOM 126 N ILE A 11 -3.642 -2.641 9.204 1.00 0.00 N ATOM 127 CA ILE A 11 -2.938 -3.440 8.216 1.00 0.00 C ATOM 128 C ILE A 11 -1.769 -2.631 7.651 1.00 0.00 C ATOM 129 O ILE A 11 -0.713 -3.185 7.351 1.00 0.00 O ATOM 130 CB ILE A 11 -3.908 -3.948 7.147 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.133 -4.606 7.786 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.201 -4.884 6.165 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.378 -4.405 6.920 1.00 0.00 C ATOM 0 H ILE A 11 -4.168 -1.855 8.821 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.515 -4.332 8.679 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.265 -3.092 6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.948 -5.672 7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.302 -4.183 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.913 -5.231 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.388 -4.349 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.797 -5.740 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.234 -4.882 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.574 -3.339 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.214 -4.850 5.939 1.00 0.00 H new ATOM 145 N VAL A 12 -1.997 -1.332 7.523 1.00 0.00 N ATOM 146 CA VAL A 12 -0.976 -0.440 7.000 1.00 0.00 C ATOM 147 C VAL A 12 0.214 -0.416 7.961 1.00 0.00 C ATOM 148 O VAL A 12 1.366 -0.432 7.528 1.00 0.00 O ATOM 149 CB VAL A 12 -1.571 0.947 6.749 1.00 0.00 C ATOM 150 CG1 VAL A 12 -2.974 0.841 6.148 1.00 0.00 C ATOM 151 CG2 VAL A 12 -1.586 1.777 8.034 1.00 0.00 C ATOM 0 H VAL A 12 -2.874 -0.876 7.773 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.610 -0.800 6.038 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.935 1.459 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.374 1.841 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.924 0.305 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.625 0.301 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.014 2.758 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.188 1.270 8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.567 1.895 8.403 1.00 0.00 H new ATOM 161 N ASP A 13 -0.104 -0.376 9.246 1.00 0.00 N ATOM 162 CA ASP A 13 0.925 -0.349 10.271 1.00 0.00 C ATOM 163 C ASP A 13 1.858 -1.547 10.083 1.00 0.00 C ATOM 164 O ASP A 13 3.078 -1.405 10.151 1.00 0.00 O ATOM 165 CB ASP A 13 0.312 -0.443 11.670 1.00 0.00 C ATOM 166 CG ASP A 13 -0.117 0.894 12.279 1.00 0.00 C ATOM 167 OD1 ASP A 13 -0.490 1.785 11.486 1.00 0.00 O ATOM 168 OD2 ASP A 13 -0.063 0.994 13.524 1.00 0.00 O ATOM 0 H ASP A 13 -1.060 -0.362 9.601 1.00 0.00 H new ATOM 0 HA ASP A 13 1.469 0.591 10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.556 -1.101 11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.035 -0.913 12.336 1.00 0.00 H new ATOM 173 N LYS A 14 1.249 -2.700 9.851 1.00 0.00 N ATOM 174 CA LYS A 14 2.010 -3.922 9.653 1.00 0.00 C ATOM 175 C LYS A 14 2.912 -3.763 8.427 1.00 0.00 C ATOM 176 O LYS A 14 4.019 -4.298 8.392 1.00 0.00 O ATOM 177 CB LYS A 14 1.074 -5.130 9.574 1.00 0.00 C ATOM 178 CG LYS A 14 1.483 -6.207 10.581 1.00 0.00 C ATOM 179 CD LYS A 14 0.260 -6.778 11.301 1.00 0.00 C ATOM 180 CE LYS A 14 0.679 -7.625 12.504 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.111 -8.876 12.557 1.00 0.00 N ATOM 0 H LYS A 14 0.237 -2.814 9.796 1.00 0.00 H new ATOM 0 HA LYS A 14 2.661 -4.107 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.049 -4.814 9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.093 -5.544 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.013 -7.008 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.174 -5.784 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.385 -5.964 11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.323 -7.386 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.741 -7.861 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.535 -7.058 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.186 -9.439 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.121 -8.645 12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.047 -9.424 11.687 1.00 0.00 H new ATOM 195 N MET A 15 2.405 -3.024 7.451 1.00 0.00 N ATOM 196 CA MET A 15 3.151 -2.787 6.227 1.00 0.00 C ATOM 197 C MET A 15 4.308 -1.816 6.469 1.00 0.00 C ATOM 198 O MET A 15 5.335 -1.888 5.795 1.00 0.00 O ATOM 199 CB MET A 15 2.215 -2.212 5.162 1.00 0.00 C ATOM 200 CG MET A 15 1.412 -3.321 4.480 1.00 0.00 C ATOM 201 SD MET A 15 -0.336 -2.986 4.624 1.00 0.00 S ATOM 202 CE MET A 15 -0.555 -1.883 3.238 1.00 0.00 C ATOM 0 H MET A 15 1.487 -2.582 7.483 1.00 0.00 H new ATOM 0 HA MET A 15 3.564 -3.736 5.886 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.534 -1.495 5.620 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.796 -1.669 4.417 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.692 -3.390 3.429 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.645 -4.283 4.936 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.386 -1.207 3.439 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.356 -1.304 3.087 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.769 -2.464 2.341 1.00 0.00 H new ATOM 212 N HIS A 16 4.103 -0.930 7.433 1.00 0.00 N ATOM 213 CA HIS A 16 5.117 0.054 7.772 1.00 0.00 C ATOM 214 C HIS A 16 6.381 -0.658 8.260 1.00 0.00 C ATOM 215 O HIS A 16 7.452 -0.056 8.319 1.00 0.00 O ATOM 216 CB HIS A 16 4.576 1.063 8.787 1.00 0.00 C ATOM 217 CG HIS A 16 3.709 2.140 8.180 1.00 0.00 C ATOM 218 ND1 HIS A 16 2.793 2.084 7.171 1.00 0.00 N flip ATOM 219 CD2 HIS A 16 3.736 3.455 8.610 1.00 0.00 C flip ATOM 220 CE1 HIS A 16 2.286 3.298 6.996 1.00 0.00 C flip ATOM 221 NE2 HIS A 16 2.870 4.150 7.887 1.00 0.00 N flip ATOM 0 H HIS A 16 3.250 -0.873 7.990 1.00 0.00 H new ATOM 0 HA HIS A 16 5.385 0.627 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.999 0.529 9.542 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.415 1.533 9.300 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.540 1.250 6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.358 3.848 9.401 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.535 3.567 6.268 1.00 0.00 H new ATOM 229 N ASP A 17 6.213 -1.928 8.596 1.00 0.00 N ATOM 230 CA ASP A 17 7.327 -2.728 9.076 1.00 0.00 C ATOM 231 C ASP A 17 8.033 -3.379 7.885 1.00 0.00 C ATOM 232 O ASP A 17 7.432 -3.564 6.828 1.00 0.00 O ATOM 233 CB ASP A 17 6.844 -3.843 10.006 1.00 0.00 C ATOM 234 CG ASP A 17 7.920 -4.434 10.920 1.00 0.00 C ATOM 235 OD1 ASP A 17 9.064 -4.569 10.435 1.00 0.00 O ATOM 236 OD2 ASP A 17 7.573 -4.737 12.082 1.00 0.00 O ATOM 0 H ASP A 17 5.323 -2.423 8.545 1.00 0.00 H new ATOM 0 HA ASP A 17 8.003 -2.070 9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.036 -3.454 10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.423 -4.645 9.399 1.00 0.00 H new ATOM 241 N THR A 18 9.298 -3.710 8.096 1.00 0.00 N ATOM 242 CA THR A 18 10.092 -4.337 7.053 1.00 0.00 C ATOM 243 C THR A 18 10.490 -5.755 7.465 1.00 0.00 C ATOM 244 O THR A 18 11.002 -6.522 6.651 1.00 0.00 O ATOM 245 CB THR A 18 11.290 -3.430 6.761 1.00 0.00 C ATOM 246 OG1 THR A 18 12.101 -4.200 5.878 1.00 0.00 O ATOM 247 CG2 THR A 18 12.176 -3.217 7.991 1.00 0.00 C ATOM 0 H THR A 18 9.793 -3.556 8.974 1.00 0.00 H new ATOM 0 HA THR A 18 9.518 -4.449 6.133 1.00 0.00 H new ATOM 0 HB THR A 18 10.935 -2.466 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.737 -5.107 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.011 -2.567 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.590 -2.754 8.786 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.558 -4.178 8.335 1.00 0.00 H new ATOM 255 N SER A 19 10.239 -6.062 8.730 1.00 0.00 N ATOM 256 CA SER A 19 10.564 -7.375 9.260 1.00 0.00 C ATOM 257 C SER A 19 9.325 -8.272 9.234 1.00 0.00 C ATOM 258 O SER A 19 9.403 -9.435 8.840 1.00 0.00 O ATOM 259 CB SER A 19 11.117 -7.273 10.683 1.00 0.00 C ATOM 260 OG SER A 19 12.457 -6.791 10.702 1.00 0.00 O ATOM 0 H SER A 19 9.814 -5.424 9.403 1.00 0.00 H new ATOM 0 HA SER A 19 11.336 -7.816 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.484 -6.608 11.271 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.078 -8.253 11.158 1.00 0.00 H new ATOM 0 HG SER A 19 12.773 -6.739 11.628 1.00 0.00 H new ATOM 266 N THR A 20 8.209 -7.697 9.659 1.00 0.00 N ATOM 267 CA THR A 20 6.955 -8.430 9.690 1.00 0.00 C ATOM 268 C THR A 20 5.922 -7.757 8.784 1.00 0.00 C ATOM 269 O THR A 20 4.737 -8.082 8.839 1.00 0.00 O ATOM 270 CB THR A 20 6.505 -8.536 11.149 1.00 0.00 C ATOM 271 OG1 THR A 20 6.659 -7.214 11.657 1.00 0.00 O ATOM 272 CG2 THR A 20 7.464 -9.375 11.997 1.00 0.00 C ATOM 0 H THR A 20 8.147 -6.732 9.985 1.00 0.00 H new ATOM 0 HA THR A 20 7.077 -9.440 9.298 1.00 0.00 H new ATOM 0 HB THR A 20 5.507 -8.972 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.388 -7.192 12.599 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.099 -9.419 13.023 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.522 -10.384 11.589 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.455 -8.920 11.983 1.00 0.00 H new ATOM 280 N GLY A 21 6.410 -6.833 7.970 1.00 0.00 N ATOM 281 CA GLY A 21 5.544 -6.112 7.052 1.00 0.00 C ATOM 282 C GLY A 21 5.838 -6.498 5.602 1.00 0.00 C ATOM 283 O GLY A 21 6.556 -7.464 5.346 1.00 0.00 O ATOM 0 H GLY A 21 7.394 -6.567 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.501 -6.328 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.684 -5.039 7.182 1.00 0.00 H new ATOM 287 N ILE A 22 5.269 -5.724 4.689 1.00 0.00 N ATOM 288 CA ILE A 22 5.462 -5.974 3.271 1.00 0.00 C ATOM 289 C ILE A 22 6.922 -5.703 2.903 1.00 0.00 C ATOM 290 O ILE A 22 7.720 -5.321 3.758 1.00 0.00 O ATOM 291 CB ILE A 22 4.459 -5.166 2.444 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.286 -5.771 1.049 1.00 0.00 C ATOM 293 CG2 ILE A 22 4.861 -3.691 2.383 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.816 -5.761 0.626 1.00 0.00 C ATOM 0 H ILE A 22 4.674 -4.924 4.904 1.00 0.00 H new ATOM 0 HA ILE A 22 5.264 -7.020 3.038 1.00 0.00 H new ATOM 0 HB ILE A 22 3.489 -5.215 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.879 -5.208 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.663 -6.794 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.132 -3.139 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.893 -3.280 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.845 -3.601 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.721 -6.196 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.229 -6.345 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.449 -4.735 0.610 1.00 0.00 H new ATOM 306 N ARG A 23 7.227 -5.911 1.631 1.00 0.00 N ATOM 307 CA ARG A 23 8.578 -5.693 1.140 1.00 0.00 C ATOM 308 C ARG A 23 8.541 -5.136 -0.284 1.00 0.00 C ATOM 309 O ARG A 23 8.548 -5.895 -1.252 1.00 0.00 O ATOM 310 CB ARG A 23 9.384 -6.994 1.151 1.00 0.00 C ATOM 311 CG ARG A 23 9.500 -7.554 2.570 1.00 0.00 C ATOM 312 CD ARG A 23 10.792 -8.356 2.738 1.00 0.00 C ATOM 313 NE ARG A 23 10.590 -9.746 2.272 1.00 0.00 N ATOM 314 CZ ARG A 23 11.585 -10.583 1.949 1.00 0.00 C ATOM 315 NH1 ARG A 23 12.859 -10.176 2.041 1.00 0.00 N ATOM 316 NH2 ARG A 23 11.307 -11.827 1.535 1.00 0.00 N ATOM 0 H ARG A 23 6.562 -6.228 0.925 1.00 0.00 H new ATOM 0 HA ARG A 23 9.060 -4.974 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.905 -7.729 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.379 -6.813 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.479 -6.736 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.642 -8.191 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.597 -7.887 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.097 -8.355 3.785 1.00 0.00 H new ATOM 0 HE ARG A 23 9.633 -10.089 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.070 -9.229 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.617 -10.813 1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.338 -12.137 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.065 -12.464 1.289 1.00 0.00 H new ATOM 330 N PRO A 24 8.503 -3.779 -0.370 1.00 0.00 N ATOM 331 CA PRO A 24 8.465 -3.111 -1.660 1.00 0.00 C ATOM 332 C PRO A 24 9.837 -3.150 -2.337 1.00 0.00 C ATOM 333 O PRO A 24 10.611 -2.199 -2.234 1.00 0.00 O ATOM 334 CB PRO A 24 7.991 -1.699 -1.358 1.00 0.00 C ATOM 335 CG PRO A 24 8.226 -1.489 0.129 1.00 0.00 C ATOM 336 CD PRO A 24 8.494 -2.848 0.755 1.00 0.00 C ATOM 0 HA PRO A 24 7.794 -3.599 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.543 -0.967 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.937 -1.579 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.072 -0.821 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.357 -1.021 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.446 -2.859 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.723 -3.109 1.479 1.00 0.00 H new ATOM 529 N THR A 37 8.469 0.230 -3.897 1.00 0.00 N ATOM 530 CA THR A 37 7.115 -0.167 -4.243 1.00 0.00 C ATOM 531 C THR A 37 6.964 -1.687 -4.149 1.00 0.00 C ATOM 532 O THR A 37 7.953 -2.416 -4.203 1.00 0.00 O ATOM 533 CB THR A 37 6.799 0.389 -5.633 1.00 0.00 C ATOM 534 OG1 THR A 37 7.882 -0.061 -6.442 1.00 0.00 O ATOM 535 CG2 THR A 37 6.901 1.915 -5.690 1.00 0.00 C ATOM 0 HA THR A 37 6.391 0.245 -3.540 1.00 0.00 H new ATOM 0 HB THR A 37 5.796 0.080 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.690 -0.138 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.667 2.258 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.195 2.353 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.914 2.222 -5.428 1.00 0.00 H new ATOM 543 N PHE A 38 5.720 -2.119 -4.009 1.00 0.00 N ATOM 544 CA PHE A 38 5.427 -3.538 -3.907 1.00 0.00 C ATOM 545 C PHE A 38 4.406 -3.965 -4.963 1.00 0.00 C ATOM 546 O PHE A 38 3.361 -3.333 -5.113 1.00 0.00 O ATOM 547 CB PHE A 38 4.834 -3.773 -2.516 1.00 0.00 C ATOM 548 CG PHE A 38 3.605 -2.915 -2.211 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.373 -3.320 -2.621 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.744 -1.746 -1.529 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.233 -2.523 -2.337 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.604 -0.949 -1.246 1.00 0.00 C ATOM 553 CZ PHE A 38 1.372 -1.354 -1.656 1.00 0.00 C ATOM 0 H PHE A 38 4.903 -1.511 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 38 6.336 -4.118 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.563 -4.824 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.600 -3.572 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.262 -4.248 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.722 -1.424 -1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.255 -2.845 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.715 -0.021 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.505 -0.748 -1.441 1.00 0.00 H new ATOM 563 N LEU A 39 4.743 -5.036 -5.667 1.00 0.00 N ATOM 564 CA LEU A 39 3.868 -5.555 -6.705 1.00 0.00 C ATOM 565 C LEU A 39 2.453 -5.709 -6.143 1.00 0.00 C ATOM 566 O LEU A 39 2.280 -6.013 -4.964 1.00 0.00 O ATOM 567 CB LEU A 39 4.441 -6.846 -7.292 1.00 0.00 C ATOM 568 CG LEU A 39 5.918 -6.806 -7.688 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.335 -8.102 -8.385 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.224 -5.572 -8.540 1.00 0.00 C ATOM 0 H LEU A 39 5.610 -5.558 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 39 3.806 -4.854 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.302 -7.645 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.856 -7.112 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 39 6.513 -6.725 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.389 -8.047 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.177 -8.944 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.736 -8.240 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.281 -5.568 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.620 -5.597 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.990 -4.671 -7.973 1.00 0.00 H new ATOM 582 N GLY A 40 1.478 -5.493 -7.014 1.00 0.00 N ATOM 583 CA GLY A 40 0.084 -5.605 -6.620 1.00 0.00 C ATOM 584 C GLY A 40 -0.188 -6.950 -5.943 1.00 0.00 C ATOM 585 O GLY A 40 -0.932 -7.018 -4.966 1.00 0.00 O ATOM 0 H GLY A 40 1.626 -5.241 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.172 -4.793 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.555 -5.499 -7.497 1.00 0.00 H new ATOM 589 N SER A 41 0.429 -7.987 -6.491 1.00 0.00 N ATOM 590 CA SER A 41 0.262 -9.327 -5.953 1.00 0.00 C ATOM 591 C SER A 41 0.894 -9.414 -4.562 1.00 0.00 C ATOM 592 O SER A 41 0.353 -10.067 -3.671 1.00 0.00 O ATOM 593 CB SER A 41 0.878 -10.374 -6.882 1.00 0.00 C ATOM 594 OG SER A 41 0.221 -11.634 -6.777 1.00 0.00 O ATOM 0 H SER A 41 1.045 -7.926 -7.302 1.00 0.00 H new ATOM 0 HA SER A 41 -0.805 -9.534 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.823 -10.022 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.934 -10.495 -6.642 1.00 0.00 H new ATOM 0 HG SER A 41 -0.744 -11.493 -6.685 1.00 0.00 H new ATOM 600 N SER A 42 2.029 -8.747 -4.419 1.00 0.00 N ATOM 601 CA SER A 42 2.740 -8.741 -3.152 1.00 0.00 C ATOM 602 C SER A 42 1.790 -8.340 -2.021 1.00 0.00 C ATOM 603 O SER A 42 1.739 -9.000 -0.985 1.00 0.00 O ATOM 604 CB SER A 42 3.941 -7.794 -3.198 1.00 0.00 C ATOM 605 OG SER A 42 4.922 -8.128 -2.220 1.00 0.00 O ATOM 0 H SER A 42 2.475 -8.206 -5.160 1.00 0.00 H new ATOM 0 HA SER A 42 3.113 -9.748 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.392 -7.828 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.602 -6.771 -3.037 1.00 0.00 H new ATOM 0 HG SER A 42 5.673 -7.502 -2.283 1.00 0.00 H new ATOM 611 N LEU A 43 1.062 -7.259 -2.259 1.00 0.00 N ATOM 612 CA LEU A 43 0.117 -6.762 -1.274 1.00 0.00 C ATOM 613 C LEU A 43 -0.988 -7.799 -1.064 1.00 0.00 C ATOM 614 O LEU A 43 -1.168 -8.304 0.043 1.00 0.00 O ATOM 615 CB LEU A 43 -0.405 -5.382 -1.680 1.00 0.00 C ATOM 616 CG LEU A 43 -1.505 -4.793 -0.795 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.218 -5.058 0.685 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.702 -3.303 -1.082 1.00 0.00 C ATOM 0 H LEU A 43 1.108 -6.714 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 43 0.610 -6.621 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.435 -4.687 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.782 -5.444 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.442 -5.294 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.015 -4.629 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.167 -6.133 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.267 -4.601 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.490 -2.910 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.773 -2.769 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.984 -3.168 -2.126 1.00 0.00 H new ATOM 630 N VAL A 44 -1.699 -8.087 -2.144 1.00 0.00 N ATOM 631 CA VAL A 44 -2.780 -9.055 -2.092 1.00 0.00 C ATOM 632 C VAL A 44 -2.321 -10.286 -1.307 1.00 0.00 C ATOM 633 O VAL A 44 -2.921 -10.639 -0.294 1.00 0.00 O ATOM 634 CB VAL A 44 -3.250 -9.392 -3.509 1.00 0.00 C ATOM 635 CG1 VAL A 44 -4.294 -10.510 -3.490 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.793 -8.148 -4.216 1.00 0.00 C ATOM 0 H VAL A 44 -1.547 -7.666 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.640 -8.638 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.387 -9.749 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.611 -10.729 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.860 -11.405 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.156 -10.193 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.120 -8.414 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.637 -7.749 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.009 -7.393 -4.278 1.00 0.00 H new ATOM 646 N ASP A 45 -1.260 -10.904 -1.806 1.00 0.00 N ATOM 647 CA ASP A 45 -0.713 -12.087 -1.164 1.00 0.00 C ATOM 648 C ASP A 45 -0.411 -11.773 0.303 1.00 0.00 C ATOM 649 O ASP A 45 -0.837 -12.501 1.198 1.00 0.00 O ATOM 650 CB ASP A 45 0.592 -12.523 -1.832 1.00 0.00 C ATOM 651 CG ASP A 45 0.921 -14.011 -1.699 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.344 -14.641 -0.787 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.743 -14.485 -2.513 1.00 0.00 O ATOM 0 H ASP A 45 -0.765 -10.608 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.448 -12.887 -1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.542 -12.271 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.412 -11.945 -1.405 1.00 0.00 H new ATOM 658 N TRP A 46 0.321 -10.687 0.504 1.00 0.00 N ATOM 659 CA TRP A 46 0.684 -10.267 1.846 1.00 0.00 C ATOM 660 C TRP A 46 -0.591 -10.223 2.690 1.00 0.00 C ATOM 661 O TRP A 46 -0.750 -11.010 3.622 1.00 0.00 O ATOM 662 CB TRP A 46 1.430 -8.931 1.820 1.00 0.00 C ATOM 663 CG TRP A 46 1.910 -8.460 3.194 1.00 0.00 C ATOM 664 CD1 TRP A 46 3.029 -8.811 3.842 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.237 -7.530 4.068 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.126 -8.179 5.065 1.00 0.00 N ATOM 667 CE2 TRP A 46 2.001 -7.374 5.207 1.00 0.00 C ATOM 668 CE3 TRP A 46 0.022 -6.842 3.902 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.636 -6.537 6.267 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.330 -6.009 4.971 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.429 -5.842 6.124 1.00 0.00 C ATOM 0 H TRP A 46 0.672 -10.085 -0.241 1.00 0.00 H new ATOM 0 HA TRP A 46 1.376 -10.978 2.298 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.290 -9.020 1.157 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.776 -8.170 1.394 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.763 -9.502 3.455 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.883 -8.283 5.740 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.591 -6.948 3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.252 -6.433 7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.256 -5.458 4.895 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.089 -5.179 6.906 1.00 0.00 H new ATOM 682 N LEU A 47 -1.468 -9.296 2.332 1.00 0.00 N ATOM 683 CA LEU A 47 -2.724 -9.140 3.045 1.00 0.00 C ATOM 684 C LEU A 47 -3.232 -10.515 3.482 1.00 0.00 C ATOM 685 O LEU A 47 -3.518 -10.730 4.659 1.00 0.00 O ATOM 686 CB LEU A 47 -3.727 -8.355 2.196 1.00 0.00 C ATOM 687 CG LEU A 47 -3.540 -6.837 2.170 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.155 -6.230 0.908 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.095 -6.194 3.443 1.00 0.00 C ATOM 0 H LEU A 47 -1.333 -8.646 1.558 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.578 -8.552 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.674 -8.725 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.731 -8.571 2.562 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.471 -6.626 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.008 -5.150 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.674 -6.656 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.222 -6.451 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.949 -5.115 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.159 -6.413 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.572 -6.595 4.311 1.00 0.00 H new ATOM 701 N ILE A 48 -3.329 -11.411 2.510 1.00 0.00 N ATOM 702 CA ILE A 48 -3.798 -12.760 2.780 1.00 0.00 C ATOM 703 C ILE A 48 -2.928 -13.389 3.870 1.00 0.00 C ATOM 704 O ILE A 48 -3.423 -13.734 4.942 1.00 0.00 O ATOM 705 CB ILE A 48 -3.851 -13.577 1.488 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.752 -12.904 0.450 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.278 -15.019 1.768 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.453 -13.427 -0.956 1.00 0.00 C ATOM 0 H ILE A 48 -3.091 -11.229 1.535 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.820 -12.740 3.159 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.846 -13.615 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.798 -13.089 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.604 -11.825 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.308 -15.578 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.563 -15.485 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.268 -15.023 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.107 -12.933 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.413 -13.219 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.626 -14.503 -0.988 1.00 0.00 H new ATOM 720 N SER A 49 -1.647 -13.519 3.559 1.00 0.00 N ATOM 721 CA SER A 49 -0.703 -14.100 4.499 1.00 0.00 C ATOM 722 C SER A 49 -0.794 -13.379 5.845 1.00 0.00 C ATOM 723 O SER A 49 -0.518 -13.968 6.889 1.00 0.00 O ATOM 724 CB SER A 49 0.726 -14.034 3.956 1.00 0.00 C ATOM 725 OG SER A 49 1.667 -14.604 4.861 1.00 0.00 O ATOM 0 H SER A 49 -1.240 -13.232 2.669 1.00 0.00 H new ATOM 0 HA SER A 49 -0.961 -15.150 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.776 -14.559 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.993 -12.995 3.762 1.00 0.00 H new ATOM 0 HG SER A 49 2.567 -14.544 4.478 1.00 0.00 H new ATOM 731 N SER A 50 -1.180 -12.113 5.777 1.00 0.00 N ATOM 732 CA SER A 50 -1.310 -11.305 6.978 1.00 0.00 C ATOM 733 C SER A 50 -2.548 -11.737 7.767 1.00 0.00 C ATOM 734 O SER A 50 -2.698 -11.382 8.935 1.00 0.00 O ATOM 735 CB SER A 50 -1.393 -9.817 6.634 1.00 0.00 C ATOM 736 OG SER A 50 -0.329 -9.406 5.779 1.00 0.00 O ATOM 0 H SER A 50 -1.407 -11.627 4.909 1.00 0.00 H new ATOM 0 HA SER A 50 -0.423 -11.459 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.347 -9.610 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.367 -9.231 7.552 1.00 0.00 H new ATOM 0 HG SER A 50 -0.512 -8.506 5.438 1.00 0.00 H new ATOM 742 N ASN A 51 -3.402 -12.496 7.098 1.00 0.00 N ATOM 743 CA ASN A 51 -4.622 -12.980 7.723 1.00 0.00 C ATOM 744 C ASN A 51 -5.685 -11.881 7.675 1.00 0.00 C ATOM 745 O ASN A 51 -6.693 -11.956 8.376 1.00 0.00 O ATOM 746 CB ASN A 51 -4.383 -13.343 9.189 1.00 0.00 C ATOM 747 CG ASN A 51 -5.440 -14.329 9.690 1.00 0.00 C ATOM 748 OD1 ASN A 51 -5.863 -15.234 8.990 1.00 0.00 O ATOM 749 ND2 ASN A 51 -5.843 -14.103 10.937 1.00 0.00 N ATOM 0 H ASN A 51 -3.274 -12.788 6.129 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.950 -13.867 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.391 -13.780 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.405 -12.440 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.548 -14.706 11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.448 -13.327 11.468 1.00 0.00 H new ATOM 756 N PHE A 52 -5.424 -10.885 6.840 1.00 0.00 N ATOM 757 CA PHE A 52 -6.345 -9.772 6.692 1.00 0.00 C ATOM 758 C PHE A 52 -7.387 -10.063 5.609 1.00 0.00 C ATOM 759 O PHE A 52 -8.421 -9.401 5.544 1.00 0.00 O ATOM 760 CB PHE A 52 -5.516 -8.557 6.271 1.00 0.00 C ATOM 761 CG PHE A 52 -4.561 -8.051 7.354 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.972 -7.992 8.650 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.302 -7.659 7.022 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.085 -7.522 9.655 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.415 -7.189 8.027 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.826 -7.130 9.322 1.00 0.00 C ATOM 0 H PHE A 52 -4.587 -10.826 6.259 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.873 -9.599 7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.939 -8.814 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.191 -7.749 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.972 -8.302 8.914 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.976 -7.705 5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.410 -7.476 10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.415 -6.879 7.763 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.152 -6.772 10.086 1.00 0.00 H new ATOM 776 N ALA A 53 -7.077 -11.054 4.786 1.00 0.00 N ATOM 777 CA ALA A 53 -7.973 -11.440 3.710 1.00 0.00 C ATOM 778 C ALA A 53 -8.080 -12.966 3.664 1.00 0.00 C ATOM 779 O ALA A 53 -7.242 -13.668 4.229 1.00 0.00 O ATOM 780 CB ALA A 53 -7.469 -10.851 2.390 1.00 0.00 C ATOM 0 H ALA A 53 -6.218 -11.601 4.843 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.974 -11.044 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.141 -11.140 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.439 -9.764 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.468 -11.229 2.182 1.00 0.00 H new ATOM 786 N ALA A 54 -9.117 -13.434 2.986 1.00 0.00 N ATOM 787 CA ALA A 54 -9.344 -14.864 2.859 1.00 0.00 C ATOM 788 C ALA A 54 -8.885 -15.328 1.475 1.00 0.00 C ATOM 789 O ALA A 54 -8.389 -16.443 1.324 1.00 0.00 O ATOM 790 CB ALA A 54 -10.820 -15.171 3.118 1.00 0.00 C ATOM 0 H ALA A 54 -9.810 -12.849 2.519 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.762 -15.413 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.991 -16.243 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.087 -14.849 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.435 -14.640 2.392 1.00 0.00 H new ATOM 796 N SER A 55 -9.068 -14.450 0.501 1.00 0.00 N ATOM 797 CA SER A 55 -8.680 -14.755 -0.866 1.00 0.00 C ATOM 798 C SER A 55 -8.201 -13.485 -1.570 1.00 0.00 C ATOM 799 O SER A 55 -8.475 -12.376 -1.113 1.00 0.00 O ATOM 800 CB SER A 55 -9.839 -15.387 -1.640 1.00 0.00 C ATOM 801 OG SER A 55 -9.395 -16.417 -2.519 1.00 0.00 O ATOM 0 H SER A 55 -9.480 -13.526 0.631 1.00 0.00 H new ATOM 0 HA SER A 55 -7.863 -15.476 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.563 -15.798 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.354 -14.617 -2.215 1.00 0.00 H new ATOM 0 HG SER A 55 -10.164 -16.796 -2.993 1.00 0.00 H new ATOM 807 N ARG A 56 -7.493 -13.688 -2.672 1.00 0.00 N ATOM 808 CA ARG A 56 -6.974 -12.573 -3.444 1.00 0.00 C ATOM 809 C ARG A 56 -8.003 -11.442 -3.503 1.00 0.00 C ATOM 810 O ARG A 56 -7.640 -10.267 -3.517 1.00 0.00 O ATOM 811 CB ARG A 56 -6.621 -13.006 -4.869 1.00 0.00 C ATOM 812 CG ARG A 56 -5.139 -13.369 -4.980 1.00 0.00 C ATOM 813 CD ARG A 56 -4.961 -14.792 -5.513 1.00 0.00 C ATOM 814 NE ARG A 56 -4.371 -15.655 -4.466 1.00 0.00 N ATOM 815 CZ ARG A 56 -3.687 -16.780 -4.718 1.00 0.00 C ATOM 816 NH1 ARG A 56 -3.503 -17.184 -5.982 1.00 0.00 N ATOM 817 NH2 ARG A 56 -3.187 -17.500 -3.704 1.00 0.00 N ATOM 0 H ARG A 56 -7.267 -14.609 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.070 -12.220 -2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.231 -13.863 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.855 -12.201 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.637 -12.664 -5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.665 -13.281 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.924 -15.194 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.317 -14.782 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.492 -15.377 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.883 -16.635 -6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.982 -18.040 -6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.327 -17.192 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.666 -18.356 -3.895 1.00 0.00 H new ATOM 831 N LEU A 57 -9.267 -11.837 -3.536 1.00 0.00 N ATOM 832 CA LEU A 57 -10.352 -10.872 -3.592 1.00 0.00 C ATOM 833 C LEU A 57 -10.299 -9.978 -2.351 1.00 0.00 C ATOM 834 O LEU A 57 -9.977 -8.795 -2.447 1.00 0.00 O ATOM 835 CB LEU A 57 -11.693 -11.583 -3.781 1.00 0.00 C ATOM 836 CG LEU A 57 -12.684 -10.906 -4.730 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.415 -9.758 -4.031 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.988 -10.445 -6.012 1.00 0.00 C ATOM 0 H LEU A 57 -9.564 -12.813 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.238 -10.221 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.499 -12.590 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.168 -11.686 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.437 -11.640 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.113 -9.294 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.963 -10.145 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.690 -9.016 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.715 -9.967 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.201 -9.733 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.552 -11.306 -6.519 1.00 0.00 H new ATOM 850 N GLU A 58 -10.620 -10.579 -1.215 1.00 0.00 N ATOM 851 CA GLU A 58 -10.613 -9.853 0.043 1.00 0.00 C ATOM 852 C GLU A 58 -9.396 -8.929 0.116 1.00 0.00 C ATOM 853 O GLU A 58 -9.480 -7.827 0.657 1.00 0.00 O ATOM 854 CB GLU A 58 -10.643 -10.815 1.232 1.00 0.00 C ATOM 855 CG GLU A 58 -12.073 -11.264 1.538 1.00 0.00 C ATOM 856 CD GLU A 58 -12.083 -12.408 2.555 1.00 0.00 C ATOM 857 OE1 GLU A 58 -11.546 -12.187 3.662 1.00 0.00 O ATOM 858 OE2 GLU A 58 -12.627 -13.477 2.202 1.00 0.00 O ATOM 0 H GLU A 58 -10.887 -11.561 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.513 -9.240 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.023 -11.685 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.215 -10.329 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.647 -10.423 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.562 -11.586 0.618 1.00 0.00 H new ATOM 865 N ALA A 59 -8.293 -9.412 -0.436 1.00 0.00 N ATOM 866 CA ALA A 59 -7.060 -8.643 -0.441 1.00 0.00 C ATOM 867 C ALA A 59 -7.154 -7.541 -1.499 1.00 0.00 C ATOM 868 O ALA A 59 -6.790 -6.395 -1.241 1.00 0.00 O ATOM 869 CB ALA A 59 -5.874 -9.580 -0.679 1.00 0.00 C ATOM 0 H ALA A 59 -8.227 -10.326 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.906 -8.161 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.949 -9.003 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.834 -10.325 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.993 -10.081 -1.640 1.00 0.00 H new ATOM 875 N VAL A 60 -7.645 -7.928 -2.667 1.00 0.00 N ATOM 876 CA VAL A 60 -7.793 -6.987 -3.765 1.00 0.00 C ATOM 877 C VAL A 60 -8.558 -5.756 -3.276 1.00 0.00 C ATOM 878 O VAL A 60 -8.160 -4.625 -3.551 1.00 0.00 O ATOM 879 CB VAL A 60 -8.463 -7.675 -4.956 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.981 -6.645 -5.963 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.509 -8.665 -5.626 1.00 0.00 C ATOM 0 H VAL A 60 -7.945 -8.880 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.817 -6.646 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.318 -8.237 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.453 -7.160 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.711 -5.997 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.149 -6.044 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.011 -9.140 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.625 -8.135 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.210 -9.427 -4.906 1.00 0.00 H new ATOM 891 N THR A 61 -9.641 -6.017 -2.561 1.00 0.00 N ATOM 892 CA THR A 61 -10.466 -4.944 -2.032 1.00 0.00 C ATOM 893 C THR A 61 -9.734 -4.217 -0.901 1.00 0.00 C ATOM 894 O THR A 61 -9.737 -2.989 -0.844 1.00 0.00 O ATOM 895 CB THR A 61 -11.805 -5.545 -1.601 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.706 -5.163 -2.637 1.00 0.00 O ATOM 897 CG2 THR A 61 -12.373 -4.874 -0.349 1.00 0.00 C ATOM 0 H THR A 61 -9.967 -6.957 -2.335 1.00 0.00 H new ATOM 0 HA THR A 61 -10.663 -4.186 -2.790 1.00 0.00 H new ATOM 0 HB THR A 61 -11.681 -6.612 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.600 -5.513 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.324 -5.338 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.672 -4.992 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.529 -3.813 -0.544 1.00 0.00 H new ATOM 905 N LEU A 62 -9.126 -5.008 -0.029 1.00 0.00 N ATOM 906 CA LEU A 62 -8.392 -4.455 1.097 1.00 0.00 C ATOM 907 C LEU A 62 -7.351 -3.459 0.582 1.00 0.00 C ATOM 908 O LEU A 62 -7.156 -2.399 1.174 1.00 0.00 O ATOM 909 CB LEU A 62 -7.799 -5.577 1.952 1.00 0.00 C ATOM 910 CG LEU A 62 -8.573 -5.932 3.223 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.057 -7.382 3.184 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.739 -5.639 4.472 1.00 0.00 C ATOM 0 H LEU A 62 -9.127 -6.027 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.063 -3.903 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.720 -6.473 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.785 -5.294 2.235 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.459 -5.299 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.604 -7.608 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.713 -7.524 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.200 -8.050 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.312 -5.900 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.823 -6.229 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.487 -4.579 4.501 1.00 0.00 H new ATOM 924 N ALA A 63 -6.711 -3.835 -0.516 1.00 0.00 N ATOM 925 CA ALA A 63 -5.696 -2.987 -1.117 1.00 0.00 C ATOM 926 C ALA A 63 -6.335 -1.670 -1.563 1.00 0.00 C ATOM 927 O ALA A 63 -5.929 -0.598 -1.119 1.00 0.00 O ATOM 928 CB ALA A 63 -5.028 -3.733 -2.274 1.00 0.00 C ATOM 0 H ALA A 63 -6.876 -4.715 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.919 -2.746 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.266 -3.097 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.564 -4.645 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.777 -3.989 -3.023 1.00 0.00 H new ATOM 934 N SER A 64 -7.324 -1.796 -2.435 1.00 0.00 N ATOM 935 CA SER A 64 -8.023 -0.629 -2.946 1.00 0.00 C ATOM 936 C SER A 64 -8.571 0.203 -1.785 1.00 0.00 C ATOM 937 O SER A 64 -8.702 1.421 -1.897 1.00 0.00 O ATOM 938 CB SER A 64 -9.157 -1.036 -3.890 1.00 0.00 C ATOM 939 OG SER A 64 -10.381 -1.251 -3.192 1.00 0.00 O ATOM 0 H SER A 64 -7.658 -2.688 -2.801 1.00 0.00 H new ATOM 0 HA SER A 64 -7.314 -0.026 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.300 -0.259 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.878 -1.946 -4.421 1.00 0.00 H new ATOM 0 HG SER A 64 -10.217 -1.820 -2.411 1.00 0.00 H new ATOM 945 N MET A 65 -8.877 -0.488 -0.697 1.00 0.00 N ATOM 946 CA MET A 65 -9.408 0.172 0.484 1.00 0.00 C ATOM 947 C MET A 65 -8.341 1.041 1.153 1.00 0.00 C ATOM 948 O MET A 65 -8.641 2.124 1.652 1.00 0.00 O ATOM 949 CB MET A 65 -9.906 -0.880 1.477 1.00 0.00 C ATOM 950 CG MET A 65 -11.332 -1.320 1.140 1.00 0.00 C ATOM 951 SD MET A 65 -12.412 -1.001 2.524 1.00 0.00 S ATOM 952 CE MET A 65 -11.806 -2.220 3.679 1.00 0.00 C ATOM 0 H MET A 65 -8.767 -1.498 -0.608 1.00 0.00 H new ATOM 0 HA MET A 65 -10.233 0.814 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.242 -1.744 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.876 -0.474 2.488 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.688 -0.785 0.260 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.345 -2.382 0.895 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.730 -1.775 4.671 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.494 -3.064 3.711 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.823 -2.566 3.360 1.00 0.00 H new ATOM 962 N LEU A 66 -7.117 0.533 1.141 1.00 0.00 N ATOM 963 CA LEU A 66 -6.004 1.249 1.741 1.00 0.00 C ATOM 964 C LEU A 66 -5.673 2.475 0.887 1.00 0.00 C ATOM 965 O LEU A 66 -5.428 3.557 1.417 1.00 0.00 O ATOM 966 CB LEU A 66 -4.816 0.310 1.955 1.00 0.00 C ATOM 967 CG LEU A 66 -5.098 -0.953 2.771 1.00 0.00 C ATOM 968 CD1 LEU A 66 -4.322 -2.149 2.217 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.809 -0.722 4.256 1.00 0.00 C ATOM 0 H LEU A 66 -6.872 -0.366 0.725 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.275 1.613 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.435 0.010 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.021 0.868 2.450 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.159 -1.187 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.541 -3.033 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.618 -2.328 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.253 -1.939 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.018 -1.635 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.761 -0.449 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.442 0.083 4.629 1.00 0.00 H new ATOM 981 N MET A 67 -5.676 2.264 -0.421 1.00 0.00 N ATOM 982 CA MET A 67 -5.379 3.338 -1.353 1.00 0.00 C ATOM 983 C MET A 67 -6.341 4.513 -1.161 1.00 0.00 C ATOM 984 O MET A 67 -5.940 5.671 -1.265 1.00 0.00 O ATOM 985 CB MET A 67 -5.491 2.816 -2.787 1.00 0.00 C ATOM 986 CG MET A 67 -4.209 2.098 -3.211 1.00 0.00 C ATOM 987 SD MET A 67 -4.073 2.090 -4.990 1.00 0.00 S ATOM 988 CE MET A 67 -5.800 2.017 -5.433 1.00 0.00 C ATOM 0 H MET A 67 -5.880 1.365 -0.857 1.00 0.00 H new ATOM 0 HA MET A 67 -4.365 3.688 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.337 2.133 -2.864 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.689 3.646 -3.465 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.343 2.595 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.214 1.075 -2.834 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.895 1.722 -6.478 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.307 1.287 -4.802 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.254 2.998 -5.290 1.00 0.00 H new ATOM 998 N GLU A 68 -7.591 4.173 -0.883 1.00 0.00 N ATOM 999 CA GLU A 68 -8.613 5.185 -0.675 1.00 0.00 C ATOM 1000 C GLU A 68 -8.295 6.011 0.573 1.00 0.00 C ATOM 1001 O GLU A 68 -8.350 7.239 0.540 1.00 0.00 O ATOM 1002 CB GLU A 68 -10.001 4.549 -0.573 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.779 4.722 -1.879 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.988 5.639 -1.680 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -13.064 5.097 -1.347 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -11.808 6.862 -1.865 1.00 0.00 O ATOM 0 H GLU A 68 -7.919 3.211 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.618 5.852 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.903 3.488 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.555 5.005 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.124 5.139 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.112 3.749 -2.240 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.970 5.303 1.645 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.644 5.956 2.902 1.00 0.00 C ATOM 1015 C GLU A 69 -6.428 6.869 2.726 1.00 0.00 C ATOM 1016 O GLU A 69 -6.126 7.681 3.599 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.401 4.927 4.008 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.720 4.483 4.643 1.00 0.00 C ATOM 1019 CD GLU A 69 -9.303 5.589 5.525 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -8.496 6.248 6.216 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -10.542 5.750 5.490 1.00 0.00 O ATOM 0 H GLU A 69 -7.925 4.284 1.669 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.494 6.569 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.882 4.061 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.752 5.355 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.434 4.221 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.557 3.585 5.239 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.765 6.705 1.591 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.589 7.504 1.290 1.00 0.00 C ATOM 1030 C ASN A 70 -3.356 6.843 1.910 1.00 0.00 C ATOM 1031 O ASN A 70 -2.367 7.515 2.199 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.715 8.912 1.875 1.00 0.00 C ATOM 1033 CG ASN A 70 -3.903 9.920 1.059 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -3.948 9.951 -0.159 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -3.160 10.740 1.798 1.00 0.00 N ATOM 0 H ASN A 70 -6.019 6.031 0.869 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.495 7.571 0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.763 9.211 1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.369 8.912 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.581 11.449 1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.169 10.659 2.815 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.455 5.535 2.096 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.361 4.777 2.676 1.00 0.00 C ATOM 1044 C PHE A 71 -1.392 4.296 1.593 1.00 0.00 C ATOM 1045 O PHE A 71 -0.190 4.194 1.831 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.977 3.560 3.369 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.777 3.900 4.628 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.271 4.773 5.540 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.994 3.330 4.835 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -4.014 5.089 6.709 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.737 3.645 6.004 1.00 0.00 C ATOM 1052 CZ PHE A 71 -5.231 4.518 6.916 1.00 0.00 C ATOM 0 H PHE A 71 -4.277 4.981 1.855 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.804 5.403 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.630 3.045 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.181 2.864 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.304 5.226 5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.396 2.637 4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.613 5.782 7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.703 3.191 6.169 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.796 4.758 7.805 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.953 4.012 0.427 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.155 3.545 -0.693 1.00 0.00 C ATOM 1064 C LEU A 72 -1.676 4.177 -1.985 1.00 0.00 C ATOM 1065 O LEU A 72 -2.726 4.818 -1.987 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.123 2.015 -0.727 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.279 1.305 -0.021 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.861 0.197 -0.901 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.845 0.780 1.349 1.00 0.00 C ATOM 0 H LEU A 72 -2.951 4.096 0.234 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.118 3.861 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.108 1.695 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.188 1.681 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.073 2.032 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.681 -0.292 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.232 0.628 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.085 -0.536 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.686 0.280 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.025 0.073 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.515 1.613 1.970 1.00 0.00 H new ATOM 1081 N ARG A 73 -0.917 3.976 -3.053 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.290 4.519 -4.348 1.00 0.00 C ATOM 1083 C ARG A 73 -0.682 3.677 -5.471 1.00 0.00 C ATOM 1084 O ARG A 73 0.349 3.033 -5.281 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.818 5.968 -4.494 1.00 0.00 C ATOM 1086 CG ARG A 73 0.676 6.091 -4.190 1.00 0.00 C ATOM 1087 CD ARG A 73 0.905 6.571 -2.755 1.00 0.00 C ATOM 1088 NE ARG A 73 2.203 7.276 -2.658 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.423 8.512 -3.127 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.434 9.187 -3.728 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.633 9.073 -2.995 1.00 0.00 N ATOM 0 H ARG A 73 -0.046 3.445 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.377 4.494 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.017 6.319 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.384 6.609 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.161 5.126 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.137 6.789 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.097 7.237 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.891 5.722 -2.072 1.00 0.00 H new ATOM 0 HE ARG A 73 2.978 6.791 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.513 8.760 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.602 10.128 -4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.386 8.559 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.801 10.014 -3.352 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.364 3.709 -6.648 1.00 0.00 N ATOM 1106 CA PRO A 74 -0.902 2.957 -7.802 1.00 0.00 C ATOM 1107 C PRO A 74 0.311 3.630 -8.446 1.00 0.00 C ATOM 1108 O PRO A 74 0.531 4.827 -8.264 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.103 2.883 -8.730 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.047 3.985 -8.278 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.588 4.461 -6.910 1.00 0.00 C ATOM 0 HA PRO A 74 -0.555 1.957 -7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.804 3.026 -9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.584 1.907 -8.669 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.040 4.809 -8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.071 3.614 -8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.402 5.535 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.343 4.266 -6.149 1.00 0.00 H new ATOM 1361 N PHE A 92 -7.835 -1.877 -8.515 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.612 -2.563 -8.134 1.00 0.00 C ATOM 1363 C PHE A 92 -6.431 -3.850 -8.940 1.00 0.00 C ATOM 1364 O PHE A 92 -7.354 -4.296 -9.620 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.742 -2.917 -6.651 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.402 -3.109 -5.937 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.724 -2.030 -5.464 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.890 -4.358 -5.776 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.480 -2.207 -4.801 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.647 -4.536 -5.114 1.00 0.00 C ATOM 1371 CZ PHE A 92 -2.968 -3.457 -4.640 1.00 0.00 C ATOM 0 HA PHE A 92 -5.751 -1.923 -8.326 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.301 -2.128 -6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.327 -3.832 -6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.131 -1.038 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.429 -5.215 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.941 -1.350 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.240 -5.528 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.023 -3.593 -4.136 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.236 -4.412 -8.837 1.00 0.00 N ATOM 1382 CA LEU A 93 -4.922 -5.640 -9.549 1.00 0.00 C ATOM 1383 C LEU A 93 -4.169 -6.588 -8.613 1.00 0.00 C ATOM 1384 O LEU A 93 -3.758 -6.193 -7.523 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.172 -5.331 -10.845 1.00 0.00 C ATOM 1386 CG LEU A 93 -4.765 -4.221 -11.716 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -3.679 -3.539 -12.550 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -5.904 -4.757 -12.586 1.00 0.00 C ATOM 0 H LEU A 93 -4.473 -4.040 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.837 -6.150 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.147 -5.059 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.122 -6.244 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.191 -3.462 -11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.127 -2.754 -13.160 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.932 -3.102 -11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.202 -4.274 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.308 -3.948 -13.195 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.525 -5.546 -13.235 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.691 -5.159 -11.948 1.00 0.00 H new ATOM 1400 N ASP A 94 -4.012 -7.821 -9.073 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.316 -8.828 -8.291 1.00 0.00 C ATOM 1402 C ASP A 94 -2.314 -9.560 -9.186 1.00 0.00 C ATOM 1403 O ASP A 94 -2.507 -10.729 -9.513 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.294 -9.864 -7.732 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.646 -11.143 -7.200 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.974 -11.045 -6.151 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.837 -12.191 -7.855 1.00 0.00 O ATOM 0 H ASP A 94 -4.355 -8.145 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.812 -8.325 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.867 -9.403 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.003 -10.132 -8.515 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.265 -8.840 -9.557 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.232 -9.406 -10.408 1.00 0.00 C ATOM 1414 C ASP A 95 1.097 -8.701 -10.127 1.00 0.00 C ATOM 1415 O ASP A 95 1.126 -7.666 -9.464 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.568 -9.209 -11.887 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.744 -10.501 -12.688 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -0.588 -11.577 -12.070 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -1.029 -10.384 -13.899 1.00 0.00 O ATOM 0 H ASP A 95 -1.108 -7.870 -9.284 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.164 -10.472 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.486 -8.626 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.223 -8.618 -12.348 1.00 0.00 H new ATOM 1424 N SER A 96 2.164 -9.290 -10.646 1.00 0.00 N ATOM 1425 CA SER A 96 3.492 -8.732 -10.459 1.00 0.00 C ATOM 1426 C SER A 96 3.552 -7.318 -11.040 1.00 0.00 C ATOM 1427 O SER A 96 3.885 -6.367 -10.335 1.00 0.00 O ATOM 1428 CB SER A 96 4.558 -9.617 -11.108 1.00 0.00 C ATOM 1429 OG SER A 96 4.516 -10.953 -10.613 1.00 0.00 O ATOM 0 H SER A 96 2.136 -10.148 -11.196 1.00 0.00 H new ATOM 0 HA SER A 96 3.696 -8.688 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.413 -9.626 -12.188 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.544 -9.192 -10.922 1.00 0.00 H new ATOM 0 HG SER A 96 5.210 -11.487 -11.053 1.00 0.00 H new ATOM 1435 N THR A 97 3.223 -7.224 -12.320 1.00 0.00 N ATOM 1436 CA THR A 97 3.235 -5.942 -13.004 1.00 0.00 C ATOM 1437 C THR A 97 2.691 -4.844 -12.088 1.00 0.00 C ATOM 1438 O THR A 97 3.433 -3.957 -11.667 1.00 0.00 O ATOM 1439 CB THR A 97 2.446 -6.093 -14.306 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.337 -6.913 -13.947 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.196 -6.918 -15.353 1.00 0.00 C ATOM 0 H THR A 97 2.946 -8.015 -12.902 1.00 0.00 H new ATOM 0 HA THR A 97 4.251 -5.638 -13.256 1.00 0.00 H new ATOM 0 HB THR A 97 2.225 -5.106 -14.712 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.771 -7.060 -14.733 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.592 -6.994 -16.257 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.143 -6.432 -15.589 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.389 -7.916 -14.960 1.00 0.00 H new ATOM 1449 N ALA A 98 1.400 -4.939 -11.805 1.00 0.00 N ATOM 1450 CA ALA A 98 0.748 -3.965 -10.947 1.00 0.00 C ATOM 1451 C ALA A 98 1.689 -3.592 -9.800 1.00 0.00 C ATOM 1452 O ALA A 98 2.356 -4.456 -9.233 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.582 -4.533 -10.448 1.00 0.00 C ATOM 0 H ALA A 98 0.788 -5.676 -12.155 1.00 0.00 H new ATOM 0 HA ALA A 98 0.526 -3.053 -11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.071 -3.802 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.225 -4.755 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.398 -5.448 -9.884 1.00 0.00 H new ATOM 1459 N LEU A 99 1.713 -2.304 -9.491 1.00 0.00 N ATOM 1460 CA LEU A 99 2.561 -1.806 -8.422 1.00 0.00 C ATOM 1461 C LEU A 99 1.775 -0.800 -7.578 1.00 0.00 C ATOM 1462 O LEU A 99 0.790 -0.229 -8.045 1.00 0.00 O ATOM 1463 CB LEU A 99 3.866 -1.244 -8.990 1.00 0.00 C ATOM 1464 CG LEU A 99 5.045 -2.218 -9.052 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.969 -1.885 -10.226 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.798 -2.252 -7.721 1.00 0.00 C ATOM 0 H LEU A 99 1.158 -1.590 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 99 2.853 -2.620 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.672 -0.875 -9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.161 -0.385 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 99 4.653 -3.220 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.799 -2.592 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.410 -1.953 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.357 -0.873 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.631 -2.952 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.179 -1.256 -7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.122 -2.572 -6.928 1.00 0.00 H new ATOM 1478 N TYR A 100 2.238 -0.615 -6.351 1.00 0.00 N ATOM 1479 CA TYR A 100 1.590 0.312 -5.439 1.00 0.00 C ATOM 1480 C TYR A 100 2.541 0.731 -4.316 1.00 0.00 C ATOM 1481 O TYR A 100 3.238 -0.105 -3.744 1.00 0.00 O ATOM 1482 CB TYR A 100 0.409 -0.449 -4.833 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.630 -0.904 -5.860 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -0.449 -2.088 -6.546 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -1.748 -0.131 -6.100 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -1.427 -2.516 -7.513 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -2.726 -0.559 -7.066 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.517 -1.731 -7.725 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.441 -2.135 -8.638 1.00 0.00 O ATOM 0 H TYR A 100 3.054 -1.091 -5.967 1.00 0.00 H new ATOM 0 HA TYR A 100 1.280 1.215 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.787 -1.323 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.079 0.187 -4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.425 -2.693 -6.358 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.889 0.795 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.298 -3.440 -8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.605 0.036 -7.263 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.060 -2.844 -9.197 1.00 0.00 H new ATOM 1499 N THR A 101 2.539 2.026 -4.034 1.00 0.00 N ATOM 1500 CA THR A 101 3.392 2.566 -2.989 1.00 0.00 C ATOM 1501 C THR A 101 2.547 3.096 -1.830 1.00 0.00 C ATOM 1502 O THR A 101 1.347 2.834 -1.762 1.00 0.00 O ATOM 1503 CB THR A 101 4.295 3.629 -3.619 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.170 4.012 -2.562 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.536 4.914 -3.959 1.00 0.00 C ATOM 0 H THR A 101 1.960 2.717 -4.511 1.00 0.00 H new ATOM 0 HA THR A 101 4.027 1.792 -2.558 1.00 0.00 H new ATOM 0 HB THR A 101 4.753 3.227 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.557 3.211 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.222 5.635 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.738 4.689 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.107 5.334 -3.050 1.00 0.00 H new ATOM 1513 N PHE A 102 3.206 3.831 -0.946 1.00 0.00 N ATOM 1514 CA PHE A 102 2.529 4.400 0.207 1.00 0.00 C ATOM 1515 C PHE A 102 2.217 5.881 -0.017 1.00 0.00 C ATOM 1516 O PHE A 102 3.091 6.651 -0.410 1.00 0.00 O ATOM 1517 CB PHE A 102 3.483 4.266 1.396 1.00 0.00 C ATOM 1518 CG PHE A 102 3.759 2.819 1.811 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.724 1.968 2.040 1.00 0.00 C ATOM 1520 CD2 PHE A 102 5.041 2.386 1.952 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.981 0.625 2.426 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.298 1.043 2.337 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.263 0.192 2.566 1.00 0.00 C ATOM 0 H PHE A 102 4.201 4.046 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 102 1.587 3.880 0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.428 4.749 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.065 4.804 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.707 2.313 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.863 3.063 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.159 -0.052 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.315 0.698 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.459 -0.829 2.859 1.00 0.00 H new ATOM 1533 N ALA A 103 0.967 6.235 0.244 1.00 0.00 N ATOM 1534 CA ALA A 103 0.528 7.610 0.077 1.00 0.00 C ATOM 1535 C ALA A 103 1.044 8.451 1.246 1.00 0.00 C ATOM 1536 O ALA A 103 1.644 7.921 2.180 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.997 7.648 -0.040 1.00 0.00 C ATOM 0 H ALA A 103 0.244 5.593 0.570 1.00 0.00 H new ATOM 0 HA ALA A 103 0.936 8.035 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.327 8.679 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.311 7.060 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.442 7.232 0.864 1.00 0.00 H new