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= -0.981 F(o=-2.9!,f=-0.98) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -138:sc= -1.22 (180deg=-4.5!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.821 F(o=-1.5,f=-0.82) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 37 THR OG1 : rot -20:sc= 0.718 USER MOD Single : A 41 SER OG : rot 180:sc= 0 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 131:sc= 0.159 USER MOD Single : A 51 ASN : amide:sc= -0.0617 K(o=-0.062,f=-1.4) 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 -52:sc= 0.234 USER MOD Single : A 65 MET CE :methyl -120:sc= 0 (180deg=-1.79!) USER MOD Single : A 67 MET CE :methyl -157:sc= -0.0101 (180deg=-0.813) USER MOD Single : A 70 ASN : amide:sc= -0.475 K(o=-0.47,f=-3.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 100 TYR OH : rot 165:sc= -1.41 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0531 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -8.335 -1.196 8.827 1.00 0.00 N ATOM 67 CA LEU A 8 -7.264 -0.811 7.925 1.00 0.00 C ATOM 68 C LEU A 8 -6.099 -0.241 8.736 1.00 0.00 C ATOM 69 O LEU A 8 -4.937 -0.430 8.379 1.00 0.00 O ATOM 70 CB LEU A 8 -7.786 0.140 6.847 1.00 0.00 C ATOM 71 CG LEU A 8 -8.816 -0.445 5.878 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.491 0.660 5.062 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.182 -1.512 4.983 1.00 0.00 C ATOM 0 HA LEU A 8 -6.885 -1.683 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.230 1.006 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.937 0.502 6.268 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.595 -0.935 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.218 0.217 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.998 1.351 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.738 1.200 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.935 -1.912 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.372 -1.068 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.787 -2.318 5.602 1.00 0.00 H new ATOM 85 N HIS A 9 -6.450 0.446 9.813 1.00 0.00 N ATOM 86 CA HIS A 9 -5.448 1.045 10.679 1.00 0.00 C ATOM 87 C HIS A 9 -4.448 -0.024 11.122 1.00 0.00 C ATOM 88 O HIS A 9 -3.242 0.137 10.942 1.00 0.00 O ATOM 89 CB HIS A 9 -6.108 1.765 11.857 1.00 0.00 C ATOM 90 CG HIS A 9 -5.187 1.994 13.031 1.00 0.00 C ATOM 91 ND1 HIS A 9 -4.453 1.115 13.772 1.00 0.00 N flip ATOM 92 CD2 HIS A 9 -4.944 3.250 13.559 1.00 0.00 C flip ATOM 93 CE1 HIS A 9 -3.796 1.798 14.702 1.00 0.00 C flip ATOM 94 NE2 HIS A 9 -4.100 3.121 14.572 1.00 0.00 N flip ATOM 0 H HIS A 9 -7.415 0.601 10.106 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.894 1.805 10.129 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.489 2.727 11.514 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.967 1.183 12.190 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.370 4.177 13.205 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.130 1.375 15.440 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.741 3.878 15.153 1.00 0.00 H new ATOM 102 N ARG A 10 -4.986 -1.091 11.694 1.00 0.00 N ATOM 103 CA ARG A 10 -4.155 -2.186 12.165 1.00 0.00 C ATOM 104 C ARG A 10 -3.396 -2.818 10.996 1.00 0.00 C ATOM 105 O ARG A 10 -2.385 -3.489 11.197 1.00 0.00 O ATOM 106 CB ARG A 10 -4.998 -3.260 12.855 1.00 0.00 C ATOM 107 CG ARG A 10 -5.702 -4.149 11.828 1.00 0.00 C ATOM 108 CD ARG A 10 -5.113 -5.561 11.831 1.00 0.00 C ATOM 109 NE ARG A 10 -6.136 -6.535 12.272 1.00 0.00 N ATOM 110 CZ ARG A 10 -6.396 -6.822 13.555 1.00 0.00 C ATOM 111 NH1 ARG A 10 -5.710 -6.211 14.531 1.00 0.00 N ATOM 112 NH2 ARG A 10 -7.342 -7.720 13.863 1.00 0.00 N ATOM 0 H ARG A 10 -5.987 -1.221 11.842 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.446 -1.777 12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.362 -3.871 13.495 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.738 -2.787 13.500 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.768 -4.195 12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.603 -3.712 10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.760 -5.819 10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.249 -5.602 12.495 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.677 -7.018 11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.990 -5.527 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.908 -6.430 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.864 -8.185 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.539 -7.938 14.840 1.00 0.00 H new ATOM 126 N ILE A 11 -3.913 -2.580 9.799 1.00 0.00 N ATOM 127 CA ILE A 11 -3.297 -3.117 8.598 1.00 0.00 C ATOM 128 C ILE A 11 -2.132 -2.216 8.181 1.00 0.00 C ATOM 129 O ILE A 11 -1.061 -2.705 7.825 1.00 0.00 O ATOM 130 CB ILE A 11 -4.344 -3.314 7.500 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.350 -4.399 7.891 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.680 -3.608 6.154 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.552 -4.399 6.945 1.00 0.00 C ATOM 0 H ILE A 11 -4.751 -2.023 9.636 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.883 -4.106 8.793 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.900 -2.383 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.865 -5.375 7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.688 -4.235 8.914 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.447 -3.744 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.036 -2.774 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.083 -4.516 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.251 -5.179 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.049 -3.430 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.213 -4.588 5.926 1.00 0.00 H new ATOM 145 N VAL A 12 -2.381 -0.916 8.240 1.00 0.00 N ATOM 146 CA VAL A 12 -1.366 0.057 7.873 1.00 0.00 C ATOM 147 C VAL A 12 -0.177 -0.068 8.828 1.00 0.00 C ATOM 148 O VAL A 12 0.970 -0.142 8.390 1.00 0.00 O ATOM 149 CB VAL A 12 -1.972 1.462 7.853 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.887 2.524 7.660 1.00 0.00 C ATOM 151 CG2 VAL A 12 -3.051 1.578 6.775 1.00 0.00 C ATOM 0 H VAL A 12 -3.270 -0.514 8.536 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.996 -0.138 6.866 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.444 1.637 8.820 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.344 3.513 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.170 2.464 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.373 2.352 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.465 2.586 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.613 1.372 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.845 0.858 6.976 1.00 0.00 H new ATOM 161 N ASP A 13 -0.492 -0.087 10.114 1.00 0.00 N ATOM 162 CA ASP A 13 0.537 -0.202 11.135 1.00 0.00 C ATOM 163 C ASP A 13 1.481 -1.350 10.774 1.00 0.00 C ATOM 164 O ASP A 13 2.696 -1.230 10.925 1.00 0.00 O ATOM 165 CB ASP A 13 -0.076 -0.507 12.503 1.00 0.00 C ATOM 166 CG ASP A 13 -0.527 0.721 13.297 1.00 0.00 C ATOM 167 OD1 ASP A 13 -0.588 1.806 12.680 1.00 0.00 O ATOM 168 OD2 ASP A 13 -0.799 0.547 14.505 1.00 0.00 O ATOM 0 H ASP A 13 -1.445 -0.025 10.473 1.00 0.00 H new ATOM 0 HA ASP A 13 1.072 0.747 11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.934 -1.165 12.362 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.654 -1.057 13.097 1.00 0.00 H new ATOM 173 N LYS A 14 0.888 -2.437 10.304 1.00 0.00 N ATOM 174 CA LYS A 14 1.661 -3.606 9.920 1.00 0.00 C ATOM 175 C LYS A 14 2.549 -3.254 8.724 1.00 0.00 C ATOM 176 O LYS A 14 3.757 -3.484 8.755 1.00 0.00 O ATOM 177 CB LYS A 14 0.739 -4.801 9.671 1.00 0.00 C ATOM 178 CG LYS A 14 1.153 -6.001 10.524 1.00 0.00 C ATOM 179 CD LYS A 14 -0.067 -6.667 11.163 1.00 0.00 C ATOM 180 CE LYS A 14 0.337 -7.493 12.386 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.515 -7.153 13.547 1.00 0.00 N ATOM 0 H LYS A 14 -0.120 -2.533 10.180 1.00 0.00 H new ATOM 0 HA LYS A 14 2.323 -3.908 10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.290 -4.525 9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.768 -5.073 8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.685 -6.725 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.844 -5.677 11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.789 -5.905 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.560 -7.309 10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.247 -8.556 12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.383 -7.306 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.227 -7.723 14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.408 -6.143 13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.510 -7.354 13.318 1.00 0.00 H new ATOM 195 N MET A 15 1.916 -2.703 7.699 1.00 0.00 N ATOM 196 CA MET A 15 2.633 -2.318 6.496 1.00 0.00 C ATOM 197 C MET A 15 3.764 -1.340 6.821 1.00 0.00 C ATOM 198 O MET A 15 4.817 -1.371 6.187 1.00 0.00 O ATOM 199 CB MET A 15 1.662 -1.666 5.509 1.00 0.00 C ATOM 200 CG MET A 15 0.445 -2.561 5.266 1.00 0.00 C ATOM 201 SD MET A 15 0.537 -3.287 3.638 1.00 0.00 S ATOM 202 CE MET A 15 -0.281 -2.018 2.686 1.00 0.00 C ATOM 0 H MET A 15 0.914 -2.514 7.677 1.00 0.00 H new ATOM 0 HA MET A 15 3.068 -3.214 6.053 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.337 -0.701 5.897 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.172 -1.474 4.565 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.404 -3.346 6.021 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.471 -1.978 5.362 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.950 -2.481 1.961 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.857 -1.377 3.353 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.464 -1.420 2.161 1.00 0.00 H new ATOM 212 N HIS A 16 3.507 -0.495 7.809 1.00 0.00 N ATOM 213 CA HIS A 16 4.490 0.490 8.226 1.00 0.00 C ATOM 214 C HIS A 16 5.761 -0.220 8.695 1.00 0.00 C ATOM 215 O HIS A 16 6.831 0.384 8.746 1.00 0.00 O ATOM 216 CB HIS A 16 3.906 1.425 9.287 1.00 0.00 C ATOM 217 CG HIS A 16 3.310 2.694 8.727 1.00 0.00 C ATOM 218 ND1 HIS A 16 2.119 3.308 8.984 1.00 0.00 N flip ATOM 219 CD2 HIS A 16 3.958 3.475 7.787 1.00 0.00 C flip ATOM 220 CE1 HIS A 16 2.045 4.406 8.242 1.00 0.00 C flip ATOM 221 NE2 HIS A 16 3.183 4.511 7.499 1.00 0.00 N flip ATOM 0 H HIS A 16 2.632 -0.472 8.333 1.00 0.00 H new ATOM 0 HA HIS A 16 4.760 1.121 7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.137 0.890 9.844 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.690 1.687 9.997 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.930 3.275 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.219 5.102 8.229 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.400 5.256 6.837 1.00 0.00 H new ATOM 229 N ASP A 17 5.601 -1.493 9.028 1.00 0.00 N ATOM 230 CA ASP A 17 6.722 -2.292 9.492 1.00 0.00 C ATOM 231 C ASP A 17 7.393 -2.966 8.293 1.00 0.00 C ATOM 232 O ASP A 17 6.784 -3.103 7.233 1.00 0.00 O ATOM 233 CB ASP A 17 6.257 -3.388 10.452 1.00 0.00 C ATOM 234 CG ASP A 17 7.308 -3.850 11.463 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.414 -4.212 11.007 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.982 -3.830 12.670 1.00 0.00 O ATOM 0 H ASP A 17 4.712 -1.990 8.985 1.00 0.00 H new ATOM 0 HA ASP A 17 7.416 -1.630 10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.385 -3.027 10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.934 -4.249 9.867 1.00 0.00 H new ATOM 241 N THR A 18 8.637 -3.370 8.502 1.00 0.00 N ATOM 242 CA THR A 18 9.397 -4.027 7.452 1.00 0.00 C ATOM 243 C THR A 18 9.591 -5.509 7.781 1.00 0.00 C ATOM 244 O THR A 18 9.788 -6.327 6.884 1.00 0.00 O ATOM 245 CB THR A 18 10.712 -3.267 7.273 1.00 0.00 C ATOM 246 OG1 THR A 18 11.361 -3.942 6.199 1.00 0.00 O ATOM 247 CG2 THR A 18 11.662 -3.454 8.459 1.00 0.00 C ATOM 0 H THR A 18 9.138 -3.255 9.383 1.00 0.00 H new ATOM 0 HA THR A 18 8.861 -4.005 6.503 1.00 0.00 H new ATOM 0 HB THR A 18 10.502 -2.206 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.222 -3.512 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.580 -2.894 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.185 -3.089 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.898 -4.512 8.572 1.00 0.00 H new ATOM 255 N SER A 19 9.527 -5.809 9.070 1.00 0.00 N ATOM 256 CA SER A 19 9.693 -7.177 9.528 1.00 0.00 C ATOM 257 C SER A 19 8.464 -8.008 9.154 1.00 0.00 C ATOM 258 O SER A 19 8.525 -8.840 8.250 1.00 0.00 O ATOM 259 CB SER A 19 9.927 -7.227 11.040 1.00 0.00 C ATOM 260 OG SER A 19 11.268 -7.589 11.361 1.00 0.00 O ATOM 0 H SER A 19 9.362 -5.128 9.811 1.00 0.00 H new ATOM 0 HA SER A 19 10.571 -7.597 9.037 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.700 -6.253 11.474 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.240 -7.944 11.490 1.00 0.00 H new ATOM 0 HG SER A 19 11.378 -7.608 12.335 1.00 0.00 H new ATOM 266 N THR A 20 7.378 -7.753 9.867 1.00 0.00 N ATOM 267 CA THR A 20 6.136 -8.466 9.621 1.00 0.00 C ATOM 268 C THR A 20 5.287 -7.720 8.590 1.00 0.00 C ATOM 269 O THR A 20 4.319 -8.267 8.064 1.00 0.00 O ATOM 270 CB THR A 20 5.429 -8.662 10.964 1.00 0.00 C ATOM 271 OG1 THR A 20 5.267 -7.339 11.467 1.00 0.00 O ATOM 272 CG2 THR A 20 6.320 -9.348 12.001 1.00 0.00 C ATOM 0 H THR A 20 7.332 -7.062 10.616 1.00 0.00 H new ATOM 0 HA THR A 20 6.324 -9.449 9.190 1.00 0.00 H new ATOM 0 HB THR A 20 4.525 -9.253 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.815 -7.372 12.336 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.770 -9.462 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.618 -10.330 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.209 -8.741 12.176 1.00 0.00 H new ATOM 280 N GLY A 21 5.681 -6.481 8.332 1.00 0.00 N ATOM 281 CA GLY A 21 4.968 -5.654 7.374 1.00 0.00 C ATOM 282 C GLY A 21 5.343 -6.031 5.939 1.00 0.00 C ATOM 283 O GLY A 21 5.955 -7.072 5.706 1.00 0.00 O ATOM 0 H GLY A 21 6.485 -6.031 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.894 -5.771 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.200 -4.604 7.551 1.00 0.00 H new ATOM 287 N ILE A 22 4.959 -5.163 5.014 1.00 0.00 N ATOM 288 CA ILE A 22 5.247 -5.392 3.608 1.00 0.00 C ATOM 289 C ILE A 22 6.731 -5.128 3.346 1.00 0.00 C ATOM 290 O ILE A 22 7.473 -4.775 4.262 1.00 0.00 O ATOM 291 CB ILE A 22 4.310 -4.562 2.728 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.181 -5.178 1.333 1.00 0.00 C ATOM 293 CG2 ILE A 22 4.762 -3.102 2.670 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.727 -5.153 0.855 1.00 0.00 C ATOM 0 H ILE A 22 4.451 -4.301 5.211 1.00 0.00 H new ATOM 0 HA ILE A 22 5.057 -6.432 3.344 1.00 0.00 H new ATOM 0 HB ILE A 22 3.318 -4.574 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.808 -4.630 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.544 -6.206 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.079 -2.534 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.761 -2.681 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.769 -3.049 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.663 -5.596 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.107 -5.722 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.375 -4.122 0.816 1.00 0.00 H new ATOM 306 N ARG A 23 7.119 -5.309 2.093 1.00 0.00 N ATOM 307 CA ARG A 23 8.501 -5.094 1.699 1.00 0.00 C ATOM 308 C ARG A 23 8.575 -4.667 0.232 1.00 0.00 C ATOM 309 O ARG A 23 8.653 -5.509 -0.661 1.00 0.00 O ATOM 310 CB ARG A 23 9.333 -6.363 1.896 1.00 0.00 C ATOM 311 CG ARG A 23 9.423 -6.736 3.377 1.00 0.00 C ATOM 312 CD ARG A 23 10.722 -7.487 3.675 1.00 0.00 C ATOM 313 NE ARG A 23 10.520 -8.942 3.489 1.00 0.00 N ATOM 314 CZ ARG A 23 11.516 -9.828 3.361 1.00 0.00 C ATOM 315 NH1 ARG A 23 12.790 -9.415 3.399 1.00 0.00 N ATOM 316 NH2 ARG A 23 11.238 -11.129 3.196 1.00 0.00 N ATOM 0 H ARG A 23 6.501 -5.602 1.337 1.00 0.00 H new ATOM 0 HA ARG A 23 8.907 -4.304 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.886 -7.185 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.335 -6.211 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.372 -5.834 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.569 -7.355 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.515 -7.134 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.043 -7.284 4.697 1.00 0.00 H new ATOM 0 HE ARG A 23 9.562 -9.291 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.002 -8.425 3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.548 -10.090 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.268 -11.444 3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.996 -11.804 3.098 1.00 0.00 H new ATOM 330 N PRO A 24 8.547 -3.323 0.022 1.00 0.00 N ATOM 331 CA PRO A 24 8.610 -2.774 -1.321 1.00 0.00 C ATOM 332 C PRO A 24 10.029 -2.867 -1.886 1.00 0.00 C ATOM 333 O PRO A 24 10.974 -3.155 -1.154 1.00 0.00 O ATOM 334 CB PRO A 24 8.118 -1.342 -1.184 1.00 0.00 C ATOM 335 CG PRO A 24 8.240 -0.999 0.292 1.00 0.00 C ATOM 336 CD PRO A 24 8.455 -2.296 1.055 1.00 0.00 C ATOM 0 HA PRO A 24 7.994 -3.327 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.715 -0.664 -1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.086 -1.249 -1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.073 -0.316 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.340 -0.495 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.364 -2.256 1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.630 -2.495 1.739 1.00 0.00 H new ATOM 529 N THR A 37 8.388 0.344 -3.823 1.00 0.00 N ATOM 530 CA THR A 37 7.189 -0.099 -4.514 1.00 0.00 C ATOM 531 C THR A 37 7.039 -1.617 -4.402 1.00 0.00 C ATOM 532 O THR A 37 8.025 -2.349 -4.477 1.00 0.00 O ATOM 533 CB THR A 37 7.264 0.400 -5.958 1.00 0.00 C ATOM 534 OG1 THR A 37 8.607 0.127 -6.350 1.00 0.00 O ATOM 535 CG2 THR A 37 7.149 1.922 -6.060 1.00 0.00 C ATOM 0 HA THR A 37 6.292 0.319 -4.057 1.00 0.00 H new ATOM 0 HB THR A 37 6.470 -0.063 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.165 0.016 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.208 2.222 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.194 2.243 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.962 2.387 -5.503 1.00 0.00 H new ATOM 543 N PHE A 38 5.798 -2.045 -4.223 1.00 0.00 N ATOM 544 CA PHE A 38 5.506 -3.463 -4.100 1.00 0.00 C ATOM 545 C PHE A 38 4.491 -3.908 -5.155 1.00 0.00 C ATOM 546 O PHE A 38 3.531 -3.193 -5.438 1.00 0.00 O ATOM 547 CB PHE A 38 4.906 -3.677 -2.709 1.00 0.00 C ATOM 548 CG PHE A 38 3.672 -2.819 -2.425 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.434 -3.280 -2.748 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.812 -1.595 -1.850 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.288 -2.484 -2.485 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.667 -0.798 -1.587 1.00 0.00 C ATOM 553 CZ PHE A 38 1.429 -1.260 -1.910 1.00 0.00 C ATOM 0 H PHE A 38 4.983 -1.435 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 38 6.417 -4.044 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.639 -4.728 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.667 -3.460 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.322 -4.252 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.795 -1.229 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.305 -2.851 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.779 0.175 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.558 -0.654 -1.710 1.00 0.00 H new ATOM 563 N LEU A 39 4.737 -5.087 -5.707 1.00 0.00 N ATOM 564 CA LEU A 39 3.856 -5.635 -6.724 1.00 0.00 C ATOM 565 C LEU A 39 2.457 -5.821 -6.135 1.00 0.00 C ATOM 566 O LEU A 39 2.314 -6.139 -4.955 1.00 0.00 O ATOM 567 CB LEU A 39 4.450 -6.916 -7.314 1.00 0.00 C ATOM 568 CG LEU A 39 5.929 -6.853 -7.702 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.422 -8.211 -8.206 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.182 -5.738 -8.718 1.00 0.00 C ATOM 0 H LEU A 39 5.534 -5.678 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 39 3.761 -4.941 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.319 -7.721 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.874 -7.186 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 39 6.506 -6.612 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.476 -8.139 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.298 -8.957 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.844 -8.506 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.241 -5.715 -8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.593 -5.924 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.893 -4.780 -8.286 1.00 0.00 H new ATOM 582 N GLY A 40 1.460 -5.614 -6.982 1.00 0.00 N ATOM 583 CA GLY A 40 0.077 -5.755 -6.560 1.00 0.00 C ATOM 584 C GLY A 40 -0.147 -7.094 -5.855 1.00 0.00 C ATOM 585 O GLY A 40 -0.800 -7.149 -4.813 1.00 0.00 O ATOM 0 H GLY A 40 1.582 -5.349 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.187 -4.938 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.581 -5.681 -7.426 1.00 0.00 H new ATOM 589 N SER A 41 0.406 -8.140 -6.450 1.00 0.00 N ATOM 590 CA SER A 41 0.274 -9.475 -5.892 1.00 0.00 C ATOM 591 C SER A 41 0.960 -9.541 -4.526 1.00 0.00 C ATOM 592 O SER A 41 0.485 -10.226 -3.621 1.00 0.00 O ATOM 593 CB SER A 41 0.864 -10.526 -6.834 1.00 0.00 C ATOM 594 OG SER A 41 0.613 -11.853 -6.378 1.00 0.00 O ATOM 0 H SER A 41 0.947 -8.090 -7.313 1.00 0.00 H new ATOM 0 HA SER A 41 -0.787 -9.691 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.440 -10.399 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.939 -10.370 -6.923 1.00 0.00 H new ATOM 0 HG SER A 41 1.004 -12.495 -7.007 1.00 0.00 H new ATOM 600 N SER A 42 2.067 -8.820 -4.420 1.00 0.00 N ATOM 601 CA SER A 42 2.823 -8.788 -3.180 1.00 0.00 C ATOM 602 C SER A 42 1.927 -8.319 -2.032 1.00 0.00 C ATOM 603 O SER A 42 1.998 -8.853 -0.926 1.00 0.00 O ATOM 604 CB SER A 42 4.046 -7.878 -3.304 1.00 0.00 C ATOM 605 OG SER A 42 5.235 -8.515 -2.845 1.00 0.00 O ATOM 0 H SER A 42 2.458 -8.254 -5.173 1.00 0.00 H new ATOM 0 HA SER A 42 3.175 -9.798 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.173 -7.581 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.879 -6.966 -2.731 1.00 0.00 H new ATOM 0 HG SER A 42 5.993 -7.902 -2.942 1.00 0.00 H new ATOM 611 N LEU A 43 1.103 -7.326 -2.334 1.00 0.00 N ATOM 612 CA LEU A 43 0.194 -6.780 -1.342 1.00 0.00 C ATOM 613 C LEU A 43 -0.925 -7.788 -1.071 1.00 0.00 C ATOM 614 O LEU A 43 -1.149 -8.180 0.073 1.00 0.00 O ATOM 615 CB LEU A 43 -0.312 -5.403 -1.779 1.00 0.00 C ATOM 616 CG LEU A 43 -1.429 -4.797 -0.927 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.182 -5.051 0.562 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.606 -3.309 -1.233 1.00 0.00 C ATOM 0 H LEU A 43 1.046 -6.886 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 43 0.714 -6.619 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.531 -4.712 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.666 -5.478 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.364 -5.292 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.990 -4.610 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.145 -6.125 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.234 -4.599 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.406 -2.903 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.677 -2.780 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.861 -3.182 -2.285 1.00 0.00 H new ATOM 630 N VAL A 44 -1.598 -8.179 -2.143 1.00 0.00 N ATOM 631 CA VAL A 44 -2.688 -9.134 -2.036 1.00 0.00 C ATOM 632 C VAL A 44 -2.241 -10.316 -1.174 1.00 0.00 C ATOM 633 O VAL A 44 -2.837 -10.592 -0.134 1.00 0.00 O ATOM 634 CB VAL A 44 -3.155 -9.554 -3.431 1.00 0.00 C ATOM 635 CG1 VAL A 44 -4.185 -10.683 -3.348 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.713 -8.358 -4.205 1.00 0.00 C ATOM 0 H VAL A 44 -1.409 -7.852 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.548 -8.679 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.289 -9.931 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.500 -10.962 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.739 -11.547 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.050 -10.345 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.038 -8.684 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.561 -7.938 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.938 -7.599 -4.310 1.00 0.00 H new ATOM 646 N ASP A 45 -1.194 -10.984 -1.638 1.00 0.00 N ATOM 647 CA ASP A 45 -0.660 -12.130 -0.923 1.00 0.00 C ATOM 648 C ASP A 45 -0.383 -11.736 0.529 1.00 0.00 C ATOM 649 O ASP A 45 -0.691 -12.490 1.451 1.00 0.00 O ATOM 650 CB ASP A 45 0.655 -12.603 -1.544 1.00 0.00 C ATOM 651 CG ASP A 45 0.982 -14.081 -1.319 1.00 0.00 C ATOM 652 OD1 ASP A 45 1.295 -14.423 -0.158 1.00 0.00 O ATOM 653 OD2 ASP A 45 0.911 -14.836 -2.313 1.00 0.00 O ATOM 0 H ASP A 45 -0.702 -10.753 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.394 -12.934 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.622 -12.413 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.468 -12.001 -1.139 1.00 0.00 H new ATOM 658 N TRP A 46 0.197 -10.555 0.688 1.00 0.00 N ATOM 659 CA TRP A 46 0.520 -10.051 2.012 1.00 0.00 C ATOM 660 C TRP A 46 -0.772 -10.014 2.831 1.00 0.00 C ATOM 661 O TRP A 46 -0.918 -10.758 3.800 1.00 0.00 O ATOM 662 CB TRP A 46 1.213 -8.690 1.927 1.00 0.00 C ATOM 663 CG TRP A 46 1.656 -8.131 3.281 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.811 -8.348 3.924 1.00 0.00 C ATOM 665 CD2 TRP A 46 0.899 -7.249 4.136 1.00 0.00 C ATOM 666 NE1 TRP A 46 2.854 -7.673 5.127 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.654 -6.983 5.260 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.382 -6.694 3.965 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.215 -6.156 6.300 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.806 -5.870 5.014 1.00 0.00 C ATOM 671 CH2 TRP A 46 -0.058 -5.592 6.152 1.00 0.00 C ATOM 0 H TRP A 46 0.452 -9.932 -0.079 1.00 0.00 H new ATOM 0 HA TRP A 46 1.231 -10.708 2.512 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.085 -8.778 1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.536 -7.978 1.456 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.608 -8.972 3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.624 -7.679 5.796 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.990 -6.888 3.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.825 -5.963 7.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.784 -5.418 4.933 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.457 -4.944 6.918 1.00 0.00 H new ATOM 682 N LEU A 47 -1.676 -9.140 2.412 1.00 0.00 N ATOM 683 CA LEU A 47 -2.950 -8.996 3.095 1.00 0.00 C ATOM 684 C LEU A 47 -3.442 -10.374 3.544 1.00 0.00 C ATOM 685 O LEU A 47 -3.859 -10.546 4.689 1.00 0.00 O ATOM 686 CB LEU A 47 -3.949 -8.245 2.213 1.00 0.00 C ATOM 687 CG LEU A 47 -3.783 -6.725 2.158 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.366 -6.156 0.863 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.388 -6.062 3.398 1.00 0.00 C ATOM 0 H LEU A 47 -1.551 -8.525 1.608 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.834 -8.390 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.874 -8.636 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.956 -8.468 2.567 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.717 -6.498 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.235 -5.074 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.851 -6.595 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.428 -6.393 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.257 -4.982 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.451 -6.295 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.888 -6.436 4.291 1.00 0.00 H new ATOM 701 N ILE A 48 -3.376 -11.321 2.620 1.00 0.00 N ATOM 702 CA ILE A 48 -3.809 -12.678 2.906 1.00 0.00 C ATOM 703 C ILE A 48 -2.889 -13.290 3.964 1.00 0.00 C ATOM 704 O ILE A 48 -3.353 -13.741 5.009 1.00 0.00 O ATOM 705 CB ILE A 48 -3.894 -13.497 1.616 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.822 -12.826 0.601 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.311 -14.939 1.909 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.586 -13.379 -0.806 1.00 0.00 C ATOM 0 H ILE A 48 -3.029 -11.175 1.672 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.817 -12.677 3.322 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.901 -13.534 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.861 -12.988 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.654 -11.749 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.364 -15.499 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.578 -15.403 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.289 -14.944 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.258 -12.886 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.553 -13.194 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.779 -14.452 -0.812 1.00 0.00 H new ATOM 720 N SER A 49 -1.600 -13.286 3.655 1.00 0.00 N ATOM 721 CA SER A 49 -0.611 -13.835 4.566 1.00 0.00 C ATOM 722 C SER A 49 -0.757 -13.192 5.947 1.00 0.00 C ATOM 723 O SER A 49 -0.425 -13.807 6.959 1.00 0.00 O ATOM 724 CB SER A 49 0.807 -13.625 4.030 1.00 0.00 C ATOM 725 OG SER A 49 1.794 -13.823 5.040 1.00 0.00 O ATOM 0 H SER A 49 -1.218 -12.911 2.786 1.00 0.00 H new ATOM 0 HA SER A 49 -0.783 -14.908 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.989 -14.314 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.897 -12.616 3.628 1.00 0.00 H new ATOM 0 HG SER A 49 2.685 -13.681 4.658 1.00 0.00 H new ATOM 731 N SER A 50 -1.254 -11.964 5.943 1.00 0.00 N ATOM 732 CA SER A 50 -1.448 -11.232 7.183 1.00 0.00 C ATOM 733 C SER A 50 -2.711 -11.725 7.890 1.00 0.00 C ATOM 734 O SER A 50 -2.918 -11.442 9.069 1.00 0.00 O ATOM 735 CB SER A 50 -1.538 -9.726 6.925 1.00 0.00 C ATOM 736 OG SER A 50 -0.281 -9.078 7.101 1.00 0.00 O ATOM 0 H SER A 50 -1.528 -11.458 5.101 1.00 0.00 H new ATOM 0 HA SER A 50 -0.586 -11.413 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.896 -9.553 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.271 -9.286 7.601 1.00 0.00 H new ATOM 0 HG SER A 50 -0.096 -8.507 6.326 1.00 0.00 H new ATOM 742 N ASN A 51 -3.524 -12.455 7.140 1.00 0.00 N ATOM 743 CA ASN A 51 -4.761 -12.991 7.681 1.00 0.00 C ATOM 744 C ASN A 51 -5.847 -11.915 7.621 1.00 0.00 C ATOM 745 O ASN A 51 -6.841 -11.990 8.342 1.00 0.00 O ATOM 746 CB ASN A 51 -4.589 -13.408 9.142 1.00 0.00 C ATOM 747 CG ASN A 51 -5.550 -14.542 9.506 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.427 -14.916 8.744 1.00 0.00 O ATOM 749 ND2 ASN A 51 -5.338 -15.066 10.710 1.00 0.00 N ATOM 0 H ASN A 51 -3.350 -12.688 6.162 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.038 -13.863 7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.561 -13.728 9.314 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.769 -12.552 9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.927 -15.828 11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.586 -14.706 11.298 1.00 0.00 H new ATOM 756 N PHE A 52 -5.621 -10.938 6.755 1.00 0.00 N ATOM 757 CA PHE A 52 -6.567 -9.848 6.592 1.00 0.00 C ATOM 758 C PHE A 52 -7.580 -10.162 5.489 1.00 0.00 C ATOM 759 O PHE A 52 -8.641 -9.544 5.422 1.00 0.00 O ATOM 760 CB PHE A 52 -5.760 -8.612 6.190 1.00 0.00 C ATOM 761 CG PHE A 52 -4.820 -8.100 7.283 1.00 0.00 C ATOM 762 CD1 PHE A 52 -5.162 -8.236 8.592 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.643 -7.508 6.945 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.290 -7.760 9.607 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.771 -7.033 7.960 1.00 0.00 C ATOM 766 CZ PHE A 52 -3.113 -7.169 9.269 1.00 0.00 C ATOM 0 H PHE A 52 -4.796 -10.879 6.159 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.117 -9.691 7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.174 -8.847 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.450 -7.814 5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.097 -8.706 8.860 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.372 -7.399 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.562 -7.867 10.647 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.836 -6.564 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.449 -6.807 10.041 1.00 0.00 H new ATOM 776 N ALA A 53 -7.217 -11.123 4.652 1.00 0.00 N ATOM 777 CA ALA A 53 -8.081 -11.526 3.555 1.00 0.00 C ATOM 778 C ALA A 53 -8.117 -13.054 3.475 1.00 0.00 C ATOM 779 O ALA A 53 -7.206 -13.725 3.957 1.00 0.00 O ATOM 780 CB ALA A 53 -7.590 -10.886 2.256 1.00 0.00 C ATOM 0 H ALA A 53 -6.336 -11.634 4.711 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.101 -11.180 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.238 -11.189 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.611 -9.801 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.570 -11.212 2.053 1.00 0.00 H new ATOM 786 N ALA A 54 -9.179 -13.558 2.864 1.00 0.00 N ATOM 787 CA ALA A 54 -9.345 -14.993 2.715 1.00 0.00 C ATOM 788 C ALA A 54 -8.875 -15.415 1.321 1.00 0.00 C ATOM 789 O ALA A 54 -8.311 -16.495 1.152 1.00 0.00 O ATOM 790 CB ALA A 54 -10.805 -15.368 2.976 1.00 0.00 C ATOM 0 H ALA A 54 -9.933 -12.998 2.466 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.736 -15.527 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.930 -16.445 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.081 -15.074 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.446 -14.852 2.261 1.00 0.00 H new ATOM 796 N SER A 55 -9.126 -14.540 0.358 1.00 0.00 N ATOM 797 CA SER A 55 -8.736 -14.808 -1.016 1.00 0.00 C ATOM 798 C SER A 55 -8.229 -13.524 -1.676 1.00 0.00 C ATOM 799 O SER A 55 -8.511 -12.425 -1.201 1.00 0.00 O ATOM 800 CB SER A 55 -9.902 -15.392 -1.816 1.00 0.00 C ATOM 801 OG SER A 55 -9.454 -16.155 -2.933 1.00 0.00 O ATOM 0 H SER A 55 -9.594 -13.645 0.502 1.00 0.00 H new ATOM 0 HA SER A 55 -7.933 -15.545 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.508 -16.023 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.544 -14.583 -2.164 1.00 0.00 H new ATOM 0 HG SER A 55 -10.228 -16.512 -3.417 1.00 0.00 H new ATOM 807 N ARG A 56 -7.491 -13.706 -2.761 1.00 0.00 N ATOM 808 CA ARG A 56 -6.943 -12.575 -3.492 1.00 0.00 C ATOM 809 C ARG A 56 -7.958 -11.432 -3.539 1.00 0.00 C ATOM 810 O ARG A 56 -7.585 -10.262 -3.465 1.00 0.00 O ATOM 811 CB ARG A 56 -6.566 -12.973 -4.920 1.00 0.00 C ATOM 812 CG ARG A 56 -5.199 -13.661 -4.955 1.00 0.00 C ATOM 813 CD ARG A 56 -5.352 -15.180 -5.055 1.00 0.00 C ATOM 814 NE ARG A 56 -5.024 -15.808 -3.755 1.00 0.00 N ATOM 815 CZ ARG A 56 -5.332 -17.072 -3.433 1.00 0.00 C ATOM 816 NH1 ARG A 56 -5.977 -17.850 -4.313 1.00 0.00 N ATOM 817 NH2 ARG A 56 -4.995 -17.558 -2.231 1.00 0.00 N ATOM 0 H ARG A 56 -7.259 -14.619 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.045 -12.246 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.324 -13.642 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.548 -12.088 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.624 -13.293 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.637 -13.407 -4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.372 -15.433 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.695 -15.570 -5.833 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.533 -15.244 -3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.234 -17.480 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.211 -18.812 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.504 -16.966 -1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.229 -18.520 -1.986 1.00 0.00 H new ATOM 831 N LEU A 57 -9.222 -11.810 -3.663 1.00 0.00 N ATOM 832 CA LEU A 57 -10.294 -10.831 -3.721 1.00 0.00 C ATOM 833 C LEU A 57 -10.269 -9.977 -2.452 1.00 0.00 C ATOM 834 O LEU A 57 -9.946 -8.792 -2.503 1.00 0.00 O ATOM 835 CB LEU A 57 -11.637 -11.520 -3.973 1.00 0.00 C ATOM 836 CG LEU A 57 -12.595 -10.796 -4.921 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.356 -9.688 -4.191 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.855 -10.269 -6.152 1.00 0.00 C ATOM 0 H LEU A 57 -9.528 -12.781 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.147 -10.155 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.443 -12.515 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.139 -11.655 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.334 -11.515 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.030 -9.189 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.934 -10.121 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.647 -8.963 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.559 -9.759 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.079 -9.570 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.398 -11.102 -6.686 1.00 0.00 H new ATOM 850 N GLU A 58 -10.615 -10.614 -1.342 1.00 0.00 N ATOM 851 CA GLU A 58 -10.636 -9.928 -0.062 1.00 0.00 C ATOM 852 C GLU A 58 -9.410 -9.024 0.077 1.00 0.00 C ATOM 853 O GLU A 58 -9.481 -7.966 0.700 1.00 0.00 O ATOM 854 CB GLU A 58 -10.714 -10.927 1.094 1.00 0.00 C ATOM 855 CG GLU A 58 -12.156 -11.380 1.332 1.00 0.00 C ATOM 856 CD GLU A 58 -12.212 -12.527 2.343 1.00 0.00 C ATOM 857 OE1 GLU A 58 -11.661 -12.336 3.449 1.00 0.00 O ATOM 858 OE2 GLU A 58 -12.803 -13.569 1.987 1.00 0.00 O ATOM 0 H GLU A 58 -10.883 -11.597 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.529 -9.304 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.089 -11.792 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.318 -10.470 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.749 -10.541 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.601 -11.700 0.389 1.00 0.00 H new ATOM 865 N ALA A 59 -8.313 -9.474 -0.515 1.00 0.00 N ATOM 866 CA ALA A 59 -7.073 -8.718 -0.465 1.00 0.00 C ATOM 867 C ALA A 59 -7.136 -7.574 -1.479 1.00 0.00 C ATOM 868 O ALA A 59 -6.760 -6.445 -1.170 1.00 0.00 O ATOM 869 CB ALA A 59 -5.892 -9.658 -0.720 1.00 0.00 C ATOM 0 H ALA A 59 -8.257 -10.352 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.932 -8.276 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.961 -9.092 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.874 -10.436 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.998 -10.117 -1.703 1.00 0.00 H new ATOM 875 N VAL A 60 -7.615 -7.907 -2.669 1.00 0.00 N ATOM 876 CA VAL A 60 -7.733 -6.921 -3.730 1.00 0.00 C ATOM 877 C VAL A 60 -8.519 -5.714 -3.215 1.00 0.00 C ATOM 878 O VAL A 60 -8.130 -4.570 -3.446 1.00 0.00 O ATOM 879 CB VAL A 60 -8.363 -7.560 -4.970 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.786 -6.492 -5.981 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.412 -8.574 -5.608 1.00 0.00 C ATOM 0 H VAL A 60 -7.926 -8.845 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.748 -6.563 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.258 -8.095 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.231 -6.972 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.516 -5.825 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.913 -5.917 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.884 -9.013 -6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.491 -8.073 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.182 -9.360 -4.889 1.00 0.00 H new ATOM 891 N THR A 61 -9.611 -6.010 -2.525 1.00 0.00 N ATOM 892 CA THR A 61 -10.455 -4.963 -1.974 1.00 0.00 C ATOM 893 C THR A 61 -9.750 -4.267 -0.809 1.00 0.00 C ATOM 894 O THR A 61 -9.783 -3.042 -0.701 1.00 0.00 O ATOM 895 CB THR A 61 -11.795 -5.592 -1.585 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.666 -5.244 -2.658 1.00 0.00 O ATOM 897 CG2 THR A 61 -12.423 -4.921 -0.362 1.00 0.00 C ATOM 0 H THR A 61 -9.931 -6.960 -2.335 1.00 0.00 H new ATOM 0 HA THR A 61 -10.647 -4.182 -2.710 1.00 0.00 H new ATOM 0 HB THR A 61 -11.653 -6.654 -1.383 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.558 -5.614 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.371 -5.405 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.749 -5.013 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.597 -3.866 -0.575 1.00 0.00 H new ATOM 905 N LEU A 62 -9.127 -5.078 0.034 1.00 0.00 N ATOM 906 CA LEU A 62 -8.415 -4.555 1.187 1.00 0.00 C ATOM 907 C LEU A 62 -7.317 -3.601 0.714 1.00 0.00 C ATOM 908 O LEU A 62 -7.047 -2.590 1.360 1.00 0.00 O ATOM 909 CB LEU A 62 -7.899 -5.699 2.063 1.00 0.00 C ATOM 910 CG LEU A 62 -8.737 -6.026 3.301 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.273 -7.458 3.237 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.943 -5.768 4.583 1.00 0.00 C ATOM 0 H LEU A 62 -9.101 -6.093 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.089 -3.978 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.828 -6.597 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.888 -5.454 2.387 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.600 -5.360 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.865 -7.665 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.898 -7.573 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.438 -8.157 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.561 -6.008 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.050 -6.393 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.651 -4.719 4.625 1.00 0.00 H new ATOM 924 N ALA A 63 -6.713 -3.956 -0.411 1.00 0.00 N ATOM 925 CA ALA A 63 -5.651 -3.144 -0.979 1.00 0.00 C ATOM 926 C ALA A 63 -6.236 -1.819 -1.474 1.00 0.00 C ATOM 927 O ALA A 63 -5.769 -0.748 -1.090 1.00 0.00 O ATOM 928 CB ALA A 63 -4.951 -3.924 -2.093 1.00 0.00 C ATOM 0 H ALA A 63 -6.939 -4.796 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.901 -2.911 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.154 -3.314 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.527 -4.841 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.672 -4.173 -2.871 1.00 0.00 H new ATOM 934 N SER A 64 -7.250 -1.936 -2.318 1.00 0.00 N ATOM 935 CA SER A 64 -7.904 -0.762 -2.870 1.00 0.00 C ATOM 936 C SER A 64 -8.441 0.118 -1.738 1.00 0.00 C ATOM 937 O SER A 64 -8.588 1.328 -1.905 1.00 0.00 O ATOM 938 CB SER A 64 -9.037 -1.156 -3.818 1.00 0.00 C ATOM 939 OG SER A 64 -10.297 -1.205 -3.154 1.00 0.00 O ATOM 0 H SER A 64 -7.635 -2.826 -2.633 1.00 0.00 H new ATOM 0 HA SER A 64 -7.168 -0.198 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.088 -0.441 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.820 -2.130 -4.257 1.00 0.00 H new ATOM 0 HG SER A 64 -10.226 -1.772 -2.358 1.00 0.00 H new ATOM 945 N MET A 65 -8.718 -0.524 -0.613 1.00 0.00 N ATOM 946 CA MET A 65 -9.235 0.184 0.545 1.00 0.00 C ATOM 947 C MET A 65 -8.159 1.078 1.166 1.00 0.00 C ATOM 948 O MET A 65 -8.444 2.200 1.581 1.00 0.00 O ATOM 949 CB MET A 65 -9.723 -0.826 1.586 1.00 0.00 C ATOM 950 CG MET A 65 -11.117 -1.348 1.231 1.00 0.00 C ATOM 951 SD MET A 65 -12.224 -1.119 2.612 1.00 0.00 S ATOM 952 CE MET A 65 -11.737 -2.500 3.632 1.00 0.00 C ATOM 0 H MET A 65 -8.594 -1.528 -0.479 1.00 0.00 H new ATOM 0 HA MET A 65 -10.063 0.815 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.023 -1.659 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.746 -0.358 2.570 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.500 -0.822 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.063 -2.405 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.593 -3.156 3.790 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.941 -3.056 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.379 -2.133 4.594 1.00 0.00 H new ATOM 962 N LEU A 66 -6.947 0.546 1.211 1.00 0.00 N ATOM 963 CA LEU A 66 -5.827 1.281 1.775 1.00 0.00 C ATOM 964 C LEU A 66 -5.547 2.515 0.913 1.00 0.00 C ATOM 965 O LEU A 66 -5.364 3.613 1.436 1.00 0.00 O ATOM 966 CB LEU A 66 -4.616 0.364 1.947 1.00 0.00 C ATOM 967 CG LEU A 66 -4.812 -0.839 2.872 1.00 0.00 C ATOM 968 CD1 LEU A 66 -3.858 -1.977 2.501 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.674 -0.431 4.340 1.00 0.00 C ATOM 0 H LEU A 66 -6.715 -0.386 0.866 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.071 1.638 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.320 -0.003 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.786 0.959 2.328 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.827 -1.212 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.018 -2.820 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.048 -2.291 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.828 -1.632 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.818 -1.305 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.680 -0.018 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.426 0.321 4.581 1.00 0.00 H new ATOM 981 N MET A 67 -5.524 2.292 -0.393 1.00 0.00 N ATOM 982 CA MET A 67 -5.269 3.371 -1.332 1.00 0.00 C ATOM 983 C MET A 67 -6.243 4.530 -1.112 1.00 0.00 C ATOM 984 O MET A 67 -5.856 5.695 -1.194 1.00 0.00 O ATOM 985 CB MET A 67 -5.412 2.848 -2.762 1.00 0.00 C ATOM 986 CG MET A 67 -4.135 2.139 -3.217 1.00 0.00 C ATOM 987 SD MET A 67 -3.897 2.375 -4.971 1.00 0.00 S ATOM 988 CE MET A 67 -5.505 1.881 -5.570 1.00 0.00 C ATOM 0 H MET A 67 -5.678 1.380 -0.823 1.00 0.00 H new ATOM 0 HA MET A 67 -4.255 3.737 -1.170 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.255 2.159 -2.818 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.632 3.676 -3.436 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.277 2.530 -2.669 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.200 1.075 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.426 1.574 -6.613 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.875 1.047 -4.974 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.197 2.720 -5.490 1.00 0.00 H new ATOM 998 N GLU A 68 -7.488 4.170 -0.837 1.00 0.00 N ATOM 999 CA GLU A 68 -8.521 5.166 -0.605 1.00 0.00 C ATOM 1000 C GLU A 68 -8.232 5.940 0.683 1.00 0.00 C ATOM 1001 O GLU A 68 -8.322 7.166 0.708 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.906 4.518 -0.557 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.632 4.675 -1.894 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.891 5.530 -1.738 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.713 5.175 -0.866 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -12.003 6.519 -2.494 1.00 0.00 O ATOM 0 H GLU A 68 -7.805 3.203 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.514 5.870 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.808 3.460 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.497 4.974 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.964 5.135 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.901 3.693 -2.283 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.891 5.191 1.722 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.589 5.791 3.010 1.00 0.00 C ATOM 1015 C GLU A 69 -6.401 6.748 2.884 1.00 0.00 C ATOM 1016 O GLU A 69 -6.126 7.524 3.797 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.318 4.717 4.065 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.620 4.254 4.723 1.00 0.00 C ATOM 1019 CD GLU A 69 -8.780 4.870 6.115 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -7.838 4.707 6.919 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -9.842 5.490 6.342 1.00 0.00 O ATOM 0 H GLU A 69 -7.817 4.174 1.698 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.458 6.362 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.817 3.866 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.642 5.110 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.468 4.535 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.626 3.167 4.800 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.730 6.660 1.745 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.578 7.508 1.489 1.00 0.00 C ATOM 1030 C ASN A 70 -3.327 6.853 2.077 1.00 0.00 C ATOM 1031 O ASN A 70 -2.412 7.544 2.524 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.747 8.880 2.144 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.118 9.979 1.286 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -3.109 9.787 0.628 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -4.769 11.138 1.329 1.00 0.00 N ATOM 0 H ASN A 70 -5.962 6.015 0.990 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.485 7.633 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.807 9.089 2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.285 8.875 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.429 11.934 0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.608 11.231 1.901 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.326 5.528 2.058 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.202 4.773 2.584 1.00 0.00 C ATOM 1044 C PHE A 71 -1.281 4.302 1.456 1.00 0.00 C ATOM 1045 O PHE A 71 -0.072 4.180 1.647 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.780 3.550 3.298 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.499 3.876 4.609 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -2.925 4.723 5.506 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.710 3.320 4.877 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.592 5.026 6.722 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.377 3.623 6.094 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.804 4.470 6.991 1.00 0.00 C ATOM 0 H PHE A 71 -4.086 4.958 1.686 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.616 5.399 3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.478 3.047 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.973 2.847 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.963 5.164 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.165 2.648 4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.137 5.698 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.339 3.181 6.307 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.311 4.701 7.916 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.889 4.051 0.306 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.139 3.597 -0.853 1.00 0.00 C ATOM 1064 C LEU A 72 -1.681 4.284 -2.108 1.00 0.00 C ATOM 1065 O LEU A 72 -2.707 4.960 -2.055 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.153 2.069 -0.934 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.240 1.363 -0.121 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.906 0.256 -0.940 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.681 0.840 1.203 1.00 0.00 C ATOM 0 H LEU A 72 -2.892 4.153 0.152 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.090 3.880 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.265 1.782 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.182 1.699 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.013 2.092 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.674 -0.229 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.361 0.687 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.157 -0.479 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.474 0.343 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.878 0.131 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.293 1.673 1.788 1.00 0.00 H new ATOM 1081 N ARG A 73 -0.967 4.088 -3.206 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.363 4.681 -4.472 1.00 0.00 C ATOM 1083 C ARG A 73 -0.832 3.845 -5.639 1.00 0.00 C ATOM 1084 O ARG A 73 0.180 3.160 -5.506 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.838 6.112 -4.598 1.00 0.00 C ATOM 1086 CG ARG A 73 0.664 6.173 -4.312 1.00 0.00 C ATOM 1087 CD ARG A 73 0.932 6.679 -2.893 1.00 0.00 C ATOM 1088 NE ARG A 73 2.218 7.409 -2.851 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.445 8.570 -3.480 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.472 9.141 -4.204 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.644 9.161 -3.385 1.00 0.00 N ATOM 0 H ARG A 73 -0.116 3.527 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.452 4.702 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.036 6.489 -5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.371 6.761 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.102 5.183 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.149 6.830 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.122 7.334 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.958 5.840 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 73 2.980 7.003 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.559 8.692 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.644 10.025 -4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.384 8.727 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.816 10.045 -3.864 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.559 3.932 -6.785 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.172 3.193 -7.975 1.00 0.00 C ATOM 1107 C PRO A 74 0.039 3.838 -8.652 1.00 0.00 C ATOM 1108 O PRO A 74 0.174 5.061 -8.656 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.411 3.186 -8.855 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.294 4.310 -8.339 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.763 4.734 -6.979 1.00 0.00 C ATOM 0 HA PRO A 74 -0.853 2.175 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.148 3.344 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.926 2.227 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.284 5.152 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.328 3.976 -8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.537 5.800 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.494 4.547 -6.193 1.00 0.00 H new ATOM 1361 N PHE A 92 -7.917 -2.148 -8.428 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.651 -2.749 -8.042 1.00 0.00 C ATOM 1363 C PHE A 92 -6.540 -4.181 -8.569 1.00 0.00 C ATOM 1364 O PHE A 92 -7.402 -5.015 -8.297 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.618 -2.777 -6.512 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.275 -3.219 -5.928 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.927 -4.534 -5.942 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.429 -2.298 -5.394 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.680 -4.945 -5.399 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.183 -2.708 -4.851 1.00 0.00 C ATOM 1371 CZ PHE A 92 -2.835 -4.023 -4.865 1.00 0.00 C ATOM 0 HA PHE A 92 -5.824 -2.173 -8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.857 -1.783 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.398 -3.449 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.599 -5.266 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.705 -1.254 -5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.403 -5.989 -5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.512 -1.976 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.887 -4.335 -4.452 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.472 -4.421 -9.315 1.00 0.00 N ATOM 1382 CA LEU A 93 -5.236 -5.738 -9.883 1.00 0.00 C ATOM 1383 C LEU A 93 -4.390 -6.564 -8.912 1.00 0.00 C ATOM 1384 O LEU A 93 -3.791 -6.018 -7.986 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.627 -5.617 -11.281 1.00 0.00 C ATOM 1386 CG LEU A 93 -5.540 -5.037 -12.363 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -6.511 -4.014 -11.770 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -4.721 -4.450 -13.515 1.00 0.00 C ATOM 0 H LEU A 93 -4.760 -3.726 -9.540 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.178 -6.270 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.735 -4.994 -11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.301 -6.607 -11.601 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.140 -5.848 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.149 -3.617 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.129 -4.496 -11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.948 -3.199 -11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.394 -4.045 -14.270 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.079 -3.655 -13.137 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.106 -5.232 -13.960 1.00 0.00 H new ATOM 1400 N ASP A 94 -4.367 -7.866 -9.157 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.604 -8.772 -8.316 1.00 0.00 C ATOM 1402 C ASP A 94 -2.606 -9.545 -9.181 1.00 0.00 C ATOM 1403 O ASP A 94 -2.799 -10.730 -9.449 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.519 -9.787 -7.628 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.806 -11.011 -7.048 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -3.115 -10.831 -6.023 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.970 -12.098 -7.644 1.00 0.00 O ATOM 0 H ASP A 94 -4.865 -8.315 -9.926 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.091 -8.178 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.056 -9.283 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.265 -10.126 -8.346 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.561 -8.842 -9.594 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.533 -9.448 -10.423 1.00 0.00 C ATOM 1414 C ASP A 95 0.841 -8.957 -9.963 1.00 0.00 C ATOM 1415 O ASP A 95 0.960 -8.328 -8.913 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.708 -9.055 -11.891 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.928 -10.226 -12.852 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -1.915 -10.961 -12.633 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -0.104 -10.359 -13.783 1.00 0.00 O ATOM 0 H ASP A 95 -1.404 -7.859 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.616 -10.531 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.556 -8.375 -11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.175 -8.502 -12.211 1.00 0.00 H new ATOM 1424 N SER A 96 1.845 -9.264 -10.772 1.00 0.00 N ATOM 1425 CA SER A 96 3.206 -8.862 -10.461 1.00 0.00 C ATOM 1426 C SER A 96 3.494 -7.483 -11.058 1.00 0.00 C ATOM 1427 O SER A 96 4.090 -6.631 -10.401 1.00 0.00 O ATOM 1428 CB SER A 96 4.216 -9.887 -10.981 1.00 0.00 C ATOM 1429 OG SER A 96 3.917 -11.206 -10.532 1.00 0.00 O ATOM 0 H SER A 96 1.743 -9.786 -11.642 1.00 0.00 H new ATOM 0 HA SER A 96 3.308 -8.810 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.223 -9.868 -12.071 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.217 -9.610 -10.650 1.00 0.00 H new ATOM 0 HG SER A 96 4.583 -11.831 -10.886 1.00 0.00 H new ATOM 1435 N THR A 97 3.058 -7.307 -12.296 1.00 0.00 N ATOM 1436 CA THR A 97 3.261 -6.047 -12.989 1.00 0.00 C ATOM 1437 C THR A 97 2.737 -4.883 -12.146 1.00 0.00 C ATOM 1438 O THR A 97 3.493 -3.982 -11.787 1.00 0.00 O ATOM 1439 CB THR A 97 2.596 -6.149 -14.363 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.334 -6.755 -14.093 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.300 -7.149 -15.282 1.00 0.00 C ATOM 0 H THR A 97 2.565 -8.017 -12.837 1.00 0.00 H new ATOM 0 HA THR A 97 4.322 -5.846 -13.140 1.00 0.00 H new ATOM 0 HB THR A 97 2.587 -5.167 -14.835 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.835 -6.858 -14.930 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.788 -7.182 -16.244 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.334 -6.839 -15.432 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.280 -8.139 -14.826 1.00 0.00 H new ATOM 1449 N ALA A 98 1.446 -4.941 -11.853 1.00 0.00 N ATOM 1450 CA ALA A 98 0.811 -3.904 -11.058 1.00 0.00 C ATOM 1451 C ALA A 98 1.710 -3.555 -9.870 1.00 0.00 C ATOM 1452 O ALA A 98 2.211 -4.445 -9.184 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.578 -4.373 -10.620 1.00 0.00 C ATOM 0 H ALA A 98 0.822 -5.691 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 98 0.677 -2.997 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.054 -3.594 -10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.187 -4.579 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.484 -5.281 -10.024 1.00 0.00 H new ATOM 1459 N LEU A 99 1.888 -2.259 -9.664 1.00 0.00 N ATOM 1460 CA LEU A 99 2.719 -1.782 -8.571 1.00 0.00 C ATOM 1461 C LEU A 99 1.919 -0.792 -7.723 1.00 0.00 C ATOM 1462 O LEU A 99 0.859 -0.326 -8.140 1.00 0.00 O ATOM 1463 CB LEU A 99 4.034 -1.211 -9.106 1.00 0.00 C ATOM 1464 CG LEU A 99 5.175 -2.214 -9.288 1.00 0.00 C ATOM 1465 CD1 LEU A 99 6.012 -1.873 -10.523 1.00 0.00 C ATOM 1466 CD2 LEU A 99 6.031 -2.306 -8.023 1.00 0.00 C ATOM 0 H LEU A 99 1.471 -1.524 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 99 3.000 -2.608 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.837 -0.737 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.370 -0.428 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 99 4.741 -3.200 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.816 -2.601 -10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.379 -1.899 -11.410 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.438 -0.876 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.835 -3.026 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.458 -1.328 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.411 -2.630 -7.187 1.00 0.00 H new ATOM 1478 N TYR A 100 2.456 -0.499 -6.548 1.00 0.00 N ATOM 1479 CA TYR A 100 1.805 0.428 -5.637 1.00 0.00 C ATOM 1480 C TYR A 100 2.790 0.950 -4.590 1.00 0.00 C ATOM 1481 O TYR A 100 3.711 0.240 -4.189 1.00 0.00 O ATOM 1482 CB TYR A 100 0.708 -0.373 -4.933 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.496 -0.693 -5.822 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.544 0.200 -5.912 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.534 -1.876 -6.532 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.677 -0.101 -6.749 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.667 -2.177 -7.369 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.682 -1.275 -7.435 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.752 -1.560 -8.225 1.00 0.00 O ATOM 0 H TYR A 100 3.335 -0.887 -6.205 1.00 0.00 H new ATOM 0 HA TYR A 100 1.412 1.288 -6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.133 -1.307 -4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.366 0.186 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.515 1.125 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.285 -2.576 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.503 0.590 -6.830 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.709 -3.098 -7.931 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.524 -2.296 -8.831 1.00 0.00 H new ATOM 1499 N THR A 101 2.564 2.189 -4.176 1.00 0.00 N ATOM 1500 CA THR A 101 3.420 2.814 -3.183 1.00 0.00 C ATOM 1501 C THR A 101 2.576 3.471 -2.089 1.00 0.00 C ATOM 1502 O THR A 101 1.378 3.685 -2.268 1.00 0.00 O ATOM 1503 CB THR A 101 4.345 3.794 -3.907 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.318 4.143 -2.925 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.654 5.120 -4.234 1.00 0.00 C ATOM 0 H THR A 101 1.800 2.776 -4.511 1.00 0.00 H new ATOM 0 HA THR A 101 4.039 2.076 -2.673 1.00 0.00 H new ATOM 0 HB THR A 101 4.708 3.337 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.960 4.775 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.355 5.779 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.794 4.933 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.320 5.594 -3.311 1.00 0.00 H new ATOM 1513 N PHE A 102 3.234 3.772 -0.979 1.00 0.00 N ATOM 1514 CA PHE A 102 2.559 4.400 0.144 1.00 0.00 C ATOM 1515 C PHE A 102 2.291 5.880 -0.135 1.00 0.00 C ATOM 1516 O PHE A 102 3.159 6.587 -0.645 1.00 0.00 O ATOM 1517 CB PHE A 102 3.493 4.282 1.350 1.00 0.00 C ATOM 1518 CG PHE A 102 3.551 2.878 1.957 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.411 2.152 2.101 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.744 2.357 2.352 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.465 0.849 2.664 1.00 0.00 C ATOM 1522 CE2 PHE A 102 4.798 1.055 2.916 1.00 0.00 C ATOM 1523 CZ PHE A 102 3.657 0.328 3.059 1.00 0.00 C ATOM 0 H PHE A 102 4.227 3.593 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 102 1.601 3.912 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.498 4.578 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.170 4.985 2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.464 2.566 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.650 2.934 2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.559 0.272 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.745 0.642 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.698 -0.663 3.486 1.00 0.00 H new ATOM 1533 N ALA A 103 1.085 6.306 0.211 1.00 0.00 N ATOM 1534 CA ALA A 103 0.692 7.689 0.005 1.00 0.00 C ATOM 1535 C ALA A 103 1.315 8.561 1.097 1.00 0.00 C ATOM 1536 O ALA A 103 1.184 8.263 2.283 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.835 7.788 -0.020 1.00 0.00 C ATOM 0 H ALA A 103 0.367 5.717 0.633 1.00 0.00 H new ATOM 0 HA ALA A 103 1.058 8.052 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.130 8.826 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.226 7.175 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.238 7.434 0.929 1.00 0.00 H new