USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 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 : no HE2:sc= 0.0685 X(o=0.069,f=-0.34) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -172:sc= -3.31! (180deg=-3.36!) USER MOD Single : A 16 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-0.77) 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= 0.00664 USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.79 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0192 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 172:sc= 0.918 USER MOD Single : A 51 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.7!) 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 -47:sc= 0.186 USER MOD Single : A 65 MET CE :methyl -122:sc= 0 (180deg=-2.36!) USER MOD Single : A 67 MET CE :methyl -155:sc= -0.132 (180deg=-1.29) USER MOD Single : A 70 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 100 TYR OH : rot 130:sc= -1.26 USER MOD Single : A 101 THR OG1 : rot -116:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -7.927 -0.913 8.571 1.00 0.00 N ATOM 67 CA LEU A 8 -6.953 -0.522 7.567 1.00 0.00 C ATOM 68 C LEU A 8 -5.748 0.123 8.255 1.00 0.00 C ATOM 69 O LEU A 8 -4.668 0.207 7.672 1.00 0.00 O ATOM 70 CB LEU A 8 -7.604 0.368 6.506 1.00 0.00 C ATOM 71 CG LEU A 8 -8.768 -0.254 5.731 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.439 0.781 4.826 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.310 -1.488 4.951 1.00 0.00 C ATOM 0 HA LEU A 8 -6.585 -1.398 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.961 1.276 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.837 0.668 5.792 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.517 -0.587 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.263 0.313 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.822 1.601 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.711 1.167 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.156 -1.911 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.532 -1.203 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.915 -2.231 5.644 1.00 0.00 H new ATOM 85 N HIS A 9 -5.973 0.561 9.485 1.00 0.00 N ATOM 86 CA HIS A 9 -4.920 1.195 10.258 1.00 0.00 C ATOM 87 C HIS A 9 -3.906 0.141 10.707 1.00 0.00 C ATOM 88 O HIS A 9 -2.706 0.295 10.487 1.00 0.00 O ATOM 89 CB HIS A 9 -5.507 1.989 11.427 1.00 0.00 C ATOM 90 CG HIS A 9 -4.792 3.289 11.707 1.00 0.00 C ATOM 91 ND1 HIS A 9 -3.517 3.344 12.243 1.00 0.00 N ATOM 92 CD2 HIS A 9 -5.186 4.581 11.519 1.00 0.00 C ATOM 93 CE1 HIS A 9 -3.170 4.616 12.369 1.00 0.00 C ATOM 94 NE2 HIS A 9 -4.206 5.382 11.920 1.00 0.00 N ATOM 0 H HIS A 9 -6.870 0.489 9.965 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.390 1.915 9.635 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.556 2.201 11.219 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.479 1.370 12.324 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -2.942 2.541 12.498 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.135 4.899 11.113 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.232 4.983 12.759 1.00 0.00 H new ATOM 102 N ARG A 10 -4.427 -0.908 11.327 1.00 0.00 N ATOM 103 CA ARG A 10 -3.583 -1.988 11.808 1.00 0.00 C ATOM 104 C ARG A 10 -2.866 -2.664 10.638 1.00 0.00 C ATOM 105 O ARG A 10 -1.765 -3.188 10.798 1.00 0.00 O ATOM 106 CB ARG A 10 -4.404 -3.033 12.566 1.00 0.00 C ATOM 107 CG ARG A 10 -5.312 -3.813 11.613 1.00 0.00 C ATOM 108 CD ARG A 10 -4.788 -5.235 11.399 1.00 0.00 C ATOM 109 NE ARG A 10 -5.746 -6.216 11.956 1.00 0.00 N ATOM 110 CZ ARG A 10 -5.738 -6.633 13.229 1.00 0.00 C ATOM 111 NH1 ARG A 10 -4.823 -6.157 14.085 1.00 0.00 N ATOM 112 NH2 ARG A 10 -6.645 -7.527 13.648 1.00 0.00 N ATOM 0 H ARG A 10 -5.423 -1.033 11.507 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.848 -1.556 12.488 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.735 -3.722 13.082 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.008 -2.543 13.330 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.323 -3.851 12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.371 -3.295 10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.641 -5.421 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.816 -5.350 11.880 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.456 -6.598 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.132 -5.477 13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.817 -6.475 15.054 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.342 -7.890 12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.638 -7.844 14.617 1.00 0.00 H new ATOM 126 N ILE A 11 -3.520 -2.630 9.486 1.00 0.00 N ATOM 127 CA ILE A 11 -2.959 -3.232 8.288 1.00 0.00 C ATOM 128 C ILE A 11 -1.818 -2.355 7.768 1.00 0.00 C ATOM 129 O ILE A 11 -0.722 -2.848 7.506 1.00 0.00 O ATOM 130 CB ILE A 11 -4.056 -3.491 7.254 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.036 -4.556 7.750 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.454 -3.855 5.896 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.297 -4.588 6.883 1.00 0.00 C ATOM 0 H ILE A 11 -4.433 -2.195 9.357 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.532 -4.209 8.517 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.623 -2.570 7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.555 -5.534 7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.308 -4.351 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.255 -4.034 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.828 -3.035 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.849 -4.756 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.977 -5.354 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.789 -3.616 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.024 -4.817 5.853 1.00 0.00 H new ATOM 145 N VAL A 12 -2.115 -1.071 7.634 1.00 0.00 N ATOM 146 CA VAL A 12 -1.129 -0.121 7.150 1.00 0.00 C ATOM 147 C VAL A 12 0.107 -0.172 8.050 1.00 0.00 C ATOM 148 O VAL A 12 1.235 -0.223 7.561 1.00 0.00 O ATOM 149 CB VAL A 12 -1.746 1.276 7.061 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.695 2.317 6.673 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.923 1.294 6.082 1.00 0.00 C ATOM 0 H VAL A 12 -3.025 -0.666 7.852 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.809 -0.384 6.142 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.127 1.537 8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.161 3.301 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.096 2.332 7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.270 2.061 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.344 2.299 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.576 1.001 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.688 0.595 6.420 1.00 0.00 H new ATOM 161 N ASP A 13 -0.147 -0.156 9.351 1.00 0.00 N ATOM 162 CA ASP A 13 0.931 -0.200 10.324 1.00 0.00 C ATOM 163 C ASP A 13 1.843 -1.389 10.016 1.00 0.00 C ATOM 164 O ASP A 13 3.064 -1.246 9.980 1.00 0.00 O ATOM 165 CB ASP A 13 0.385 -0.377 11.743 1.00 0.00 C ATOM 166 CG ASP A 13 -0.060 0.915 12.430 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.826 1.761 12.677 1.00 0.00 O ATOM 168 OD2 ASP A 13 -1.277 1.028 12.694 1.00 0.00 O ATOM 0 H ASP A 13 -1.083 -0.113 9.753 1.00 0.00 H new ATOM 0 HA ASP A 13 1.479 0.740 10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.462 -1.062 11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.153 -0.851 12.355 1.00 0.00 H new ATOM 173 N LYS A 14 1.214 -2.536 9.802 1.00 0.00 N ATOM 174 CA LYS A 14 1.954 -3.749 9.499 1.00 0.00 C ATOM 175 C LYS A 14 2.759 -3.543 8.214 1.00 0.00 C ATOM 176 O LYS A 14 3.919 -3.941 8.134 1.00 0.00 O ATOM 177 CB LYS A 14 1.010 -4.952 9.447 1.00 0.00 C ATOM 178 CG LYS A 14 1.497 -6.071 10.371 1.00 0.00 C ATOM 179 CD LYS A 14 0.331 -6.688 11.145 1.00 0.00 C ATOM 180 CE LYS A 14 0.832 -7.453 12.372 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.229 -7.536 13.400 1.00 0.00 N ATOM 0 H LYS A 14 0.201 -2.650 9.833 1.00 0.00 H new ATOM 0 HA LYS A 14 2.669 -3.967 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.006 -4.644 9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.944 -5.323 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.996 -6.841 9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.234 -5.676 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.359 -5.904 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.226 -7.362 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.143 -8.456 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.709 -6.955 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.128 -8.058 14.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.507 -6.577 13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.055 -8.032 13.007 1.00 0.00 H new ATOM 195 N MET A 15 2.110 -2.920 7.241 1.00 0.00 N ATOM 196 CA MET A 15 2.751 -2.655 5.964 1.00 0.00 C ATOM 197 C MET A 15 3.875 -1.629 6.117 1.00 0.00 C ATOM 198 O MET A 15 4.822 -1.619 5.332 1.00 0.00 O ATOM 199 CB MET A 15 1.713 -2.132 4.970 1.00 0.00 C ATOM 200 CG MET A 15 0.553 -3.118 4.818 1.00 0.00 C ATOM 201 SD MET A 15 -0.920 -2.253 4.301 1.00 0.00 S ATOM 202 CE MET A 15 -0.599 -2.111 2.551 1.00 0.00 C ATOM 0 H MET A 15 1.147 -2.591 7.311 1.00 0.00 H new ATOM 0 HA MET A 15 3.182 -3.586 5.595 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.333 -1.168 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.184 -1.967 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.810 -3.885 4.087 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.372 -3.628 5.764 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.353 -1.470 2.094 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.389 -1.676 2.396 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.636 -3.099 2.093 1.00 0.00 H new ATOM 212 N HIS A 16 3.733 -0.790 7.132 1.00 0.00 N ATOM 213 CA HIS A 16 4.725 0.238 7.398 1.00 0.00 C ATOM 214 C HIS A 16 6.047 -0.416 7.803 1.00 0.00 C ATOM 215 O HIS A 16 7.083 0.245 7.847 1.00 0.00 O ATOM 216 CB HIS A 16 4.211 1.232 8.442 1.00 0.00 C ATOM 217 CG HIS A 16 3.502 2.429 7.855 1.00 0.00 C ATOM 218 ND1 HIS A 16 3.748 3.725 8.272 1.00 0.00 N ATOM 219 CD2 HIS A 16 2.553 2.512 6.878 1.00 0.00 C ATOM 220 CE1 HIS A 16 2.976 4.543 7.572 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.236 3.789 6.709 1.00 0.00 N ATOM 0 H HIS A 16 2.946 -0.801 7.780 1.00 0.00 H new ATOM 0 HA HIS A 16 4.908 0.814 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.529 0.714 9.117 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.052 1.579 9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.131 1.679 6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.939 5.618 7.668 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.552 4.148 6.043 1.00 0.00 H new ATOM 229 N ASP A 17 5.968 -1.708 8.087 1.00 0.00 N ATOM 230 CA ASP A 17 7.146 -2.459 8.487 1.00 0.00 C ATOM 231 C ASP A 17 7.736 -3.163 7.263 1.00 0.00 C ATOM 232 O ASP A 17 7.093 -3.241 6.217 1.00 0.00 O ATOM 233 CB ASP A 17 6.792 -3.528 9.522 1.00 0.00 C ATOM 234 CG ASP A 17 7.959 -3.996 10.394 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.713 -4.869 9.913 1.00 0.00 O ATOM 236 OD2 ASP A 17 8.072 -3.469 11.522 1.00 0.00 O ATOM 0 H ASP A 17 5.107 -2.253 8.048 1.00 0.00 H new ATOM 0 HA ASP A 17 7.861 -1.760 8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.007 -3.139 10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.377 -4.392 9.003 1.00 0.00 H new ATOM 241 N THR A 18 8.953 -3.659 7.434 1.00 0.00 N ATOM 242 CA THR A 18 9.636 -4.353 6.357 1.00 0.00 C ATOM 243 C THR A 18 9.827 -5.830 6.711 1.00 0.00 C ATOM 244 O THR A 18 9.855 -6.685 5.827 1.00 0.00 O ATOM 245 CB THR A 18 10.951 -3.621 6.081 1.00 0.00 C ATOM 246 OG1 THR A 18 11.446 -4.233 4.893 1.00 0.00 O ATOM 247 CG2 THR A 18 12.022 -3.923 7.131 1.00 0.00 C ATOM 0 H THR A 18 9.483 -3.594 8.303 1.00 0.00 H new ATOM 0 HA THR A 18 9.043 -4.343 5.442 1.00 0.00 H new ATOM 0 HB THR A 18 10.768 -2.547 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.297 -3.817 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.934 -3.378 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.666 -3.613 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.230 -4.993 7.141 1.00 0.00 H new ATOM 255 N SER A 19 9.953 -6.084 8.005 1.00 0.00 N ATOM 256 CA SER A 19 10.140 -7.442 8.487 1.00 0.00 C ATOM 257 C SER A 19 8.882 -8.270 8.217 1.00 0.00 C ATOM 258 O SER A 19 8.897 -9.174 7.384 1.00 0.00 O ATOM 259 CB SER A 19 10.475 -7.456 9.979 1.00 0.00 C ATOM 260 OG SER A 19 11.642 -6.692 10.272 1.00 0.00 O ATOM 0 H SER A 19 9.929 -5.372 8.735 1.00 0.00 H new ATOM 0 HA SER A 19 10.980 -7.883 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.631 -7.060 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.623 -8.485 10.308 1.00 0.00 H new ATOM 0 HG SER A 19 11.821 -6.725 11.235 1.00 0.00 H new ATOM 266 N THR A 20 7.823 -7.932 8.939 1.00 0.00 N ATOM 267 CA THR A 20 6.560 -8.633 8.788 1.00 0.00 C ATOM 268 C THR A 20 5.599 -7.820 7.918 1.00 0.00 C ATOM 269 O THR A 20 4.444 -8.203 7.739 1.00 0.00 O ATOM 270 CB THR A 20 6.012 -8.927 10.186 1.00 0.00 C ATOM 271 OG1 THR A 20 5.890 -7.641 10.788 1.00 0.00 O ATOM 272 CG2 THR A 20 7.025 -9.657 11.070 1.00 0.00 C ATOM 0 H THR A 20 7.814 -7.182 9.630 1.00 0.00 H new ATOM 0 HA THR A 20 6.695 -9.582 8.269 1.00 0.00 H new ATOM 0 HB THR A 20 5.105 -9.526 10.102 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.539 -7.738 11.698 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.586 -9.841 12.051 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.293 -10.607 10.608 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.919 -9.043 11.182 1.00 0.00 H new ATOM 280 N GLY A 21 6.112 -6.714 7.400 1.00 0.00 N ATOM 281 CA GLY A 21 5.315 -5.844 6.553 1.00 0.00 C ATOM 282 C GLY A 21 5.682 -6.026 5.079 1.00 0.00 C ATOM 283 O GLY A 21 6.661 -6.698 4.758 1.00 0.00 O ATOM 0 H GLY A 21 7.071 -6.400 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.257 -6.061 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.470 -4.805 6.844 1.00 0.00 H new ATOM 287 N ILE A 22 4.877 -5.417 4.222 1.00 0.00 N ATOM 288 CA ILE A 22 5.105 -5.503 2.789 1.00 0.00 C ATOM 289 C ILE A 22 6.606 -5.401 2.509 1.00 0.00 C ATOM 290 O ILE A 22 7.356 -4.857 3.317 1.00 0.00 O ATOM 291 CB ILE A 22 4.269 -4.458 2.049 1.00 0.00 C ATOM 292 CG1 ILE A 22 3.787 -4.995 0.700 1.00 0.00 C ATOM 293 CG2 ILE A 22 5.039 -3.144 1.901 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.723 -6.077 0.889 1.00 0.00 C ATOM 0 H ILE A 22 4.065 -4.861 4.492 1.00 0.00 H new ATOM 0 HA ILE A 22 4.774 -6.469 2.408 1.00 0.00 H new ATOM 0 HB ILE A 22 3.382 -4.246 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.379 -4.178 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.631 -5.403 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.422 -2.418 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.289 -2.756 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.955 -3.321 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.398 -6.442 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.142 -6.903 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.870 -5.659 1.423 1.00 0.00 H new ATOM 306 N ARG A 23 6.998 -5.934 1.361 1.00 0.00 N ATOM 307 CA ARG A 23 8.396 -5.910 0.965 1.00 0.00 C ATOM 308 C ARG A 23 8.533 -5.384 -0.465 1.00 0.00 C ATOM 309 O ARG A 23 8.522 -6.159 -1.420 1.00 0.00 O ATOM 310 CB ARG A 23 9.017 -7.306 1.048 1.00 0.00 C ATOM 311 CG ARG A 23 8.972 -7.841 2.481 1.00 0.00 C ATOM 312 CD ARG A 23 10.131 -8.805 2.743 1.00 0.00 C ATOM 313 NE ARG A 23 9.709 -9.857 3.695 1.00 0.00 N ATOM 314 CZ ARG A 23 10.540 -10.762 4.230 1.00 0.00 C ATOM 315 NH1 ARG A 23 11.841 -10.749 3.910 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.069 -11.680 5.085 1.00 0.00 N ATOM 0 H ARG A 23 6.373 -6.385 0.693 1.00 0.00 H new ATOM 0 HA ARG A 23 8.924 -5.249 1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.482 -7.986 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.050 -7.270 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.019 -7.010 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.024 -8.351 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.456 -9.259 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.985 -8.260 3.146 1.00 0.00 H new ATOM 0 HE ARG A 23 8.725 -9.895 3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.199 -10.050 3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.473 -11.438 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.078 -11.690 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.701 -12.369 5.493 1.00 0.00 H new ATOM 330 N PRO A 24 8.661 -4.034 -0.571 1.00 0.00 N ATOM 331 CA PRO A 24 8.800 -3.394 -1.868 1.00 0.00 C ATOM 332 C PRO A 24 10.204 -3.607 -2.437 1.00 0.00 C ATOM 333 O PRO A 24 10.357 -4.097 -3.555 1.00 0.00 O ATOM 334 CB PRO A 24 8.474 -1.930 -1.622 1.00 0.00 C ATOM 335 CG PRO A 24 8.620 -1.717 -0.124 1.00 0.00 C ATOM 336 CD PRO A 24 8.678 -3.084 0.538 1.00 0.00 C ATOM 0 HA PRO A 24 8.132 -3.816 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.151 -1.280 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.463 -1.694 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.524 -1.149 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.780 -1.141 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.580 -3.194 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.829 -3.238 1.204 1.00 0.00 H new ATOM 529 N THR A 37 8.191 0.316 -3.631 1.00 0.00 N ATOM 530 CA THR A 37 7.037 -0.161 -4.374 1.00 0.00 C ATOM 531 C THR A 37 6.984 -1.690 -4.353 1.00 0.00 C ATOM 532 O THR A 37 7.995 -2.353 -4.579 1.00 0.00 O ATOM 533 CB THR A 37 7.109 0.425 -5.786 1.00 0.00 C ATOM 534 OG1 THR A 37 8.495 0.377 -6.111 1.00 0.00 O ATOM 535 CG2 THR A 37 6.770 1.917 -5.818 1.00 0.00 C ATOM 0 HA THR A 37 6.106 0.172 -3.915 1.00 0.00 H new ATOM 0 HB THR A 37 6.425 -0.117 -6.440 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.026 0.476 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.836 2.283 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.758 2.068 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.475 2.464 -5.191 1.00 0.00 H new ATOM 543 N PHE A 38 5.794 -2.205 -4.080 1.00 0.00 N ATOM 544 CA PHE A 38 5.596 -3.643 -4.026 1.00 0.00 C ATOM 545 C PHE A 38 4.525 -4.087 -5.025 1.00 0.00 C ATOM 546 O PHE A 38 3.434 -3.520 -5.062 1.00 0.00 O ATOM 547 CB PHE A 38 5.126 -3.978 -2.609 1.00 0.00 C ATOM 548 CG PHE A 38 3.873 -3.215 -2.173 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.649 -3.608 -2.615 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.984 -2.143 -1.344 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.486 -2.900 -2.210 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.822 -1.434 -0.939 1.00 0.00 C ATOM 553 CZ PHE A 38 1.597 -1.828 -1.381 1.00 0.00 C ATOM 0 H PHE A 38 4.957 -1.652 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 38 6.524 -4.156 -4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.928 -5.048 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.933 -3.762 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.561 -4.459 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.956 -1.830 -0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.514 -3.213 -2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.911 -0.583 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.713 -1.289 -1.073 1.00 0.00 H new ATOM 563 N LEU A 39 4.873 -5.096 -5.809 1.00 0.00 N ATOM 564 CA LEU A 39 3.955 -5.622 -6.804 1.00 0.00 C ATOM 565 C LEU A 39 2.564 -5.765 -6.184 1.00 0.00 C ATOM 566 O LEU A 39 2.431 -5.863 -4.965 1.00 0.00 O ATOM 567 CB LEU A 39 4.499 -6.922 -7.401 1.00 0.00 C ATOM 568 CG LEU A 39 5.954 -6.886 -7.872 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.322 -8.174 -8.612 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.227 -5.641 -8.718 1.00 0.00 C ATOM 0 H LEU A 39 5.779 -5.564 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 39 3.862 -4.929 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.399 -7.711 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.871 -7.201 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 39 6.596 -6.824 -6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.361 -8.123 -8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.191 -9.027 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.676 -8.291 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.269 -5.641 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.577 -5.646 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.030 -4.748 -8.125 1.00 0.00 H new ATOM 582 N GLY A 40 1.562 -5.772 -7.051 1.00 0.00 N ATOM 583 CA GLY A 40 0.186 -5.902 -6.603 1.00 0.00 C ATOM 584 C GLY A 40 -0.096 -7.319 -6.101 1.00 0.00 C ATOM 585 O GLY A 40 -0.850 -7.505 -5.146 1.00 0.00 O ATOM 0 H GLY A 40 1.676 -5.690 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.010 -5.184 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.491 -5.661 -7.422 1.00 0.00 H new ATOM 589 N SER A 41 0.523 -8.283 -6.767 1.00 0.00 N ATOM 590 CA SER A 41 0.348 -9.678 -6.400 1.00 0.00 C ATOM 591 C SER A 41 1.017 -9.952 -5.051 1.00 0.00 C ATOM 592 O SER A 41 0.512 -10.740 -4.253 1.00 0.00 O ATOM 593 CB SER A 41 0.918 -10.606 -7.474 1.00 0.00 C ATOM 594 OG SER A 41 -0.098 -11.376 -8.108 1.00 0.00 O ATOM 0 H SER A 41 1.146 -8.125 -7.559 1.00 0.00 H new ATOM 0 HA SER A 41 -0.720 -9.878 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.444 -10.014 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.651 -11.275 -7.023 1.00 0.00 H new ATOM 0 HG SER A 41 0.306 -11.954 -8.788 1.00 0.00 H new ATOM 600 N SER A 42 2.143 -9.287 -4.839 1.00 0.00 N ATOM 601 CA SER A 42 2.886 -9.449 -3.601 1.00 0.00 C ATOM 602 C SER A 42 2.061 -8.928 -2.423 1.00 0.00 C ATOM 603 O SER A 42 2.021 -9.552 -1.364 1.00 0.00 O ATOM 604 CB SER A 42 4.232 -8.725 -3.668 1.00 0.00 C ATOM 605 OG SER A 42 5.329 -9.626 -3.547 1.00 0.00 O ATOM 0 H SER A 42 2.559 -8.635 -5.504 1.00 0.00 H new ATOM 0 HA SER A 42 3.082 -10.511 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.307 -8.187 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.284 -7.982 -2.872 1.00 0.00 H new ATOM 0 HG SER A 42 6.170 -9.126 -3.596 1.00 0.00 H new ATOM 611 N LEU A 43 1.422 -7.789 -2.647 1.00 0.00 N ATOM 612 CA LEU A 43 0.600 -7.177 -1.617 1.00 0.00 C ATOM 613 C LEU A 43 -0.554 -8.118 -1.265 1.00 0.00 C ATOM 614 O LEU A 43 -0.580 -8.694 -0.178 1.00 0.00 O ATOM 615 CB LEU A 43 0.144 -5.783 -2.053 1.00 0.00 C ATOM 616 CG LEU A 43 -0.711 -5.011 -1.047 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.921 -4.372 -1.732 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.123 -5.907 0.123 1.00 0.00 C ATOM 0 H LEU A 43 1.457 -7.274 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 43 1.180 -7.028 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.028 -5.188 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.421 -5.881 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.108 -4.201 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.512 -3.829 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.580 -3.681 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.534 -5.150 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.730 -5.334 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.701 -6.752 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.232 -6.274 0.631 1.00 0.00 H new ATOM 630 N VAL A 44 -1.479 -8.246 -2.205 1.00 0.00 N ATOM 631 CA VAL A 44 -2.632 -9.108 -2.007 1.00 0.00 C ATOM 632 C VAL A 44 -2.233 -10.292 -1.124 1.00 0.00 C ATOM 633 O VAL A 44 -2.705 -10.415 0.005 1.00 0.00 O ATOM 634 CB VAL A 44 -3.202 -9.537 -3.360 1.00 0.00 C ATOM 635 CG1 VAL A 44 -3.940 -10.873 -3.246 1.00 0.00 C ATOM 636 CG2 VAL A 44 -4.116 -8.455 -3.938 1.00 0.00 C ATOM 0 H VAL A 44 -1.454 -7.767 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.427 -8.570 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.367 -9.673 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.335 -11.155 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.250 -11.642 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.761 -10.775 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.508 -8.785 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.944 -8.273 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.549 -7.534 -4.074 1.00 0.00 H new ATOM 646 N ASP A 45 -1.368 -11.133 -1.672 1.00 0.00 N ATOM 647 CA ASP A 45 -0.900 -12.302 -0.948 1.00 0.00 C ATOM 648 C ASP A 45 -0.616 -11.917 0.506 1.00 0.00 C ATOM 649 O ASP A 45 -1.174 -12.508 1.429 1.00 0.00 O ATOM 650 CB ASP A 45 0.395 -12.845 -1.555 1.00 0.00 C ATOM 651 CG ASP A 45 0.688 -14.315 -1.248 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.502 -14.696 -0.072 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.090 -15.023 -2.195 1.00 0.00 O ATOM 0 H ASP A 45 -0.979 -11.028 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.674 -13.067 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.353 -12.717 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.228 -12.241 -1.195 1.00 0.00 H new ATOM 658 N TRP A 46 0.253 -10.929 0.663 1.00 0.00 N ATOM 659 CA TRP A 46 0.618 -10.458 1.989 1.00 0.00 C ATOM 660 C TRP A 46 -0.668 -10.273 2.796 1.00 0.00 C ATOM 661 O TRP A 46 -0.872 -10.942 3.807 1.00 0.00 O ATOM 662 CB TRP A 46 1.460 -9.184 1.905 1.00 0.00 C ATOM 663 CG TRP A 46 1.878 -8.623 3.266 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.992 -8.890 3.961 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.137 -7.684 4.073 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.024 -8.194 5.152 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.860 -7.437 5.222 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.102 -7.063 3.839 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.425 -6.566 6.229 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.523 -6.195 4.854 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.193 -5.936 6.017 1.00 0.00 C ATOM 0 H TRP A 46 0.715 -10.442 -0.105 1.00 0.00 H new ATOM 0 HA TRP A 46 1.246 -11.189 2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.355 -9.390 1.318 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.895 -8.422 1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.767 -9.565 3.631 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.765 -8.229 5.852 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.684 -7.241 2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.008 -6.390 7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.470 -5.692 4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.200 -5.251 6.754 1.00 0.00 H new ATOM 682 N LEU A 47 -1.502 -9.361 2.318 1.00 0.00 N ATOM 683 CA LEU A 47 -2.763 -9.079 2.983 1.00 0.00 C ATOM 684 C LEU A 47 -3.380 -10.390 3.475 1.00 0.00 C ATOM 685 O LEU A 47 -3.889 -10.460 4.592 1.00 0.00 O ATOM 686 CB LEU A 47 -3.684 -8.273 2.065 1.00 0.00 C ATOM 687 CG LEU A 47 -3.527 -6.753 2.124 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.027 -6.099 0.834 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.216 -6.178 3.363 1.00 0.00 C ATOM 0 H LEU A 47 -1.329 -8.808 1.478 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.599 -8.454 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.514 -8.596 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.717 -8.521 2.310 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.465 -6.523 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.904 -5.018 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.452 -6.477 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.081 -6.336 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.089 -5.096 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.279 -6.418 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.772 -6.610 4.260 1.00 0.00 H new ATOM 701 N ILE A 48 -3.313 -11.398 2.617 1.00 0.00 N ATOM 702 CA ILE A 48 -3.858 -12.702 2.950 1.00 0.00 C ATOM 703 C ILE A 48 -3.019 -13.331 4.065 1.00 0.00 C ATOM 704 O ILE A 48 -3.539 -13.646 5.134 1.00 0.00 O ATOM 705 CB ILE A 48 -3.967 -13.574 1.697 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.744 -12.852 0.594 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.576 -14.938 2.029 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.459 -13.475 -0.774 1.00 0.00 C ATOM 0 H ILE A 48 -2.889 -11.337 1.691 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.874 -12.603 3.331 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.961 -13.755 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.812 -12.901 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.470 -11.797 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.642 -15.538 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.947 -15.450 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.574 -14.799 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.023 -12.944 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.394 -13.402 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.757 -14.523 -0.766 1.00 0.00 H new ATOM 720 N SER A 49 -1.737 -13.494 3.777 1.00 0.00 N ATOM 721 CA SER A 49 -0.821 -14.079 4.741 1.00 0.00 C ATOM 722 C SER A 49 -0.922 -13.337 6.075 1.00 0.00 C ATOM 723 O SER A 49 -0.713 -13.926 7.135 1.00 0.00 O ATOM 724 CB SER A 49 0.618 -14.048 4.224 1.00 0.00 C ATOM 725 OG SER A 49 1.564 -14.289 5.262 1.00 0.00 O ATOM 0 H SER A 49 -1.310 -13.231 2.889 1.00 0.00 H new ATOM 0 HA SER A 49 -1.102 -15.122 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.739 -14.798 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.819 -13.078 3.769 1.00 0.00 H new ATOM 0 HG SER A 49 2.471 -14.262 4.891 1.00 0.00 H new ATOM 731 N SER A 50 -1.242 -12.055 5.980 1.00 0.00 N ATOM 732 CA SER A 50 -1.374 -11.226 7.166 1.00 0.00 C ATOM 733 C SER A 50 -2.658 -11.586 7.917 1.00 0.00 C ATOM 734 O SER A 50 -2.844 -11.184 9.064 1.00 0.00 O ATOM 735 CB SER A 50 -1.370 -9.740 6.803 1.00 0.00 C ATOM 736 OG SER A 50 -0.214 -9.376 6.053 1.00 0.00 O ATOM 0 H SER A 50 -1.414 -11.570 5.099 1.00 0.00 H new ATOM 0 HA SER A 50 -0.517 -11.416 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.265 -9.505 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.413 -9.144 7.715 1.00 0.00 H new ATOM 0 HG SER A 50 -0.309 -8.455 5.731 1.00 0.00 H new ATOM 742 N ASN A 51 -3.510 -12.340 7.238 1.00 0.00 N ATOM 743 CA ASN A 51 -4.771 -12.758 7.826 1.00 0.00 C ATOM 744 C ASN A 51 -5.780 -11.612 7.728 1.00 0.00 C ATOM 745 O ASN A 51 -6.767 -11.585 8.461 1.00 0.00 O ATOM 746 CB ASN A 51 -4.599 -13.110 9.305 1.00 0.00 C ATOM 747 CG ASN A 51 -5.724 -14.029 9.785 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.337 -14.755 9.019 1.00 0.00 O ATOM 749 ND2 ASN A 51 -5.962 -13.958 11.091 1.00 0.00 N ATOM 0 H ASN A 51 -3.352 -12.672 6.287 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.121 -13.637 7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.636 -13.598 9.457 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.591 -12.197 9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.695 -14.532 11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.412 -13.329 11.676 1.00 0.00 H new ATOM 756 N PHE A 52 -5.498 -10.695 6.814 1.00 0.00 N ATOM 757 CA PHE A 52 -6.369 -9.550 6.610 1.00 0.00 C ATOM 758 C PHE A 52 -7.369 -9.815 5.483 1.00 0.00 C ATOM 759 O PHE A 52 -8.364 -9.105 5.352 1.00 0.00 O ATOM 760 CB PHE A 52 -5.474 -8.372 6.216 1.00 0.00 C ATOM 761 CG PHE A 52 -4.516 -7.921 7.320 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.905 -7.976 8.622 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.276 -7.465 7.000 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.016 -7.557 9.647 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.387 -7.046 8.025 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.776 -7.101 9.327 1.00 0.00 C ATOM 0 H PHE A 52 -4.679 -10.722 6.207 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.934 -9.346 7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.893 -8.649 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.104 -7.530 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.890 -8.338 8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.967 -7.421 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.325 -7.601 10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.402 -6.684 7.771 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.100 -6.782 10.107 1.00 0.00 H new ATOM 776 N ALA A 53 -7.069 -10.840 4.698 1.00 0.00 N ATOM 777 CA ALA A 53 -7.929 -11.208 3.587 1.00 0.00 C ATOM 778 C ALA A 53 -8.153 -12.721 3.600 1.00 0.00 C ATOM 779 O ALA A 53 -7.332 -13.469 4.130 1.00 0.00 O ATOM 780 CB ALA A 53 -7.306 -10.722 2.276 1.00 0.00 C ATOM 0 H ALA A 53 -6.242 -11.427 4.810 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.904 -10.730 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.951 -10.998 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.195 -9.638 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.327 -11.183 2.145 1.00 0.00 H new ATOM 786 N ALA A 54 -9.267 -13.128 3.011 1.00 0.00 N ATOM 787 CA ALA A 54 -9.609 -14.539 2.948 1.00 0.00 C ATOM 788 C ALA A 54 -9.084 -15.129 1.638 1.00 0.00 C ATOM 789 O ALA A 54 -8.722 -16.303 1.583 1.00 0.00 O ATOM 790 CB ALA A 54 -11.123 -14.705 3.097 1.00 0.00 C ATOM 0 H ALA A 54 -9.945 -12.505 2.573 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.139 -15.084 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.379 -15.763 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.441 -14.297 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.628 -14.173 2.291 1.00 0.00 H new ATOM 796 N SER A 55 -9.059 -14.287 0.615 1.00 0.00 N ATOM 797 CA SER A 55 -8.583 -14.711 -0.691 1.00 0.00 C ATOM 798 C SER A 55 -8.050 -13.507 -1.469 1.00 0.00 C ATOM 799 O SER A 55 -8.300 -12.362 -1.096 1.00 0.00 O ATOM 800 CB SER A 55 -9.693 -15.405 -1.482 1.00 0.00 C ATOM 801 OG SER A 55 -9.295 -16.693 -1.944 1.00 0.00 O ATOM 0 H SER A 55 -9.360 -13.314 0.664 1.00 0.00 H new ATOM 0 HA SER A 55 -7.775 -15.428 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.579 -15.503 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.973 -14.785 -2.334 1.00 0.00 H new ATOM 0 HG SER A 55 -10.032 -17.104 -2.443 1.00 0.00 H new ATOM 807 N ARG A 56 -7.325 -13.807 -2.537 1.00 0.00 N ATOM 808 CA ARG A 56 -6.754 -12.763 -3.371 1.00 0.00 C ATOM 809 C ARG A 56 -7.765 -11.633 -3.574 1.00 0.00 C ATOM 810 O ARG A 56 -7.386 -10.469 -3.686 1.00 0.00 O ATOM 811 CB ARG A 56 -6.336 -13.316 -4.735 1.00 0.00 C ATOM 812 CG ARG A 56 -4.856 -13.706 -4.740 1.00 0.00 C ATOM 813 CD ARG A 56 -4.688 -15.216 -4.917 1.00 0.00 C ATOM 814 NE ARG A 56 -3.452 -15.670 -4.241 1.00 0.00 N ATOM 815 CZ ARG A 56 -2.847 -16.840 -4.489 1.00 0.00 C ATOM 816 NH1 ARG A 56 -3.360 -17.680 -5.398 1.00 0.00 N ATOM 817 NH2 ARG A 56 -1.730 -17.170 -3.827 1.00 0.00 N ATOM 0 H ARG A 56 -7.120 -14.758 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.871 -12.377 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.945 -14.186 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.521 -12.569 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.341 -13.182 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.390 -13.392 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.551 -15.737 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.644 -15.464 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.035 -15.054 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.211 -17.429 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.900 -18.570 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.340 -16.531 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.270 -18.060 -4.016 1.00 0.00 H new ATOM 831 N LEU A 57 -9.032 -12.017 -3.615 1.00 0.00 N ATOM 832 CA LEU A 57 -10.101 -11.050 -3.803 1.00 0.00 C ATOM 833 C LEU A 57 -10.121 -10.082 -2.618 1.00 0.00 C ATOM 834 O LEU A 57 -9.791 -8.907 -2.767 1.00 0.00 O ATOM 835 CB LEU A 57 -11.434 -11.764 -4.036 1.00 0.00 C ATOM 836 CG LEU A 57 -12.375 -11.113 -5.052 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.141 -9.948 -4.422 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.613 -10.685 -6.308 1.00 0.00 C ATOM 0 H LEU A 57 -9.343 -12.984 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.923 -10.455 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.226 -12.782 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.956 -11.837 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.112 -11.855 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.802 -9.503 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.732 -10.313 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.435 -9.197 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.304 -10.225 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.840 -9.966 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.151 -11.558 -6.769 1.00 0.00 H new ATOM 850 N GLU A 58 -10.511 -10.613 -1.468 1.00 0.00 N ATOM 851 CA GLU A 58 -10.578 -9.810 -0.259 1.00 0.00 C ATOM 852 C GLU A 58 -9.394 -8.844 -0.196 1.00 0.00 C ATOM 853 O GLU A 58 -9.564 -7.667 0.116 1.00 0.00 O ATOM 854 CB GLU A 58 -10.628 -10.698 0.986 1.00 0.00 C ATOM 855 CG GLU A 58 -12.003 -11.350 1.140 1.00 0.00 C ATOM 856 CD GLU A 58 -13.121 -10.356 0.819 1.00 0.00 C ATOM 857 OE1 GLU A 58 -13.543 -9.652 1.762 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.528 -10.322 -0.363 1.00 0.00 O ATOM 0 H GLU A 58 -10.784 -11.589 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.497 -9.225 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.861 -11.470 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.403 -10.103 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.077 -12.212 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.122 -11.720 2.158 1.00 0.00 H new ATOM 865 N ALA A 59 -8.219 -9.378 -0.498 1.00 0.00 N ATOM 866 CA ALA A 59 -7.007 -8.577 -0.480 1.00 0.00 C ATOM 867 C ALA A 59 -7.132 -7.446 -1.503 1.00 0.00 C ATOM 868 O ALA A 59 -6.862 -6.288 -1.190 1.00 0.00 O ATOM 869 CB ALA A 59 -5.798 -9.476 -0.750 1.00 0.00 C ATOM 0 H ALA A 59 -8.081 -10.355 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.863 -8.121 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.888 -8.876 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.737 -10.245 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.907 -9.949 -1.726 1.00 0.00 H new ATOM 875 N VAL A 60 -7.542 -7.822 -2.706 1.00 0.00 N ATOM 876 CA VAL A 60 -7.706 -6.854 -3.777 1.00 0.00 C ATOM 877 C VAL A 60 -8.576 -5.696 -3.283 1.00 0.00 C ATOM 878 O VAL A 60 -8.325 -4.540 -3.619 1.00 0.00 O ATOM 879 CB VAL A 60 -8.275 -7.541 -5.020 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.825 -6.512 -6.011 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.225 -8.434 -5.683 1.00 0.00 C ATOM 0 H VAL A 60 -7.765 -8.784 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.742 -6.436 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.102 -8.177 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.223 -7.026 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.619 -5.937 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.024 -5.839 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.656 -8.910 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.368 -7.829 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.902 -9.200 -4.978 1.00 0.00 H new ATOM 891 N THR A 61 -9.579 -6.047 -2.492 1.00 0.00 N ATOM 892 CA THR A 61 -10.487 -5.051 -1.948 1.00 0.00 C ATOM 893 C THR A 61 -9.830 -4.312 -0.781 1.00 0.00 C ATOM 894 O THR A 61 -9.970 -3.096 -0.654 1.00 0.00 O ATOM 895 CB THR A 61 -11.789 -5.758 -1.564 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.810 -4.893 -2.054 1.00 0.00 O ATOM 897 CG2 THR A 61 -12.016 -5.784 -0.052 1.00 0.00 C ATOM 0 H THR A 61 -9.783 -7.007 -2.215 1.00 0.00 H new ATOM 0 HA THR A 61 -10.722 -4.284 -2.686 1.00 0.00 H new ATOM 0 HB THR A 61 -11.775 -6.779 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.689 -5.276 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.953 -6.297 0.167 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.193 -6.311 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.064 -4.763 0.326 1.00 0.00 H new ATOM 905 N LEU A 62 -9.127 -5.076 0.041 1.00 0.00 N ATOM 906 CA LEU A 62 -8.448 -4.508 1.194 1.00 0.00 C ATOM 907 C LEU A 62 -7.357 -3.548 0.716 1.00 0.00 C ATOM 908 O LEU A 62 -7.064 -2.556 1.381 1.00 0.00 O ATOM 909 CB LEU A 62 -7.932 -5.618 2.112 1.00 0.00 C ATOM 910 CG LEU A 62 -8.764 -5.893 3.366 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.321 -7.318 3.354 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.957 -5.604 4.633 1.00 0.00 C ATOM 0 H LEU A 62 -9.012 -6.084 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.144 -3.925 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.868 -6.540 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.918 -5.364 2.421 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.617 -5.214 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.908 -7.487 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.955 -7.453 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.497 -8.031 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.571 -5.807 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.072 -6.240 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.651 -4.558 4.639 1.00 0.00 H new ATOM 924 N ALA A 63 -6.786 -3.877 -0.434 1.00 0.00 N ATOM 925 CA ALA A 63 -5.734 -3.056 -1.009 1.00 0.00 C ATOM 926 C ALA A 63 -6.329 -1.726 -1.476 1.00 0.00 C ATOM 927 O ALA A 63 -5.909 -0.662 -1.025 1.00 0.00 O ATOM 928 CB ALA A 63 -5.053 -3.822 -2.145 1.00 0.00 C ATOM 0 H ALA A 63 -7.032 -4.701 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.971 -2.832 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.264 -3.207 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.622 -4.744 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.788 -4.062 -2.914 1.00 0.00 H new ATOM 934 N SER A 64 -7.297 -1.831 -2.375 1.00 0.00 N ATOM 935 CA SER A 64 -7.953 -0.649 -2.908 1.00 0.00 C ATOM 936 C SER A 64 -8.506 0.203 -1.765 1.00 0.00 C ATOM 937 O SER A 64 -8.571 1.427 -1.873 1.00 0.00 O ATOM 938 CB SER A 64 -9.075 -1.032 -3.876 1.00 0.00 C ATOM 939 OG SER A 64 -10.302 -1.287 -3.196 1.00 0.00 O ATOM 0 H SER A 64 -7.642 -2.716 -2.747 1.00 0.00 H new ATOM 0 HA SER A 64 -7.215 -0.068 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.221 -0.229 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.782 -1.918 -4.439 1.00 0.00 H new ATOM 0 HG SER A 64 -10.134 -1.869 -2.425 1.00 0.00 H new ATOM 945 N MET A 65 -8.891 -0.477 -0.695 1.00 0.00 N ATOM 946 CA MET A 65 -9.436 0.203 0.468 1.00 0.00 C ATOM 947 C MET A 65 -8.382 1.095 1.126 1.00 0.00 C ATOM 948 O MET A 65 -8.696 2.182 1.609 1.00 0.00 O ATOM 949 CB MET A 65 -9.933 -0.832 1.479 1.00 0.00 C ATOM 950 CG MET A 65 -11.351 -1.295 1.137 1.00 0.00 C ATOM 951 SD MET A 65 -12.439 -0.999 2.520 1.00 0.00 S ATOM 952 CE MET A 65 -11.894 -2.289 3.626 1.00 0.00 C ATOM 0 H MET A 65 -8.836 -1.492 -0.609 1.00 0.00 H new ATOM 0 HA MET A 65 -10.264 0.832 0.142 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.259 -1.689 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.918 -0.403 2.481 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.714 -0.763 0.258 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.346 -2.356 0.888 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.736 -2.935 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.116 -2.879 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.497 -1.843 4.538 1.00 0.00 H new ATOM 962 N LEU A 66 -7.152 0.602 1.125 1.00 0.00 N ATOM 963 CA LEU A 66 -6.049 1.341 1.716 1.00 0.00 C ATOM 964 C LEU A 66 -5.757 2.580 0.867 1.00 0.00 C ATOM 965 O LEU A 66 -5.666 3.689 1.392 1.00 0.00 O ATOM 966 CB LEU A 66 -4.836 0.428 1.909 1.00 0.00 C ATOM 967 CG LEU A 66 -5.062 -0.814 2.773 1.00 0.00 C ATOM 968 CD1 LEU A 66 -4.232 -1.994 2.265 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.787 -0.514 4.248 1.00 0.00 C ATOM 0 H LEU A 66 -6.895 -0.300 0.724 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.317 1.693 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.489 0.105 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.032 1.014 2.354 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.111 -1.099 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.411 -2.864 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.519 -2.225 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.174 -1.735 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.955 -1.414 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.753 -0.190 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.456 0.275 4.590 1.00 0.00 H new ATOM 981 N MET A 67 -5.619 2.350 -0.430 1.00 0.00 N ATOM 982 CA MET A 67 -5.339 3.434 -1.357 1.00 0.00 C ATOM 983 C MET A 67 -6.314 4.595 -1.152 1.00 0.00 C ATOM 984 O MET A 67 -5.937 5.758 -1.286 1.00 0.00 O ATOM 985 CB MET A 67 -5.451 2.919 -2.793 1.00 0.00 C ATOM 986 CG MET A 67 -4.163 2.217 -3.226 1.00 0.00 C ATOM 987 SD MET A 67 -3.919 2.417 -4.983 1.00 0.00 S ATOM 988 CE MET A 67 -5.573 2.083 -5.566 1.00 0.00 C ATOM 0 H MET A 67 -5.696 1.429 -0.861 1.00 0.00 H new ATOM 0 HA MET A 67 -4.328 3.796 -1.170 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.290 2.227 -2.871 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.660 3.751 -3.466 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.313 2.631 -2.683 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.215 1.157 -2.976 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.531 1.730 -6.596 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.033 1.319 -4.939 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.167 2.996 -5.519 1.00 0.00 H new ATOM 998 N GLU A 68 -7.550 4.239 -0.832 1.00 0.00 N ATOM 999 CA GLU A 68 -8.582 5.236 -0.608 1.00 0.00 C ATOM 1000 C GLU A 68 -8.318 5.990 0.697 1.00 0.00 C ATOM 1001 O GLU A 68 -8.410 7.216 0.740 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.971 4.596 -0.600 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.658 4.758 -1.958 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.921 5.614 -1.834 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.985 5.018 -1.561 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -11.792 6.844 -2.016 1.00 0.00 O ATOM 0 H GLU A 68 -7.859 3.273 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.553 5.951 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.886 3.537 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.582 5.054 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.969 5.220 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.916 3.778 -2.358 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.994 5.225 1.729 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.716 5.805 3.032 1.00 0.00 C ATOM 1015 C GLU A 69 -6.516 6.750 2.947 1.00 0.00 C ATOM 1016 O GLU A 69 -6.251 7.508 3.879 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.482 4.714 4.079 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.772 4.396 4.838 1.00 0.00 C ATOM 1019 CD GLU A 69 -8.776 5.062 6.215 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -7.805 4.822 6.965 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -9.750 5.796 6.488 1.00 0.00 O ATOM 0 H GLU A 69 -7.918 4.209 1.689 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.586 6.382 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.110 3.812 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.713 5.037 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.631 4.739 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.875 3.317 4.952 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.822 6.675 1.821 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.657 7.514 1.602 1.00 0.00 C ATOM 1030 C ASN A 70 -3.420 6.824 2.181 1.00 0.00 C ATOM 1031 O ASN A 70 -2.492 7.487 2.640 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.813 8.867 2.300 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.034 9.957 1.562 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -3.614 9.798 0.428 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -3.864 11.072 2.268 1.00 0.00 N ATOM 0 H ASN A 70 -6.045 6.045 1.050 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.553 7.672 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.868 9.137 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.457 8.793 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.356 11.859 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.242 11.140 3.213 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.448 5.500 2.140 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.341 4.712 2.655 1.00 0.00 C ATOM 1044 C PHE A 71 -1.410 4.269 1.524 1.00 0.00 C ATOM 1045 O PHE A 71 -0.205 4.130 1.726 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.944 3.472 3.318 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.672 3.762 4.633 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.094 4.563 5.567 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.896 3.217 4.866 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.770 4.832 6.787 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.571 3.486 6.086 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.994 4.287 7.021 1.00 0.00 C ATOM 0 H PHE A 71 -4.220 4.953 1.758 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.758 5.306 3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.642 3.004 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.149 2.750 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.121 4.995 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.354 2.580 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.312 5.469 7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.543 3.054 6.271 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.507 4.490 7.949 1.00 0.00 H new ATOM 1062 N LEU A 72 -2.005 4.059 0.359 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.245 3.635 -0.804 1.00 0.00 C ATOM 1064 C LEU A 72 -1.759 4.373 -2.041 1.00 0.00 C ATOM 1065 O LEU A 72 -2.783 5.052 -1.982 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.277 2.111 -0.939 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.325 1.385 -0.092 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.968 0.241 -0.878 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.725 0.906 1.231 1.00 0.00 C ATOM 0 H LEU A 72 -3.005 4.175 0.196 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.194 3.899 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.449 1.862 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.293 1.722 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.117 2.093 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.709 -0.258 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.454 0.639 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.200 -0.475 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.491 0.394 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.902 0.220 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.354 1.763 1.794 1.00 0.00 H new ATOM 1081 N ARG A 73 -1.026 4.214 -3.133 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.395 4.857 -4.383 1.00 0.00 C ATOM 1083 C ARG A 73 -0.871 4.048 -5.571 1.00 0.00 C ATOM 1084 O ARG A 73 0.160 3.385 -5.469 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.836 6.279 -4.457 1.00 0.00 C ATOM 1086 CG ARG A 73 0.665 6.294 -4.165 1.00 0.00 C ATOM 1087 CD ARG A 73 0.935 6.635 -2.698 1.00 0.00 C ATOM 1088 NE ARG A 73 2.264 7.271 -2.562 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.515 8.557 -2.846 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.528 9.350 -3.283 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.752 9.048 -2.693 1.00 0.00 N ATOM 0 H ARG A 73 -0.178 3.649 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.483 4.904 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.022 6.695 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.356 6.916 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.095 5.320 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.157 7.024 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.162 7.306 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.892 5.730 -2.092 1.00 0.00 H new ATOM 0 HE ARG A 73 3.038 6.695 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.586 8.975 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.718 10.329 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.503 8.443 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.943 10.026 -2.909 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.624 4.131 -6.700 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.247 3.415 -7.907 1.00 0.00 C ATOM 1107 C PRO A 74 -0.066 4.097 -8.602 1.00 0.00 C ATOM 1108 O PRO A 74 -0.095 5.303 -8.843 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.504 3.390 -8.760 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.402 4.487 -8.211 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.851 4.907 -6.858 1.00 0.00 C ATOM 0 HA PRO A 74 -0.901 2.402 -7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.268 3.567 -9.809 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.995 2.419 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.427 5.337 -8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.426 4.128 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.649 5.978 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.560 4.694 -6.058 1.00 0.00 H new ATOM 1361 N PHE A 92 -8.075 -2.198 -8.391 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.798 -2.772 -7.999 1.00 0.00 C ATOM 1363 C PHE A 92 -6.548 -4.096 -8.723 1.00 0.00 C ATOM 1364 O PHE A 92 -7.483 -4.850 -8.987 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.868 -3.032 -6.493 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.552 -3.518 -5.884 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -5.248 -4.844 -5.891 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.685 -2.624 -5.336 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -4.026 -5.295 -5.325 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.463 -3.076 -4.770 1.00 0.00 C ATOM 1371 CZ PHE A 92 -3.159 -4.401 -4.777 1.00 0.00 C ATOM 0 HA PHE A 92 -5.988 -2.090 -8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.172 -2.114 -5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.642 -3.774 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.936 -5.554 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.926 -1.571 -5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.785 -6.348 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.775 -2.367 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.229 -4.744 -4.348 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.280 -4.340 -9.022 1.00 0.00 N ATOM 1382 CA LEU A 93 -4.894 -5.560 -9.709 1.00 0.00 C ATOM 1383 C LEU A 93 -4.064 -6.432 -8.765 1.00 0.00 C ATOM 1384 O LEU A 93 -3.563 -5.951 -7.749 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.187 -5.233 -11.026 1.00 0.00 C ATOM 1386 CG LEU A 93 -4.936 -4.297 -11.976 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -3.971 -3.606 -12.940 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -6.049 -5.042 -12.715 1.00 0.00 C ATOM 0 H LEU A 93 -4.507 -3.713 -8.801 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.777 -6.138 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.220 -4.786 -10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.989 -6.168 -11.550 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.410 -3.516 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.530 -2.947 -13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.247 -3.021 -12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.447 -4.357 -13.531 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.566 -4.354 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.618 -5.857 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.758 -5.447 -11.993 1.00 0.00 H new ATOM 1400 N ASP A 94 -3.943 -7.699 -9.133 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.182 -8.642 -8.331 1.00 0.00 C ATOM 1402 C ASP A 94 -2.209 -9.403 -9.234 1.00 0.00 C ATOM 1403 O ASP A 94 -2.376 -10.600 -9.463 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.103 -9.664 -7.661 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.391 -10.871 -7.047 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.867 -10.710 -5.924 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.386 -11.927 -7.715 1.00 0.00 O ATOM 0 H ASP A 94 -4.359 -8.095 -9.976 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.649 -8.080 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.672 -9.160 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.822 -10.021 -8.398 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.213 -8.677 -9.722 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.213 -9.269 -10.594 1.00 0.00 C ATOM 1414 C ASP A 95 1.160 -8.685 -10.258 1.00 0.00 C ATOM 1415 O ASP A 95 1.272 -7.798 -9.414 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.511 -8.960 -12.063 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.698 -10.187 -12.957 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -0.586 -11.308 -12.414 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -0.949 -9.978 -14.163 1.00 0.00 O ATOM 0 H ASP A 95 -1.078 -7.684 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.229 -10.348 -10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.413 -8.351 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.304 -8.358 -12.464 1.00 0.00 H new ATOM 1424 N SER A 96 2.172 -9.207 -10.936 1.00 0.00 N ATOM 1425 CA SER A 96 3.534 -8.749 -10.719 1.00 0.00 C ATOM 1426 C SER A 96 3.697 -7.324 -11.251 1.00 0.00 C ATOM 1427 O SER A 96 4.260 -6.466 -10.573 1.00 0.00 O ATOM 1428 CB SER A 96 4.542 -9.685 -11.389 1.00 0.00 C ATOM 1429 OG SER A 96 4.222 -11.057 -11.175 1.00 0.00 O ATOM 0 H SER A 96 2.076 -9.943 -11.636 1.00 0.00 H new ATOM 0 HA SER A 96 3.731 -8.754 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.569 -9.482 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.540 -9.481 -11.001 1.00 0.00 H new ATOM 0 HG SER A 96 4.888 -11.622 -11.620 1.00 0.00 H new ATOM 1435 N THR A 97 3.194 -7.116 -12.459 1.00 0.00 N ATOM 1436 CA THR A 97 3.278 -5.810 -13.089 1.00 0.00 C ATOM 1437 C THR A 97 2.712 -4.733 -12.161 1.00 0.00 C ATOM 1438 O THR A 97 3.460 -3.922 -11.617 1.00 0.00 O ATOM 1439 CB THR A 97 2.558 -5.888 -14.437 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.281 -6.433 -14.118 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.182 -6.925 -15.374 1.00 0.00 C ATOM 0 H THR A 97 2.727 -7.830 -13.018 1.00 0.00 H new ATOM 0 HA THR A 97 4.314 -5.526 -13.273 1.00 0.00 H new ATOM 0 HB THR A 97 2.576 -4.909 -14.915 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.747 -6.516 -14.936 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.634 -6.940 -16.316 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.223 -6.664 -15.564 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.134 -7.910 -14.910 1.00 0.00 H new ATOM 1449 N ALA A 98 1.396 -4.759 -12.009 1.00 0.00 N ATOM 1450 CA ALA A 98 0.722 -3.795 -11.156 1.00 0.00 C ATOM 1451 C ALA A 98 1.570 -3.545 -9.907 1.00 0.00 C ATOM 1452 O ALA A 98 1.946 -4.485 -9.209 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.679 -4.306 -10.816 1.00 0.00 C ATOM 0 H ALA A 98 0.779 -5.433 -12.462 1.00 0.00 H new ATOM 0 HA ALA A 98 0.605 -2.842 -11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.185 -3.583 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.250 -4.440 -11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.602 -5.260 -10.295 1.00 0.00 H new ATOM 1459 N LEU A 99 1.847 -2.272 -9.665 1.00 0.00 N ATOM 1460 CA LEU A 99 2.644 -1.886 -8.512 1.00 0.00 C ATOM 1461 C LEU A 99 1.833 -0.930 -7.635 1.00 0.00 C ATOM 1462 O LEU A 99 0.796 -0.421 -8.058 1.00 0.00 O ATOM 1463 CB LEU A 99 3.992 -1.317 -8.959 1.00 0.00 C ATOM 1464 CG LEU A 99 5.177 -2.284 -8.912 1.00 0.00 C ATOM 1465 CD1 LEU A 99 6.144 -2.023 -10.068 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.878 -2.226 -7.554 1.00 0.00 C ATOM 0 H LEU A 99 1.534 -1.495 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 99 2.879 -2.758 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.888 -0.950 -9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.226 -0.456 -8.333 1.00 0.00 H new ATOM 0 HG LEU A 99 4.796 -3.298 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.977 -2.724 -10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.622 -2.156 -11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.523 -1.003 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.716 -2.923 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.245 -1.215 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.173 -2.499 -6.769 1.00 0.00 H new ATOM 1478 N TYR A 100 2.337 -0.715 -6.428 1.00 0.00 N ATOM 1479 CA TYR A 100 1.673 0.171 -5.487 1.00 0.00 C ATOM 1480 C TYR A 100 2.642 0.647 -4.404 1.00 0.00 C ATOM 1481 O TYR A 100 3.510 -0.108 -3.967 1.00 0.00 O ATOM 1482 CB TYR A 100 0.565 -0.659 -4.836 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.628 -0.934 -5.753 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.629 0.008 -5.883 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.704 -2.123 -6.449 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.752 -0.251 -6.746 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.828 -2.381 -7.312 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.796 -1.433 -7.418 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.857 -1.677 -8.233 1.00 0.00 O ATOM 0 H TYR A 100 3.197 -1.139 -6.081 1.00 0.00 H new ATOM 0 HA TYR A 100 1.288 1.054 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.984 -1.610 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.213 -0.140 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.570 0.938 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.079 -2.860 -6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.542 0.477 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.900 -3.307 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.535 -1.969 -9.111 1.00 0.00 H new ATOM 1499 N THR A 101 2.462 1.896 -4.000 1.00 0.00 N ATOM 1500 CA THR A 101 3.311 2.480 -2.975 1.00 0.00 C ATOM 1501 C THR A 101 2.461 3.016 -1.821 1.00 0.00 C ATOM 1502 O THR A 101 1.251 2.797 -1.782 1.00 0.00 O ATOM 1503 CB THR A 101 4.181 3.551 -3.636 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.103 3.927 -2.617 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.406 4.836 -3.931 1.00 0.00 C ATOM 0 H THR A 101 1.741 2.520 -4.364 1.00 0.00 H new ATOM 0 HA THR A 101 3.969 1.732 -2.533 1.00 0.00 H new ATOM 0 HB THR A 101 4.597 3.158 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.961 4.867 -2.378 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.070 5.562 -4.400 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.578 4.615 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.017 5.248 -3.000 1.00 0.00 H new ATOM 1513 N PHE A 102 3.128 3.709 -0.909 1.00 0.00 N ATOM 1514 CA PHE A 102 2.449 4.277 0.242 1.00 0.00 C ATOM 1515 C PHE A 102 2.243 5.784 0.069 1.00 0.00 C ATOM 1516 O PHE A 102 3.172 6.502 -0.298 1.00 0.00 O ATOM 1517 CB PHE A 102 3.348 4.034 1.457 1.00 0.00 C ATOM 1518 CG PHE A 102 3.438 2.566 1.880 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.318 1.903 2.276 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.637 1.925 1.860 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.402 0.541 2.668 1.00 0.00 C ATOM 1522 CE2 PHE A 102 4.720 0.563 2.253 1.00 0.00 C ATOM 1523 CZ PHE A 102 3.601 -0.100 2.649 1.00 0.00 C ATOM 0 H PHE A 102 4.131 3.889 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 102 1.469 3.814 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.350 4.399 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.974 4.621 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.366 2.412 2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.526 2.452 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.513 0.014 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.672 0.054 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.664 -1.136 2.948 1.00 0.00 H new ATOM 1533 N ALA A 103 1.021 6.217 0.341 1.00 0.00 N ATOM 1534 CA ALA A 103 0.681 7.624 0.220 1.00 0.00 C ATOM 1535 C ALA A 103 1.334 8.402 1.364 1.00 0.00 C ATOM 1536 O ALA A 103 1.834 7.808 2.318 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.840 7.783 0.201 1.00 0.00 C ATOM 0 H ALA A 103 0.254 5.618 0.645 1.00 0.00 H new ATOM 0 HA ALA A 103 1.063 8.031 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.094 8.839 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.252 7.236 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.259 7.387 1.126 1.00 0.00 H new