USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS :FLIP no HD1:sc= -1.56! C(o=-3.6!,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -163:sc= -3.66! (180deg=-3.82!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -2.59 F(o=-3.1!,f=-2.6) 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 USER MOD Single : A 37 THR OG1 : rot 4:sc= 0.802 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 145:sc= 0.609 USER MOD Single : A 51 ASN : amide:sc= -0.0974 K(o=-0.097,f=-1.6) 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= 0.181 USER MOD Single : A 65 MET CE :methyl -138:sc= 0 (180deg=-1.28) USER MOD Single : A 67 MET CE :methyl -161:sc= 0 (180deg=-0.403) USER MOD Single : A 70 ASN : amide:sc=-0.00614 X(o=-0.0061,f=0.26) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 49:sc= 0.608 USER MOD Single : A 100 TYR OH : rot 165:sc= -1.19 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -7.785 -1.260 8.568 1.00 0.00 N ATOM 67 CA LEU A 8 -6.850 -0.628 7.652 1.00 0.00 C ATOM 68 C LEU A 8 -5.708 0.003 8.451 1.00 0.00 C ATOM 69 O LEU A 8 -4.537 -0.199 8.131 1.00 0.00 O ATOM 70 CB LEU A 8 -7.580 0.358 6.738 1.00 0.00 C ATOM 71 CG LEU A 8 -8.600 -0.249 5.773 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.282 0.837 4.940 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.953 -1.323 4.896 1.00 0.00 C ATOM 0 HA LEU A 8 -6.404 -1.370 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.092 1.090 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.836 0.901 6.155 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.377 -0.738 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.002 0.378 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.799 1.532 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.532 1.376 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.700 -1.738 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.144 -0.880 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.554 -2.117 5.528 1.00 0.00 H new ATOM 85 N HIS A 9 -6.088 0.754 9.474 1.00 0.00 N ATOM 86 CA HIS A 9 -5.109 1.416 10.320 1.00 0.00 C ATOM 87 C HIS A 9 -4.171 0.373 10.931 1.00 0.00 C ATOM 88 O HIS A 9 -3.001 0.659 11.185 1.00 0.00 O ATOM 89 CB HIS A 9 -5.801 2.282 11.375 1.00 0.00 C ATOM 90 CG HIS A 9 -4.962 2.541 12.603 1.00 0.00 C ATOM 91 ND1 HIS A 9 -4.295 1.680 13.425 1.00 0.00 N flip ATOM 92 CD2 HIS A 9 -4.738 3.812 13.104 1.00 0.00 C flip ATOM 93 CE1 HIS A 9 -3.696 2.387 14.376 1.00 0.00 C flip ATOM 94 NE2 HIS A 9 -3.970 3.709 14.179 1.00 0.00 N flip ATOM 0 H HIS A 9 -7.060 0.919 9.736 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.501 2.093 9.720 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.073 3.237 10.925 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.729 1.796 11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.124 4.731 12.689 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.091 1.982 15.174 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.641 4.482 14.758 1.00 0.00 H new ATOM 102 N ARG A 10 -4.718 -0.813 11.150 1.00 0.00 N ATOM 103 CA ARG A 10 -3.944 -1.899 11.726 1.00 0.00 C ATOM 104 C ARG A 10 -3.006 -2.499 10.676 1.00 0.00 C ATOM 105 O ARG A 10 -1.857 -2.819 10.976 1.00 0.00 O ATOM 106 CB ARG A 10 -4.859 -2.999 12.270 1.00 0.00 C ATOM 107 CG ARG A 10 -4.199 -4.374 12.142 1.00 0.00 C ATOM 108 CD ARG A 10 -2.819 -4.382 12.802 1.00 0.00 C ATOM 109 NE ARG A 10 -2.844 -5.226 14.018 1.00 0.00 N ATOM 110 CZ ARG A 10 -2.936 -6.563 14.002 1.00 0.00 C ATOM 111 NH1 ARG A 10 -3.011 -7.216 12.835 1.00 0.00 N ATOM 112 NH2 ARG A 10 -2.952 -7.247 15.155 1.00 0.00 N ATOM 0 H ARG A 10 -5.688 -1.046 10.939 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.358 -1.488 12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.092 -2.799 13.316 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.804 -2.993 11.726 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.832 -5.130 12.606 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.104 -4.640 11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.074 -4.761 12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.525 -3.365 13.061 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.788 -4.761 14.924 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.998 -6.696 11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.081 -8.234 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.894 -6.750 16.044 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.022 -8.265 15.143 1.00 0.00 H new ATOM 126 N ILE A 11 -3.532 -2.631 9.467 1.00 0.00 N ATOM 127 CA ILE A 11 -2.755 -3.186 8.371 1.00 0.00 C ATOM 128 C ILE A 11 -1.591 -2.247 8.049 1.00 0.00 C ATOM 129 O ILE A 11 -0.433 -2.661 8.062 1.00 0.00 O ATOM 130 CB ILE A 11 -3.658 -3.481 7.171 1.00 0.00 C ATOM 131 CG1 ILE A 11 -4.639 -4.612 7.487 1.00 0.00 C ATOM 132 CG2 ILE A 11 -2.828 -3.775 5.920 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.013 -4.332 6.876 1.00 0.00 C ATOM 0 H ILE A 11 -4.485 -2.364 9.222 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.321 -4.144 8.658 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.251 -2.590 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.250 -5.554 7.100 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.733 -4.725 8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.494 -3.981 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.206 -2.912 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.192 -4.642 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.691 -5.151 7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.409 -3.402 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.919 -4.244 5.794 1.00 0.00 H new ATOM 145 N VAL A 12 -1.940 -1.000 7.768 1.00 0.00 N ATOM 146 CA VAL A 12 -0.938 0.002 7.444 1.00 0.00 C ATOM 147 C VAL A 12 0.257 -0.155 8.385 1.00 0.00 C ATOM 148 O VAL A 12 1.392 -0.305 7.935 1.00 0.00 O ATOM 149 CB VAL A 12 -1.560 1.399 7.494 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.532 2.470 7.124 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.790 1.484 6.588 1.00 0.00 C ATOM 0 H VAL A 12 -2.902 -0.661 7.758 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.571 -0.139 6.427 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.884 1.585 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.000 3.454 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.301 2.433 7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.164 2.287 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.213 2.487 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.500 1.267 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.534 0.758 6.916 1.00 0.00 H new ATOM 161 N ASP A 13 -0.038 -0.114 9.676 1.00 0.00 N ATOM 162 CA ASP A 13 0.998 -0.249 10.686 1.00 0.00 C ATOM 163 C ASP A 13 1.916 -1.416 10.315 1.00 0.00 C ATOM 164 O ASP A 13 3.134 -1.256 10.250 1.00 0.00 O ATOM 165 CB ASP A 13 0.394 -0.542 12.060 1.00 0.00 C ATOM 166 CG ASP A 13 -0.132 0.683 12.810 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.514 1.746 12.683 1.00 0.00 O ATOM 168 OD2 ASP A 13 -1.167 0.530 13.494 1.00 0.00 O ATOM 0 H ASP A 13 -0.980 0.011 10.046 1.00 0.00 H new ATOM 0 HA ASP A 13 1.551 0.689 10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.423 -1.252 11.937 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.150 -1.029 12.676 1.00 0.00 H new ATOM 173 N LYS A 14 1.297 -2.564 10.082 1.00 0.00 N ATOM 174 CA LYS A 14 2.043 -3.756 9.719 1.00 0.00 C ATOM 175 C LYS A 14 2.883 -3.468 8.473 1.00 0.00 C ATOM 176 O LYS A 14 4.085 -3.731 8.456 1.00 0.00 O ATOM 177 CB LYS A 14 1.100 -4.951 9.562 1.00 0.00 C ATOM 178 CG LYS A 14 1.549 -6.123 10.437 1.00 0.00 C ATOM 179 CD LYS A 14 0.348 -6.810 11.091 1.00 0.00 C ATOM 180 CE LYS A 14 0.798 -7.748 12.213 1.00 0.00 C ATOM 181 NZ LYS A 14 0.036 -9.016 12.165 1.00 0.00 N ATOM 0 H LYS A 14 0.287 -2.694 10.138 1.00 0.00 H new ATOM 0 HA LYS A 14 2.736 -4.028 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.086 -4.657 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.072 -5.262 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.100 -6.843 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.232 -5.766 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.332 -6.058 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.206 -7.374 10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.864 -7.954 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.652 -7.265 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.354 -9.641 12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.978 -8.816 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.196 -9.483 11.250 1.00 0.00 H new ATOM 195 N MET A 15 2.218 -2.931 7.461 1.00 0.00 N ATOM 196 CA MET A 15 2.889 -2.604 6.214 1.00 0.00 C ATOM 197 C MET A 15 4.045 -1.631 6.452 1.00 0.00 C ATOM 198 O MET A 15 5.095 -1.743 5.821 1.00 0.00 O ATOM 199 CB MET A 15 1.885 -1.977 5.244 1.00 0.00 C ATOM 200 CG MET A 15 0.701 -2.914 4.999 1.00 0.00 C ATOM 201 SD MET A 15 -0.751 -1.964 4.579 1.00 0.00 S ATOM 202 CE MET A 15 -0.550 -1.856 2.809 1.00 0.00 C ATOM 0 H MET A 15 1.221 -2.714 7.479 1.00 0.00 H new ATOM 0 HA MET A 15 3.294 -3.522 5.789 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.527 -1.030 5.648 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.379 -1.754 4.298 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.937 -3.609 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.509 -3.512 5.890 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.183 -1.059 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.492 -1.639 2.574 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.836 -2.803 2.352 1.00 0.00 H new ATOM 212 N HIS A 16 3.814 -0.699 7.365 1.00 0.00 N ATOM 213 CA HIS A 16 4.824 0.293 7.694 1.00 0.00 C ATOM 214 C HIS A 16 6.121 -0.410 8.098 1.00 0.00 C ATOM 215 O HIS A 16 7.195 0.186 8.051 1.00 0.00 O ATOM 216 CB HIS A 16 4.311 1.254 8.768 1.00 0.00 C ATOM 217 CG HIS A 16 3.596 2.465 8.218 1.00 0.00 C ATOM 218 ND1 HIS A 16 2.559 2.564 7.337 1.00 0.00 N flip ATOM 219 CD2 HIS A 16 3.934 3.760 8.570 1.00 0.00 C flip ATOM 220 CE1 HIS A 16 2.279 3.850 7.162 1.00 0.00 C flip ATOM 221 NE2 HIS A 16 3.130 4.593 7.925 1.00 0.00 N flip ATOM 0 H HIS A 16 2.942 -0.610 7.887 1.00 0.00 H new ATOM 0 HA HIS A 16 5.040 0.903 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.634 0.715 9.430 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.153 1.587 9.375 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.720 4.044 9.254 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.504 4.243 6.520 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.145 5.611 7.988 1.00 0.00 H new ATOM 229 N ASP A 17 5.978 -1.669 8.487 1.00 0.00 N ATOM 230 CA ASP A 17 7.125 -2.460 8.899 1.00 0.00 C ATOM 231 C ASP A 17 7.738 -3.138 7.673 1.00 0.00 C ATOM 232 O ASP A 17 7.088 -3.261 6.636 1.00 0.00 O ATOM 233 CB ASP A 17 6.714 -3.552 9.888 1.00 0.00 C ATOM 234 CG ASP A 17 7.802 -3.971 10.878 1.00 0.00 C ATOM 235 OD1 ASP A 17 7.921 -3.284 11.916 1.00 0.00 O ATOM 236 OD2 ASP A 17 8.491 -4.969 10.575 1.00 0.00 O ATOM 0 H ASP A 17 5.085 -2.160 8.525 1.00 0.00 H new ATOM 0 HA ASP A 17 7.841 -1.792 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.847 -3.205 10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.398 -4.430 9.325 1.00 0.00 H new ATOM 241 N THR A 18 8.984 -3.562 7.831 1.00 0.00 N ATOM 242 CA THR A 18 9.692 -4.225 6.750 1.00 0.00 C ATOM 243 C THR A 18 9.916 -5.701 7.085 1.00 0.00 C ATOM 244 O THR A 18 10.075 -6.528 6.188 1.00 0.00 O ATOM 245 CB THR A 18 10.990 -3.456 6.494 1.00 0.00 C ATOM 246 OG1 THR A 18 11.547 -4.089 5.345 1.00 0.00 O ATOM 247 CG2 THR A 18 12.033 -3.687 7.589 1.00 0.00 C ATOM 0 H THR A 18 9.521 -3.459 8.692 1.00 0.00 H new ATOM 0 HA THR A 18 9.106 -4.218 5.831 1.00 0.00 H new ATOM 0 HB THR A 18 10.772 -2.391 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.391 -3.652 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.934 -3.119 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.632 -3.359 8.548 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.277 -4.748 7.641 1.00 0.00 H new ATOM 255 N SER A 19 9.922 -5.987 8.379 1.00 0.00 N ATOM 256 CA SER A 19 10.123 -7.348 8.844 1.00 0.00 C ATOM 257 C SER A 19 8.821 -8.142 8.720 1.00 0.00 C ATOM 258 O SER A 19 8.733 -9.077 7.926 1.00 0.00 O ATOM 259 CB SER A 19 10.622 -7.369 10.290 1.00 0.00 C ATOM 260 OG SER A 19 12.017 -7.648 10.370 1.00 0.00 O ATOM 0 H SER A 19 9.791 -5.298 9.120 1.00 0.00 H new ATOM 0 HA SER A 19 10.885 -7.813 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.418 -6.406 10.758 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.069 -8.121 10.853 1.00 0.00 H new ATOM 0 HG SER A 19 12.297 -7.651 11.309 1.00 0.00 H new ATOM 266 N THR A 20 7.842 -7.740 9.517 1.00 0.00 N ATOM 267 CA THR A 20 6.549 -8.402 9.506 1.00 0.00 C ATOM 268 C THR A 20 5.603 -7.708 8.524 1.00 0.00 C ATOM 269 O THR A 20 4.492 -8.180 8.288 1.00 0.00 O ATOM 270 CB THR A 20 6.021 -8.430 10.942 1.00 0.00 C ATOM 271 OG1 THR A 20 5.540 -7.107 11.161 1.00 0.00 O ATOM 272 CG2 THR A 20 7.138 -8.596 11.974 1.00 0.00 C ATOM 0 H THR A 20 7.918 -6.964 10.175 1.00 0.00 H new ATOM 0 HA THR A 20 6.634 -9.430 9.155 1.00 0.00 H new ATOM 0 HB THR A 20 5.305 -9.244 11.049 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.178 -7.037 12.069 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.709 -8.610 12.976 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.665 -9.533 11.792 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.837 -7.764 11.890 1.00 0.00 H new ATOM 280 N GLY A 21 6.078 -6.598 7.979 1.00 0.00 N ATOM 281 CA GLY A 21 5.288 -5.834 7.028 1.00 0.00 C ATOM 282 C GLY A 21 5.587 -6.270 5.592 1.00 0.00 C ATOM 283 O GLY A 21 6.171 -7.330 5.370 1.00 0.00 O ATOM 0 H GLY A 21 7.000 -6.209 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.227 -5.969 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.503 -4.771 7.142 1.00 0.00 H new ATOM 287 N ILE A 22 5.174 -5.430 4.654 1.00 0.00 N ATOM 288 CA ILE A 22 5.390 -5.715 3.246 1.00 0.00 C ATOM 289 C ILE A 22 6.866 -5.497 2.907 1.00 0.00 C ATOM 290 O ILE A 22 7.650 -5.089 3.763 1.00 0.00 O ATOM 291 CB ILE A 22 4.433 -4.893 2.380 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.304 -5.498 0.980 1.00 0.00 C ATOM 293 CG2 ILE A 22 4.859 -3.425 2.333 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.853 -5.461 0.498 1.00 0.00 C ATOM 0 H ILE A 22 4.691 -4.552 4.842 1.00 0.00 H new ATOM 0 HA ILE A 22 5.163 -6.759 3.029 1.00 0.00 H new ATOM 0 HB ILE A 22 3.444 -4.926 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.937 -4.948 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.661 -6.528 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.162 -2.864 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.857 -3.013 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.862 -3.350 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.790 -5.897 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.227 -6.032 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.507 -4.428 0.465 1.00 0.00 H new ATOM 306 N ARG A 23 7.201 -5.780 1.657 1.00 0.00 N ATOM 307 CA ARG A 23 8.569 -5.620 1.194 1.00 0.00 C ATOM 308 C ARG A 23 8.592 -4.914 -0.163 1.00 0.00 C ATOM 309 O ARG A 23 8.889 -5.532 -1.184 1.00 0.00 O ATOM 310 CB ARG A 23 9.270 -6.975 1.068 1.00 0.00 C ATOM 311 CG ARG A 23 8.450 -7.938 0.207 1.00 0.00 C ATOM 312 CD ARG A 23 9.176 -8.256 -1.102 1.00 0.00 C ATOM 313 NE ARG A 23 9.614 -9.670 -1.106 1.00 0.00 N ATOM 314 CZ ARG A 23 8.824 -10.700 -1.440 1.00 0.00 C ATOM 315 NH1 ARG A 23 7.551 -10.480 -1.797 1.00 0.00 N ATOM 316 NH2 ARG A 23 9.307 -11.950 -1.415 1.00 0.00 N ATOM 0 H ARG A 23 6.549 -6.119 0.950 1.00 0.00 H new ATOM 0 HA ARG A 23 9.099 -5.016 1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.257 -6.838 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.420 -7.405 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.267 -8.860 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.476 -7.498 -0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.516 -8.069 -1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.038 -7.599 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 23 10.577 -9.873 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.183 -9.529 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.950 -11.264 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.275 -12.117 -1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.706 -12.734 -1.669 1.00 0.00 H new ATOM 330 N PRO A 24 8.266 -3.594 -0.129 1.00 0.00 N ATOM 331 CA PRO A 24 8.246 -2.796 -1.343 1.00 0.00 C ATOM 332 C PRO A 24 9.666 -2.469 -1.807 1.00 0.00 C ATOM 333 O PRO A 24 10.057 -1.303 -1.846 1.00 0.00 O ATOM 334 CB PRO A 24 7.437 -1.560 -0.989 1.00 0.00 C ATOM 335 CG PRO A 24 7.428 -1.488 0.530 1.00 0.00 C ATOM 336 CD PRO A 24 7.908 -2.829 1.062 1.00 0.00 C ATOM 0 HA PRO A 24 7.795 -3.322 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.884 -0.664 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.423 -1.631 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.077 -0.685 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.425 -1.269 0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.763 -2.708 1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.128 -3.330 1.635 1.00 0.00 H new ATOM 529 N THR A 37 8.394 0.248 -4.766 1.00 0.00 N ATOM 530 CA THR A 37 6.989 -0.106 -4.874 1.00 0.00 C ATOM 531 C THR A 37 6.812 -1.622 -4.762 1.00 0.00 C ATOM 532 O THR A 37 7.736 -2.382 -5.048 1.00 0.00 O ATOM 533 CB THR A 37 6.456 0.473 -6.186 1.00 0.00 C ATOM 534 OG1 THR A 37 7.627 0.716 -6.960 1.00 0.00 O ATOM 535 CG2 THR A 37 5.834 1.859 -6.004 1.00 0.00 C ATOM 0 HA THR A 37 6.409 0.319 -4.055 1.00 0.00 H new ATOM 0 HB THR A 37 5.714 -0.205 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.415 0.400 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.472 2.224 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.002 1.795 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.585 2.546 -5.614 1.00 0.00 H new ATOM 543 N PHE A 38 5.617 -2.016 -4.345 1.00 0.00 N ATOM 544 CA PHE A 38 5.307 -3.427 -4.192 1.00 0.00 C ATOM 545 C PHE A 38 4.230 -3.863 -5.188 1.00 0.00 C ATOM 546 O PHE A 38 3.208 -3.194 -5.335 1.00 0.00 O ATOM 547 CB PHE A 38 4.775 -3.616 -2.769 1.00 0.00 C ATOM 548 CG PHE A 38 3.486 -2.845 -2.479 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.280 -3.407 -2.759 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.546 -1.597 -1.941 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.083 -2.692 -2.490 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.350 -0.882 -1.672 1.00 0.00 C ATOM 553 CZ PHE A 38 1.143 -1.444 -1.952 1.00 0.00 C ATOM 0 H PHE A 38 4.853 -1.383 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 38 6.199 -4.026 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.598 -4.678 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.542 -3.301 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.232 -4.398 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.504 -1.150 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.125 -3.139 -2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.398 0.109 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.233 -0.900 -1.747 1.00 0.00 H new ATOM 563 N LEU A 39 4.496 -4.982 -5.846 1.00 0.00 N ATOM 564 CA LEU A 39 3.563 -5.515 -6.824 1.00 0.00 C ATOM 565 C LEU A 39 2.184 -5.665 -6.177 1.00 0.00 C ATOM 566 O LEU A 39 2.073 -5.745 -4.955 1.00 0.00 O ATOM 567 CB LEU A 39 4.103 -6.812 -7.428 1.00 0.00 C ATOM 568 CG LEU A 39 5.559 -6.779 -7.897 1.00 0.00 C ATOM 569 CD1 LEU A 39 5.937 -8.080 -8.608 1.00 0.00 C ATOM 570 CD2 LEU A 39 5.827 -5.550 -8.768 1.00 0.00 C ATOM 0 H LEU A 39 5.344 -5.534 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 39 3.451 -4.824 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.999 -7.605 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.475 -7.083 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 39 6.199 -6.696 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.977 -8.029 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.810 -8.919 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.294 -8.220 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.869 -5.551 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.179 -5.576 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.625 -4.646 -8.194 1.00 0.00 H new ATOM 582 N GLY A 40 1.168 -5.698 -7.027 1.00 0.00 N ATOM 583 CA GLY A 40 -0.198 -5.837 -6.554 1.00 0.00 C ATOM 584 C GLY A 40 -0.430 -7.222 -5.945 1.00 0.00 C ATOM 585 O GLY A 40 -1.217 -7.369 -5.011 1.00 0.00 O ATOM 0 H GLY A 40 1.264 -5.631 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.409 -5.069 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.891 -5.679 -7.381 1.00 0.00 H new ATOM 589 N SER A 41 0.270 -8.201 -6.498 1.00 0.00 N ATOM 590 CA SER A 41 0.151 -9.568 -6.021 1.00 0.00 C ATOM 591 C SER A 41 0.841 -9.710 -4.663 1.00 0.00 C ATOM 592 O SER A 41 0.390 -10.475 -3.811 1.00 0.00 O ATOM 593 CB SER A 41 0.748 -10.556 -7.025 1.00 0.00 C ATOM 594 OG SER A 41 -0.064 -11.718 -7.178 1.00 0.00 O ATOM 0 H SER A 41 0.922 -8.075 -7.272 1.00 0.00 H new ATOM 0 HA SER A 41 -0.908 -9.800 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.864 -10.065 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.744 -10.851 -6.695 1.00 0.00 H new ATOM 0 HG SER A 41 0.350 -12.323 -7.828 1.00 0.00 H new ATOM 600 N SER A 42 1.923 -8.962 -4.503 1.00 0.00 N ATOM 601 CA SER A 42 2.679 -8.995 -3.263 1.00 0.00 C ATOM 602 C SER A 42 1.785 -8.579 -2.093 1.00 0.00 C ATOM 603 O SER A 42 1.756 -9.246 -1.060 1.00 0.00 O ATOM 604 CB SER A 42 3.907 -8.086 -3.342 1.00 0.00 C ATOM 605 OG SER A 42 5.024 -8.637 -2.650 1.00 0.00 O ATOM 0 H SER A 42 2.294 -8.329 -5.212 1.00 0.00 H new ATOM 0 HA SER A 42 3.026 -10.016 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.172 -7.924 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.664 -7.111 -2.920 1.00 0.00 H new ATOM 0 HG SER A 42 5.788 -8.028 -2.725 1.00 0.00 H new ATOM 611 N LEU A 43 1.076 -7.477 -2.295 1.00 0.00 N ATOM 612 CA LEU A 43 0.183 -6.964 -1.270 1.00 0.00 C ATOM 613 C LEU A 43 -0.880 -8.016 -0.952 1.00 0.00 C ATOM 614 O LEU A 43 -1.104 -8.346 0.212 1.00 0.00 O ATOM 615 CB LEU A 43 -0.396 -5.612 -1.692 1.00 0.00 C ATOM 616 CG LEU A 43 -1.557 -5.086 -0.846 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.254 -5.226 0.647 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.905 -3.646 -1.227 1.00 0.00 C ATOM 0 H LEU A 43 1.102 -6.926 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 43 0.731 -6.776 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.406 -4.874 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.732 -5.690 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.436 -5.696 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.095 -4.845 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.093 -6.277 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.357 -4.656 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.733 -3.297 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.037 -3.007 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.193 -3.607 -2.278 1.00 0.00 H new ATOM 630 N VAL A 44 -1.508 -8.514 -2.007 1.00 0.00 N ATOM 631 CA VAL A 44 -2.543 -9.523 -1.855 1.00 0.00 C ATOM 632 C VAL A 44 -2.014 -10.663 -0.982 1.00 0.00 C ATOM 633 O VAL A 44 -2.402 -10.792 0.178 1.00 0.00 O ATOM 634 CB VAL A 44 -3.020 -9.995 -3.230 1.00 0.00 C ATOM 635 CG1 VAL A 44 -3.839 -11.282 -3.115 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.817 -8.899 -3.940 1.00 0.00 C ATOM 0 H VAL A 44 -1.320 -8.238 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.413 -9.104 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.139 -10.212 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.166 -11.595 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.225 -12.065 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.711 -11.103 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.144 -9.261 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.688 -8.636 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.188 -8.019 -4.072 1.00 0.00 H new ATOM 646 N ASP A 45 -1.137 -11.460 -1.574 1.00 0.00 N ATOM 647 CA ASP A 45 -0.550 -12.585 -0.864 1.00 0.00 C ATOM 648 C ASP A 45 -0.235 -12.167 0.573 1.00 0.00 C ATOM 649 O ASP A 45 -0.482 -12.923 1.512 1.00 0.00 O ATOM 650 CB ASP A 45 0.756 -13.032 -1.524 1.00 0.00 C ATOM 651 CG ASP A 45 1.119 -14.502 -1.307 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.543 -15.342 -2.032 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.965 -14.753 -0.422 1.00 0.00 O ATOM 0 H ASP A 45 -0.818 -11.350 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.265 -13.408 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.687 -12.845 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.568 -12.413 -1.144 1.00 0.00 H new ATOM 658 N TRP A 46 0.306 -10.964 0.701 1.00 0.00 N ATOM 659 CA TRP A 46 0.658 -10.437 2.009 1.00 0.00 C ATOM 660 C TRP A 46 -0.624 -10.336 2.838 1.00 0.00 C ATOM 661 O TRP A 46 -0.794 -11.064 3.815 1.00 0.00 O ATOM 662 CB TRP A 46 1.394 -9.102 1.882 1.00 0.00 C ATOM 663 CG TRP A 46 1.885 -8.533 3.214 1.00 0.00 C ATOM 664 CD1 TRP A 46 3.038 -8.789 3.846 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.185 -7.594 4.058 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.133 -8.088 5.031 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.970 -7.337 5.163 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.069 -6.981 3.892 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.589 -6.464 6.189 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.436 -6.111 4.926 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.342 -5.843 6.045 1.00 0.00 C ATOM 0 H TRP A 46 0.509 -10.339 -0.079 1.00 0.00 H new ATOM 0 HA TRP A 46 1.352 -11.104 2.520 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.248 -9.232 1.217 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.731 -8.376 1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.798 -9.460 3.475 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.912 -8.116 5.689 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.699 -7.166 3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.222 -6.280 7.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.391 -5.613 4.848 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.013 -5.158 6.801 1.00 0.00 H new ATOM 682 N LEU A 47 -1.493 -9.428 2.418 1.00 0.00 N ATOM 683 CA LEU A 47 -2.754 -9.223 3.110 1.00 0.00 C ATOM 684 C LEU A 47 -3.298 -10.573 3.581 1.00 0.00 C ATOM 685 O LEU A 47 -3.698 -10.717 4.735 1.00 0.00 O ATOM 686 CB LEU A 47 -3.728 -8.441 2.227 1.00 0.00 C ATOM 687 CG LEU A 47 -3.600 -6.917 2.272 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.361 -6.269 1.114 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.047 -6.370 3.629 1.00 0.00 C ATOM 0 H LEU A 47 -1.349 -8.826 1.607 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.605 -8.611 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.594 -8.767 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.744 -8.709 2.516 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.548 -6.658 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.254 -5.186 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.956 -6.626 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.417 -6.533 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.946 -5.285 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.089 -6.639 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.425 -6.796 4.416 1.00 0.00 H new ATOM 701 N ILE A 48 -3.295 -11.529 2.664 1.00 0.00 N ATOM 702 CA ILE A 48 -3.783 -12.863 2.970 1.00 0.00 C ATOM 703 C ILE A 48 -2.896 -13.491 4.047 1.00 0.00 C ATOM 704 O ILE A 48 -3.383 -13.883 5.107 1.00 0.00 O ATOM 705 CB ILE A 48 -3.889 -13.701 1.695 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.737 -12.988 0.639 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.418 -15.103 2.003 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.522 -13.606 -0.744 1.00 0.00 C ATOM 0 H ILE A 48 -2.962 -11.406 1.708 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.793 -12.815 3.376 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.888 -13.818 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.791 -13.051 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.478 -11.930 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.484 -15.678 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.741 -15.604 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.407 -15.028 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.136 -13.081 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.472 -13.519 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.805 -14.658 -0.720 1.00 0.00 H new ATOM 720 N SER A 49 -1.610 -13.567 3.739 1.00 0.00 N ATOM 721 CA SER A 49 -0.650 -14.140 4.667 1.00 0.00 C ATOM 722 C SER A 49 -0.748 -13.437 6.022 1.00 0.00 C ATOM 723 O SER A 49 -0.458 -14.034 7.057 1.00 0.00 O ATOM 724 CB SER A 49 0.775 -14.040 4.118 1.00 0.00 C ATOM 725 OG SER A 49 1.753 -14.271 5.128 1.00 0.00 O ATOM 0 H SER A 49 -1.210 -13.241 2.859 1.00 0.00 H new ATOM 0 HA SER A 49 -0.887 -15.196 4.795 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.906 -14.765 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.928 -13.052 3.684 1.00 0.00 H new ATOM 0 HG SER A 49 2.649 -14.200 4.738 1.00 0.00 H new ATOM 731 N SER A 50 -1.156 -12.177 5.971 1.00 0.00 N ATOM 732 CA SER A 50 -1.295 -11.386 7.181 1.00 0.00 C ATOM 733 C SER A 50 -2.605 -11.739 7.889 1.00 0.00 C ATOM 734 O SER A 50 -2.808 -11.371 9.045 1.00 0.00 O ATOM 735 CB SER A 50 -1.247 -9.889 6.869 1.00 0.00 C ATOM 736 OG SER A 50 -0.003 -9.504 6.291 1.00 0.00 O ATOM 0 H SER A 50 -1.395 -11.685 5.110 1.00 0.00 H new ATOM 0 HA SER A 50 -0.459 -11.619 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.058 -9.635 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.412 -9.322 7.785 1.00 0.00 H new ATOM 0 HG SER A 50 -0.154 -8.792 5.634 1.00 0.00 H new ATOM 742 N ASN A 51 -3.459 -12.447 7.166 1.00 0.00 N ATOM 743 CA ASN A 51 -4.744 -12.854 7.711 1.00 0.00 C ATOM 744 C ASN A 51 -5.729 -11.688 7.606 1.00 0.00 C ATOM 745 O ASN A 51 -6.722 -11.644 8.330 1.00 0.00 O ATOM 746 CB ASN A 51 -4.620 -13.238 9.186 1.00 0.00 C ATOM 747 CG ASN A 51 -5.773 -14.146 9.616 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.708 -14.399 8.873 1.00 0.00 O ATOM 749 ND2 ASN A 51 -5.657 -14.621 10.852 1.00 0.00 N ATOM 0 H ASN A 51 -3.287 -12.750 6.207 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.094 -13.716 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.670 -13.746 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.613 -12.338 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.376 -15.237 11.231 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.849 -14.370 11.421 1.00 0.00 H new ATOM 756 N PHE A 52 -5.420 -10.773 6.700 1.00 0.00 N ATOM 757 CA PHE A 52 -6.265 -9.610 6.492 1.00 0.00 C ATOM 758 C PHE A 52 -7.313 -9.880 5.410 1.00 0.00 C ATOM 759 O PHE A 52 -8.341 -9.207 5.355 1.00 0.00 O ATOM 760 CB PHE A 52 -5.354 -8.471 6.029 1.00 0.00 C ATOM 761 CG PHE A 52 -4.408 -7.951 7.114 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.848 -7.822 8.395 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.128 -7.618 6.797 1.00 0.00 C ATOM 764 CE1 PHE A 52 -3.970 -7.340 9.401 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.251 -7.135 7.804 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.690 -7.007 9.085 1.00 0.00 C ATOM 0 H PHE A 52 -4.595 -10.813 6.101 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.789 -9.362 7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.763 -8.814 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.972 -7.646 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.865 -8.086 8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.779 -7.721 5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.319 -7.238 10.418 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.235 -6.869 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.022 -6.641 9.851 1.00 0.00 H new ATOM 776 N ALA A 53 -7.015 -10.866 4.577 1.00 0.00 N ATOM 777 CA ALA A 53 -7.919 -11.234 3.499 1.00 0.00 C ATOM 778 C ALA A 53 -8.120 -12.751 3.504 1.00 0.00 C ATOM 779 O ALA A 53 -7.298 -13.488 4.046 1.00 0.00 O ATOM 780 CB ALA A 53 -7.361 -10.724 2.169 1.00 0.00 C ATOM 0 H ALA A 53 -6.161 -11.422 4.626 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.896 -10.772 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.038 -11.000 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.264 -9.639 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.382 -11.170 1.990 1.00 0.00 H new ATOM 786 N ALA A 54 -9.218 -13.171 2.893 1.00 0.00 N ATOM 787 CA ALA A 54 -9.538 -14.587 2.820 1.00 0.00 C ATOM 788 C ALA A 54 -9.092 -15.137 1.464 1.00 0.00 C ATOM 789 O ALA A 54 -8.617 -16.268 1.375 1.00 0.00 O ATOM 790 CB ALA A 54 -11.035 -14.785 3.066 1.00 0.00 C ATOM 0 H ALA A 54 -9.897 -12.556 2.444 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.005 -15.142 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.275 -15.847 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.295 -14.405 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.603 -14.245 2.308 1.00 0.00 H new ATOM 796 N SER A 55 -9.260 -14.311 0.442 1.00 0.00 N ATOM 797 CA SER A 55 -8.880 -14.700 -0.905 1.00 0.00 C ATOM 798 C SER A 55 -8.276 -13.505 -1.645 1.00 0.00 C ATOM 799 O SER A 55 -8.509 -12.356 -1.270 1.00 0.00 O ATOM 800 CB SER A 55 -10.079 -15.252 -1.678 1.00 0.00 C ATOM 801 OG SER A 55 -9.781 -16.492 -2.313 1.00 0.00 O ATOM 0 H SER A 55 -9.654 -13.374 0.520 1.00 0.00 H new ATOM 0 HA SER A 55 -8.133 -15.490 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.919 -15.387 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.391 -14.526 -2.429 1.00 0.00 H new ATOM 0 HG SER A 55 -10.573 -16.812 -2.794 1.00 0.00 H new ATOM 807 N ARG A 56 -7.514 -13.815 -2.683 1.00 0.00 N ATOM 808 CA ARG A 56 -6.875 -12.781 -3.479 1.00 0.00 C ATOM 809 C ARG A 56 -7.818 -11.588 -3.654 1.00 0.00 C ATOM 810 O ARG A 56 -7.373 -10.442 -3.696 1.00 0.00 O ATOM 811 CB ARG A 56 -6.477 -13.313 -4.857 1.00 0.00 C ATOM 812 CG ARG A 56 -5.066 -13.904 -4.829 1.00 0.00 C ATOM 813 CD ARG A 56 -5.102 -15.419 -5.036 1.00 0.00 C ATOM 814 NE ARG A 56 -5.170 -16.108 -3.728 1.00 0.00 N ATOM 815 CZ ARG A 56 -5.412 -17.417 -3.580 1.00 0.00 C ATOM 816 NH1 ARG A 56 -5.611 -18.188 -4.658 1.00 0.00 N ATOM 817 NH2 ARG A 56 -5.455 -17.956 -2.354 1.00 0.00 N ATOM 0 H ARG A 56 -7.324 -14.769 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.976 -12.464 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.188 -14.075 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.523 -12.507 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.459 -13.441 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.591 -13.675 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.965 -15.691 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.214 -15.741 -5.580 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.023 -15.551 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.578 -17.778 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.795 -19.185 -4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.303 -17.369 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.639 -18.953 -2.241 1.00 0.00 H new ATOM 831 N LEU A 57 -9.102 -11.899 -3.750 1.00 0.00 N ATOM 832 CA LEU A 57 -10.111 -10.867 -3.919 1.00 0.00 C ATOM 833 C LEU A 57 -10.090 -9.936 -2.705 1.00 0.00 C ATOM 834 O LEU A 57 -9.723 -8.767 -2.820 1.00 0.00 O ATOM 835 CB LEU A 57 -11.480 -11.495 -4.189 1.00 0.00 C ATOM 836 CG LEU A 57 -12.370 -10.757 -5.191 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.078 -9.574 -4.529 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.571 -10.330 -6.424 1.00 0.00 C ATOM 0 H LEU A 57 -9.467 -12.851 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.888 -10.256 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.326 -12.512 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.016 -11.570 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.144 -11.445 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.704 -9.067 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.700 -9.934 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.336 -8.876 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.227 -9.808 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.761 -9.666 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.154 -11.212 -6.911 1.00 0.00 H new ATOM 850 N GLU A 58 -10.490 -10.488 -1.569 1.00 0.00 N ATOM 851 CA GLU A 58 -10.522 -9.722 -0.335 1.00 0.00 C ATOM 852 C GLU A 58 -9.277 -8.839 -0.225 1.00 0.00 C ATOM 853 O GLU A 58 -9.371 -7.668 0.137 1.00 0.00 O ATOM 854 CB GLU A 58 -10.649 -10.643 0.880 1.00 0.00 C ATOM 855 CG GLU A 58 -12.054 -11.243 0.968 1.00 0.00 C ATOM 856 CD GLU A 58 -13.118 -10.203 0.611 1.00 0.00 C ATOM 857 OE1 GLU A 58 -13.462 -9.410 1.514 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.562 -10.224 -0.557 1.00 0.00 O ATOM 0 H GLU A 58 -10.795 -11.457 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.401 -9.077 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.912 -11.443 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.431 -10.083 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.132 -12.095 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.231 -11.618 1.976 1.00 0.00 H new ATOM 865 N ALA A 59 -8.138 -9.436 -0.546 1.00 0.00 N ATOM 866 CA ALA A 59 -6.875 -8.719 -0.488 1.00 0.00 C ATOM 867 C ALA A 59 -6.907 -7.558 -1.484 1.00 0.00 C ATOM 868 O ALA A 59 -6.490 -6.447 -1.162 1.00 0.00 O ATOM 869 CB ALA A 59 -5.724 -9.689 -0.760 1.00 0.00 C ATOM 0 H ALA A 59 -8.063 -10.408 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.718 -8.298 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.777 -9.151 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.728 -10.478 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.846 -10.130 -1.749 1.00 0.00 H new ATOM 875 N VAL A 60 -7.406 -7.856 -2.675 1.00 0.00 N ATOM 876 CA VAL A 60 -7.497 -6.851 -3.721 1.00 0.00 C ATOM 877 C VAL A 60 -8.339 -5.676 -3.220 1.00 0.00 C ATOM 878 O VAL A 60 -8.012 -4.519 -3.481 1.00 0.00 O ATOM 879 CB VAL A 60 -8.049 -7.478 -5.003 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.485 -6.400 -5.997 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.027 -8.425 -5.634 1.00 0.00 C ATOM 0 H VAL A 60 -7.751 -8.779 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.508 -6.463 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.929 -8.064 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.873 -6.873 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.263 -5.783 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.630 -5.775 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.444 -8.857 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.120 -7.871 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.787 -9.222 -4.931 1.00 0.00 H new ATOM 891 N THR A 61 -9.405 -6.013 -2.510 1.00 0.00 N ATOM 892 CA THR A 61 -10.296 -4.999 -1.971 1.00 0.00 C ATOM 893 C THR A 61 -9.630 -4.272 -0.802 1.00 0.00 C ATOM 894 O THR A 61 -9.733 -3.051 -0.686 1.00 0.00 O ATOM 895 CB THR A 61 -11.613 -5.681 -1.592 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.616 -4.805 -2.100 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.855 -5.688 -0.081 1.00 0.00 C ATOM 0 H THR A 61 -9.672 -6.974 -2.295 1.00 0.00 H new ATOM 0 HA THR A 61 -10.513 -4.229 -2.711 1.00 0.00 H new ATOM 0 HB THR A 61 -11.612 -6.706 -1.964 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.502 -5.172 -1.900 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.802 -6.183 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.045 -6.223 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.890 -4.662 0.287 1.00 0.00 H new ATOM 905 N LEU A 62 -8.962 -5.051 0.036 1.00 0.00 N ATOM 906 CA LEU A 62 -8.279 -4.496 1.192 1.00 0.00 C ATOM 907 C LEU A 62 -7.199 -3.521 0.721 1.00 0.00 C ATOM 908 O LEU A 62 -6.873 -2.563 1.422 1.00 0.00 O ATOM 909 CB LEU A 62 -7.748 -5.616 2.089 1.00 0.00 C ATOM 910 CG LEU A 62 -8.556 -5.901 3.356 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.139 -7.315 3.329 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.716 -5.651 4.610 1.00 0.00 C ATOM 0 H LEU A 62 -8.879 -6.063 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.975 -3.928 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.697 -6.532 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.728 -5.368 2.381 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.396 -5.207 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.709 -7.491 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.795 -7.422 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.329 -8.041 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.314 -5.861 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.843 -6.303 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.392 -4.611 4.629 1.00 0.00 H new ATOM 924 N ALA A 63 -6.672 -3.797 -0.463 1.00 0.00 N ATOM 925 CA ALA A 63 -5.635 -2.956 -1.036 1.00 0.00 C ATOM 926 C ALA A 63 -6.245 -1.618 -1.458 1.00 0.00 C ATOM 927 O ALA A 63 -5.828 -0.563 -0.981 1.00 0.00 O ATOM 928 CB ALA A 63 -4.971 -3.688 -2.204 1.00 0.00 C ATOM 0 H ALA A 63 -6.944 -4.592 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.860 -2.747 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.193 -3.057 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.528 -4.617 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.718 -3.912 -2.965 1.00 0.00 H new ATOM 934 N SER A 64 -7.224 -1.704 -2.347 1.00 0.00 N ATOM 935 CA SER A 64 -7.895 -0.512 -2.838 1.00 0.00 C ATOM 936 C SER A 64 -8.421 0.314 -1.663 1.00 0.00 C ATOM 937 O SER A 64 -8.439 1.542 -1.722 1.00 0.00 O ATOM 938 CB SER A 64 -9.040 -0.877 -3.786 1.00 0.00 C ATOM 939 OG SER A 64 -10.264 -1.089 -3.088 1.00 0.00 O ATOM 0 H SER A 64 -7.568 -2.580 -2.740 1.00 0.00 H new ATOM 0 HA SER A 64 -7.172 0.083 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.173 -0.080 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.778 -1.778 -4.341 1.00 0.00 H new ATOM 0 HG SER A 64 -10.121 -1.737 -2.367 1.00 0.00 H new ATOM 945 N MET A 65 -8.838 -0.394 -0.623 1.00 0.00 N ATOM 946 CA MET A 65 -9.363 0.259 0.564 1.00 0.00 C ATOM 947 C MET A 65 -8.302 1.149 1.215 1.00 0.00 C ATOM 948 O MET A 65 -8.617 2.222 1.728 1.00 0.00 O ATOM 949 CB MET A 65 -9.827 -0.800 1.566 1.00 0.00 C ATOM 950 CG MET A 65 -11.219 -1.323 1.206 1.00 0.00 C ATOM 951 SD MET A 65 -12.313 -1.163 2.607 1.00 0.00 S ATOM 952 CE MET A 65 -11.612 -2.397 3.690 1.00 0.00 C ATOM 0 H MET A 65 -8.823 -1.413 -0.578 1.00 0.00 H new ATOM 0 HA MET A 65 -10.204 0.886 0.269 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.117 -1.627 1.582 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.843 -0.374 2.569 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.617 -0.766 0.358 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.156 -2.367 0.901 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.414 -2.961 4.166 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.986 -3.076 3.111 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.008 -1.909 4.455 1.00 0.00 H new ATOM 962 N LEU A 66 -7.068 0.670 1.174 1.00 0.00 N ATOM 963 CA LEU A 66 -5.959 1.408 1.754 1.00 0.00 C ATOM 964 C LEU A 66 -5.687 2.656 0.911 1.00 0.00 C ATOM 965 O LEU A 66 -5.574 3.758 1.447 1.00 0.00 O ATOM 966 CB LEU A 66 -4.738 0.500 1.919 1.00 0.00 C ATOM 967 CG LEU A 66 -4.949 -0.759 2.762 1.00 0.00 C ATOM 968 CD1 LEU A 66 -4.145 -1.934 2.203 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.625 -0.493 4.234 1.00 0.00 C ATOM 0 H LEU A 66 -6.811 -0.221 0.748 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.212 1.749 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.398 0.198 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.934 1.083 2.368 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.002 -1.034 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.313 -2.816 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.464 -2.140 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.084 -1.684 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.783 -1.404 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.585 -0.180 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.276 0.295 4.613 1.00 0.00 H new ATOM 981 N MET A 67 -5.590 2.442 -0.392 1.00 0.00 N ATOM 982 CA MET A 67 -5.334 3.536 -1.314 1.00 0.00 C ATOM 983 C MET A 67 -6.362 4.655 -1.136 1.00 0.00 C ATOM 984 O MET A 67 -6.016 5.834 -1.183 1.00 0.00 O ATOM 985 CB MET A 67 -5.387 3.016 -2.752 1.00 0.00 C ATOM 986 CG MET A 67 -4.077 2.325 -3.134 1.00 0.00 C ATOM 987 SD MET A 67 -3.753 2.550 -4.875 1.00 0.00 S ATOM 988 CE MET A 67 -5.259 1.879 -5.559 1.00 0.00 C ATOM 0 H MET A 67 -5.684 1.527 -0.832 1.00 0.00 H new ATOM 0 HA MET A 67 -4.344 3.941 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.216 2.316 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.578 3.844 -3.435 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.255 2.735 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.136 1.262 -2.901 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.102 1.628 -6.608 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.540 0.981 -5.009 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.056 2.618 -5.479 1.00 0.00 H new ATOM 998 N GLU A 68 -7.606 4.245 -0.937 1.00 0.00 N ATOM 999 CA GLU A 68 -8.687 5.198 -0.752 1.00 0.00 C ATOM 1000 C GLU A 68 -8.481 5.991 0.540 1.00 0.00 C ATOM 1001 O GLU A 68 -8.578 7.217 0.542 1.00 0.00 O ATOM 1002 CB GLU A 68 -10.045 4.493 -0.752 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.702 4.567 -2.132 1.00 0.00 C ATOM 1004 CD GLU A 68 -12.023 5.336 -2.070 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.696 5.224 -1.023 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -12.331 6.018 -3.072 1.00 0.00 O ATOM 0 H GLU A 68 -7.889 3.266 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.677 5.896 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.917 3.450 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.697 4.953 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.026 5.054 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.881 3.560 -2.508 1.00 0.00 H new ATOM 1013 N GLU A 69 -8.202 5.258 1.608 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.982 5.877 2.904 1.00 0.00 C ATOM 1015 C GLU A 69 -6.789 6.834 2.839 1.00 0.00 C ATOM 1016 O GLU A 69 -6.575 7.628 3.754 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.778 4.819 3.990 1.00 0.00 C ATOM 1018 CG GLU A 69 -9.094 4.506 4.704 1.00 0.00 C ATOM 1019 CD GLU A 69 -9.290 5.418 5.917 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -8.358 6.205 6.192 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -10.367 5.308 6.541 1.00 0.00 O ATOM 0 H GLU A 69 -8.123 4.241 1.602 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.870 6.452 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.376 3.909 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.043 5.172 4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.926 4.632 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.100 3.464 5.023 1.00 0.00 H new ATOM 1028 N ASN A 70 -6.044 6.726 1.749 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.879 7.572 1.553 1.00 0.00 C ATOM 1030 C ASN A 70 -3.669 6.932 2.237 1.00 0.00 C ATOM 1031 O ASN A 70 -2.873 7.623 2.871 1.00 0.00 O ATOM 1032 CB ASN A 70 -5.093 8.956 2.168 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.354 10.032 1.369 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -3.136 10.088 1.333 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -5.157 10.879 0.732 1.00 0.00 N ATOM 0 H ASN A 70 -6.224 6.066 0.993 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.714 7.676 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.158 9.185 2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.741 8.958 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.761 11.633 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.169 10.775 0.805 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.569 5.620 2.086 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.470 4.879 2.682 1.00 0.00 C ATOM 1044 C PHE A 71 -1.489 4.399 1.610 1.00 0.00 C ATOM 1045 O PHE A 71 -0.319 4.153 1.901 1.00 0.00 O ATOM 1046 CB PHE A 71 -3.078 3.662 3.382 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.812 3.995 4.683 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.215 4.781 5.618 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -5.061 3.505 4.903 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.896 5.090 6.825 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.742 3.814 6.110 1.00 0.00 C ATOM 1052 CZ PHE A 71 -5.145 4.600 7.046 1.00 0.00 C ATOM 0 H PHE A 71 -4.231 5.050 1.559 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.924 5.517 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.773 3.173 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.285 2.946 3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.223 5.170 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.535 2.881 4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.422 5.714 7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.734 3.425 6.285 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.663 4.835 7.964 1.00 0.00 H new ATOM 1062 N LEU A 72 -2.001 4.280 0.394 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.185 3.833 -0.721 1.00 0.00 C ATOM 1064 C LEU A 72 -1.698 4.474 -2.012 1.00 0.00 C ATOM 1065 O LEU A 72 -2.738 5.132 -2.012 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.135 2.305 -0.771 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.285 1.574 -0.076 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.891 0.508 -0.992 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.833 0.988 1.263 1.00 0.00 C ATOM 0 H LEU A 72 -2.971 4.486 0.157 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.153 4.158 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.113 1.996 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.198 1.977 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.070 2.299 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.706 0.003 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.274 0.980 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.125 -0.220 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.670 0.474 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.021 0.281 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.486 1.791 1.913 1.00 0.00 H new ATOM 1081 N ARG A 73 -0.945 4.261 -3.081 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.311 4.810 -4.376 1.00 0.00 C ATOM 1083 C ARG A 73 -0.747 3.939 -5.500 1.00 0.00 C ATOM 1084 O ARG A 73 0.247 3.240 -5.310 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.789 6.239 -4.536 1.00 0.00 C ATOM 1086 CG ARG A 73 0.702 6.318 -4.202 1.00 0.00 C ATOM 1087 CD ARG A 73 0.918 6.792 -2.763 1.00 0.00 C ATOM 1088 NE ARG A 73 2.168 7.579 -2.672 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.353 8.767 -3.264 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.370 9.312 -3.994 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.520 9.410 -3.126 1.00 0.00 N ATOM 0 H ARG A 73 -0.083 3.716 -3.077 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.399 4.825 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.955 6.578 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.348 6.909 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.161 5.339 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.197 7.001 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.072 7.399 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.969 5.934 -2.092 1.00 0.00 H new ATOM 0 HE ARG A 73 2.937 7.193 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.481 8.823 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.511 10.216 -4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.268 8.995 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.661 10.314 -3.577 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.422 4.012 -6.678 1.00 0.00 N ATOM 1106 CA PRO A 74 -0.999 3.239 -7.834 1.00 0.00 C ATOM 1107 C PRO A 74 0.251 3.849 -8.473 1.00 0.00 C ATOM 1108 O PRO A 74 0.319 5.059 -8.680 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.200 3.234 -8.765 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.084 4.384 -8.312 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.603 4.830 -6.941 1.00 0.00 C ATOM 0 HA PRO A 74 -0.708 2.221 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.891 3.364 -9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.734 2.285 -8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.031 5.209 -9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.127 4.069 -8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.359 5.892 -6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.370 4.674 -6.182 1.00 0.00 H new ATOM 1361 N PHE A 92 -7.643 -2.047 -8.299 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.418 -2.717 -7.897 1.00 0.00 C ATOM 1363 C PHE A 92 -6.224 -4.019 -8.677 1.00 0.00 C ATOM 1364 O PHE A 92 -7.179 -4.566 -9.226 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.555 -3.043 -6.409 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.245 -3.471 -5.743 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.361 -2.530 -5.315 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.965 -4.792 -5.579 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.146 -2.927 -4.697 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.750 -5.189 -4.961 1.00 0.00 C ATOM 1371 CZ PHE A 92 -2.866 -4.248 -4.533 1.00 0.00 C ATOM 0 HA PHE A 92 -5.560 -2.075 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.946 -2.168 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.289 -3.839 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.583 -1.481 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.667 -5.539 -5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.444 -2.180 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.528 -6.238 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.942 -4.550 -4.063 1.00 0.00 H new ATOM 1381 N LEU A 93 -4.982 -4.478 -8.701 1.00 0.00 N ATOM 1382 CA LEU A 93 -4.650 -5.705 -9.404 1.00 0.00 C ATOM 1383 C LEU A 93 -3.923 -6.654 -8.450 1.00 0.00 C ATOM 1384 O LEU A 93 -3.448 -6.236 -7.395 1.00 0.00 O ATOM 1385 CB LEU A 93 -3.865 -5.396 -10.680 1.00 0.00 C ATOM 1386 CG LEU A 93 -4.401 -4.246 -11.536 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -3.327 -3.730 -12.496 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -5.677 -4.659 -12.272 1.00 0.00 C ATOM 0 H LEU A 93 -4.192 -4.022 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.557 -6.214 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.836 -5.167 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.838 -6.297 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.664 -3.421 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.734 -2.913 -13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.471 -3.371 -11.925 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.010 -4.538 -13.156 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.037 -3.824 -12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.464 -5.508 -12.922 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.441 -4.940 -11.547 1.00 0.00 H new ATOM 1400 N ASP A 94 -3.859 -7.914 -8.854 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.198 -8.926 -8.048 1.00 0.00 C ATOM 1402 C ASP A 94 -2.197 -9.691 -8.917 1.00 0.00 C ATOM 1403 O ASP A 94 -2.367 -10.884 -9.162 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.207 -9.933 -7.492 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.593 -11.201 -6.893 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.906 -11.064 -5.858 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.825 -12.277 -7.485 1.00 0.00 O ATOM 0 H ASP A 94 -4.254 -8.257 -9.729 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.697 -8.423 -7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.805 -9.440 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.889 -10.221 -8.292 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.175 -8.972 -9.358 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.147 -9.567 -10.194 1.00 0.00 C ATOM 1414 C ASP A 95 1.164 -8.802 -10.005 1.00 0.00 C ATOM 1415 O ASP A 95 1.247 -7.901 -9.172 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.529 -9.493 -11.673 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.550 -10.837 -12.404 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -0.332 -11.859 -11.718 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -0.783 -10.812 -13.632 1.00 0.00 O ATOM 0 H ASP A 95 -1.037 -7.983 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.038 -10.611 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.515 -9.036 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.172 -8.831 -12.181 1.00 0.00 H new ATOM 1424 N SER A 96 2.157 -9.190 -10.792 1.00 0.00 N ATOM 1425 CA SER A 96 3.460 -8.551 -10.722 1.00 0.00 C ATOM 1426 C SER A 96 3.392 -7.152 -11.338 1.00 0.00 C ATOM 1427 O SER A 96 4.057 -6.230 -10.868 1.00 0.00 O ATOM 1428 CB SER A 96 4.524 -9.392 -11.431 1.00 0.00 C ATOM 1429 OG SER A 96 4.759 -10.629 -10.764 1.00 0.00 O ATOM 0 H SER A 96 2.085 -9.939 -11.481 1.00 0.00 H new ATOM 0 HA SER A 96 3.742 -8.465 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.208 -9.587 -12.456 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.455 -8.827 -11.486 1.00 0.00 H new ATOM 0 HG SER A 96 5.443 -11.137 -11.248 1.00 0.00 H new ATOM 1435 N THR A 97 2.581 -7.038 -12.379 1.00 0.00 N ATOM 1436 CA THR A 97 2.417 -5.767 -13.064 1.00 0.00 C ATOM 1437 C THR A 97 1.364 -4.912 -12.355 1.00 0.00 C ATOM 1438 O THR A 97 0.249 -4.756 -12.851 1.00 0.00 O ATOM 1439 CB THR A 97 2.078 -6.059 -14.527 1.00 0.00 C ATOM 1440 OG1 THR A 97 0.885 -6.835 -14.459 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.094 -6.992 -15.188 1.00 0.00 C ATOM 0 H THR A 97 2.030 -7.805 -12.765 1.00 0.00 H new ATOM 0 HA THR A 97 3.336 -5.182 -13.039 1.00 0.00 H new ATOM 0 HB THR A 97 2.031 -5.122 -15.083 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.244 -6.397 -13.861 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.807 -7.167 -16.225 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.082 -6.534 -15.158 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.118 -7.941 -14.653 1.00 0.00 H new ATOM 1449 N ALA A 98 1.756 -4.379 -11.207 1.00 0.00 N ATOM 1450 CA ALA A 98 0.861 -3.544 -10.425 1.00 0.00 C ATOM 1451 C ALA A 98 1.613 -2.993 -9.212 1.00 0.00 C ATOM 1452 O ALA A 98 1.420 -3.462 -8.092 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.375 -4.353 -10.027 1.00 0.00 C ATOM 0 H ALA A 98 2.682 -4.509 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 98 0.518 -2.693 -11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.047 -3.726 -9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.890 -4.696 -10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.070 -5.214 -9.432 1.00 0.00 H new ATOM 1459 N LEU A 99 2.456 -2.005 -9.477 1.00 0.00 N ATOM 1460 CA LEU A 99 3.238 -1.386 -8.421 1.00 0.00 C ATOM 1461 C LEU A 99 2.307 -0.595 -7.499 1.00 0.00 C ATOM 1462 O LEU A 99 1.153 -0.345 -7.843 1.00 0.00 O ATOM 1463 CB LEU A 99 4.372 -0.548 -9.015 1.00 0.00 C ATOM 1464 CG LEU A 99 5.608 -1.323 -9.477 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.981 -2.411 -8.468 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.405 -1.890 -10.883 1.00 0.00 C ATOM 0 H LEU A 99 2.614 -1.618 -10.408 1.00 0.00 H new ATOM 0 HA LEU A 99 3.722 -2.147 -7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.978 0.009 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.684 0.184 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 99 6.448 -0.630 -9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.862 -2.947 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.196 -1.953 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.150 -3.109 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.298 -2.436 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.549 -2.565 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.223 -1.074 -11.582 1.00 0.00 H new ATOM 1478 N TYR A 100 2.843 -0.223 -6.346 1.00 0.00 N ATOM 1479 CA TYR A 100 2.075 0.534 -5.373 1.00 0.00 C ATOM 1480 C TYR A 100 2.980 1.084 -4.269 1.00 0.00 C ATOM 1481 O TYR A 100 3.876 0.390 -3.792 1.00 0.00 O ATOM 1482 CB TYR A 100 1.083 -0.455 -4.758 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.132 -0.748 -5.640 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.141 0.186 -5.756 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.218 -1.946 -6.320 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.285 -0.090 -6.587 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.362 -2.221 -7.150 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.339 -1.280 -7.243 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.419 -1.540 -8.028 1.00 0.00 O ATOM 0 H TYR A 100 3.801 -0.432 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 100 1.580 1.381 -5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.601 -1.391 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.738 -0.061 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.073 1.123 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.572 -2.677 -6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.082 0.632 -6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.442 -3.155 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.222 -2.300 -8.614 1.00 0.00 H new ATOM 1499 N THR A 101 2.714 2.327 -3.894 1.00 0.00 N ATOM 1500 CA THR A 101 3.493 2.979 -2.855 1.00 0.00 C ATOM 1501 C THR A 101 2.569 3.585 -1.797 1.00 0.00 C ATOM 1502 O THR A 101 1.373 3.751 -2.034 1.00 0.00 O ATOM 1503 CB THR A 101 4.408 4.006 -3.524 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.237 4.475 -2.464 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.650 5.254 -3.984 1.00 0.00 C ATOM 0 H THR A 101 1.970 2.900 -4.291 1.00 0.00 H new ATOM 0 HA THR A 101 4.119 2.264 -2.322 1.00 0.00 H new ATOM 0 HB THR A 101 4.905 3.547 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.863 5.145 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.346 5.950 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.883 4.969 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.181 5.732 -3.124 1.00 0.00 H new ATOM 1513 N PHE A 102 3.158 3.900 -0.653 1.00 0.00 N ATOM 1514 CA PHE A 102 2.403 4.485 0.442 1.00 0.00 C ATOM 1515 C PHE A 102 2.144 5.973 0.196 1.00 0.00 C ATOM 1516 O PHE A 102 3.068 6.725 -0.112 1.00 0.00 O ATOM 1517 CB PHE A 102 3.252 4.329 1.705 1.00 0.00 C ATOM 1518 CG PHE A 102 3.583 2.877 2.056 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.670 1.896 1.825 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.791 2.568 2.599 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.978 0.549 2.151 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.099 1.220 2.925 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.186 0.239 2.694 1.00 0.00 C ATOM 0 H PHE A 102 4.150 3.761 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 102 1.438 3.987 0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.182 4.882 1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.725 4.784 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.711 2.142 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.516 3.347 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.253 -0.230 1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.058 0.974 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.420 -0.786 2.942 1.00 0.00 H new ATOM 1533 N ALA A 103 0.883 6.354 0.342 1.00 0.00 N ATOM 1534 CA ALA A 103 0.492 7.738 0.139 1.00 0.00 C ATOM 1535 C ALA A 103 1.046 8.592 1.282 1.00 0.00 C ATOM 1536 O ALA A 103 1.776 8.094 2.137 1.00 0.00 O ATOM 1537 CB ALA A 103 -1.032 7.827 0.031 1.00 0.00 C ATOM 0 H ALA A 103 0.120 5.728 0.598 1.00 0.00 H new ATOM 0 HA ALA A 103 0.908 8.122 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.326 8.866 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.373 7.226 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.484 7.453 0.949 1.00 0.00 H new