USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 Set 1.1: A 44 THR OG1 : rot 180:sc= -0.643 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot -78:sc= 0.14! USER MOD Set 2.2: A 13 HIS : no HE2:sc= -2.67! C(o=-2.5!,f=-15!) USER MOD Set 3.1: A 1 MET CE :methyl -152:sc= -0.266 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.29 K(o=-0.56,f=-1.9!) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.00545 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.2!) USER MOD Single : A 16 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-7.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.689! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -129:sc= 0.0031 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.138! USER MOD Single : A 76 GLN :FLIP amide:sc= -0.174 F(o=-0.73,f=-0.17) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.494 12.239 -6.980 1.00 0.00 N ATOM 2 CA MET A 1 -8.941 11.021 -7.641 1.00 0.00 C ATOM 3 C MET A 1 -8.492 10.002 -6.588 1.00 0.00 C ATOM 4 O MET A 1 -8.448 10.291 -5.408 1.00 0.00 O ATOM 5 CB MET A 1 -7.745 11.519 -8.452 1.00 0.00 C ATOM 6 CG MET A 1 -8.097 11.511 -9.941 1.00 0.00 C ATOM 7 SD MET A 1 -6.628 11.079 -10.906 1.00 0.00 S ATOM 8 CE MET A 1 -7.411 9.835 -11.962 1.00 0.00 C ATOM 0 H1 MET A 1 -9.370 13.060 -7.606 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.507 12.100 -6.788 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.992 12.407 -6.085 1.00 0.00 H new ATOM 0 HA MET A 1 -9.679 10.521 -8.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.473 12.527 -8.137 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.879 10.884 -8.269 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.895 10.794 -10.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.469 12.490 -10.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.667 9.102 -12.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.204 9.333 -11.407 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.835 10.319 -12.842 1.00 0.00 H new ATOM 20 N VAL A 2 -8.156 8.810 -7.005 1.00 0.00 N ATOM 21 CA VAL A 2 -7.709 7.775 -6.028 1.00 0.00 C ATOM 22 C VAL A 2 -6.658 6.862 -6.669 1.00 0.00 C ATOM 23 O VAL A 2 -6.960 6.062 -7.531 1.00 0.00 O ATOM 24 CB VAL A 2 -8.969 6.983 -5.682 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.645 5.965 -4.587 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.053 7.940 -5.180 1.00 0.00 C ATOM 0 H VAL A 2 -8.172 8.509 -7.979 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.250 8.215 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.326 6.463 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.543 5.399 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.873 5.283 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.288 6.487 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.952 7.375 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.696 8.460 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.284 8.668 -5.958 1.00 0.00 H new ATOM 36 N LYS A 3 -5.426 6.984 -6.258 1.00 0.00 N ATOM 37 CA LYS A 3 -4.353 6.131 -6.846 1.00 0.00 C ATOM 38 C LYS A 3 -3.378 5.676 -5.753 1.00 0.00 C ATOM 39 O LYS A 3 -2.934 6.465 -4.942 1.00 0.00 O ATOM 40 CB LYS A 3 -3.653 7.049 -7.856 1.00 0.00 C ATOM 41 CG LYS A 3 -2.375 6.387 -8.378 1.00 0.00 C ATOM 42 CD LYS A 3 -2.332 6.504 -9.904 1.00 0.00 C ATOM 43 CE LYS A 3 -1.633 5.278 -10.495 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.913 5.790 -11.696 1.00 0.00 N ATOM 0 H LYS A 3 -5.115 7.638 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.740 5.224 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.324 7.266 -8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.411 8.002 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.499 6.865 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.347 5.339 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.344 6.584 -10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.803 7.412 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.941 4.834 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.352 4.505 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.408 5.007 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.598 6.201 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.231 6.520 -11.407 1.00 0.00 H new ATOM 58 N ILE A 4 -3.035 4.415 -5.725 1.00 0.00 N ATOM 59 CA ILE A 4 -2.085 3.932 -4.690 1.00 0.00 C ATOM 60 C ILE A 4 -0.691 3.759 -5.301 1.00 0.00 C ATOM 61 O ILE A 4 -0.538 3.207 -6.373 1.00 0.00 O ATOM 62 CB ILE A 4 -2.654 2.609 -4.192 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.001 2.869 -3.519 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.690 1.985 -3.183 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.674 1.538 -3.200 1.00 0.00 C ATOM 0 H ILE A 4 -3.372 3.704 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.975 4.636 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.787 1.926 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.858 3.445 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.638 3.463 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.098 1.039 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.727 1.808 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.557 2.663 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.635 1.722 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.830 0.979 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.038 0.960 -2.529 1.00 0.00 H new ATOM 77 N ARG A 5 0.328 4.246 -4.640 1.00 0.00 N ATOM 78 CA ARG A 5 1.704 4.129 -5.197 1.00 0.00 C ATOM 79 C ARG A 5 2.745 4.080 -4.075 1.00 0.00 C ATOM 80 O ARG A 5 2.411 4.013 -2.914 1.00 0.00 O ATOM 81 CB ARG A 5 1.890 5.389 -6.043 1.00 0.00 C ATOM 82 CG ARG A 5 1.661 6.624 -5.168 1.00 0.00 C ATOM 83 CD ARG A 5 2.970 7.403 -5.031 1.00 0.00 C ATOM 84 NE ARG A 5 2.585 8.830 -5.233 1.00 0.00 N ATOM 85 CZ ARG A 5 2.254 9.275 -6.422 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.265 8.483 -7.464 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.911 10.524 -6.567 1.00 0.00 N ATOM 0 H ARG A 5 0.264 4.719 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 5 1.833 3.216 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.894 5.411 -6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.190 5.386 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.893 7.258 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.300 6.324 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.421 7.250 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.701 7.082 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 5 2.579 9.468 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.534 7.505 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.005 8.844 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.901 11.147 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.652 10.878 -7.488 1.00 0.00 H new ATOM 101 N LEU A 6 4.008 4.128 -4.416 1.00 0.00 N ATOM 102 CA LEU A 6 5.069 4.088 -3.367 1.00 0.00 C ATOM 103 C LEU A 6 5.395 5.504 -2.883 1.00 0.00 C ATOM 104 O LEU A 6 5.696 6.383 -3.663 1.00 0.00 O ATOM 105 CB LEU A 6 6.292 3.488 -4.064 1.00 0.00 C ATOM 106 CG LEU A 6 6.255 1.967 -3.955 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.829 1.372 -5.298 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.646 1.448 -3.584 1.00 0.00 C ATOM 0 H LEU A 6 4.349 4.193 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 6 4.758 3.510 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.307 3.786 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.205 3.872 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 6 5.542 1.674 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.802 0.285 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.838 1.742 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.543 1.664 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.620 0.361 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.360 1.740 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.950 1.873 -2.627 1.00 0.00 H new ATOM 120 N ALA A 7 5.327 5.730 -1.600 1.00 0.00 N ATOM 121 CA ALA A 7 5.622 7.088 -1.062 1.00 0.00 C ATOM 122 C ALA A 7 7.044 7.166 -0.509 1.00 0.00 C ATOM 123 O ALA A 7 7.325 6.674 0.557 1.00 0.00 O ATOM 124 CB ALA A 7 4.618 7.259 0.069 1.00 0.00 C ATOM 0 H ALA A 7 5.079 5.031 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 7 5.547 7.859 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.755 8.236 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.606 7.185 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.773 6.479 0.814 1.00 0.00 H new ATOM 130 N ARG A 8 7.939 7.789 -1.222 1.00 0.00 N ATOM 131 CA ARG A 8 9.344 7.898 -0.732 1.00 0.00 C ATOM 132 C ARG A 8 9.445 8.876 0.445 1.00 0.00 C ATOM 133 O ARG A 8 9.172 10.053 0.308 1.00 0.00 O ATOM 134 CB ARG A 8 10.133 8.433 -1.925 1.00 0.00 C ATOM 135 CG ARG A 8 11.629 8.206 -1.695 1.00 0.00 C ATOM 136 CD ARG A 8 12.303 9.542 -1.375 1.00 0.00 C ATOM 137 NE ARG A 8 13.055 9.897 -2.613 1.00 0.00 N ATOM 138 CZ ARG A 8 13.412 11.137 -2.854 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.137 12.096 -2.003 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.054 11.418 -3.954 1.00 0.00 N ATOM 0 H ARG A 8 7.760 8.229 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 8 9.720 6.940 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.815 7.931 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.933 9.496 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.780 7.505 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.081 7.761 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.567 10.307 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.971 9.453 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 8 13.295 9.166 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.639 11.884 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.421 13.054 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.275 10.677 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.335 12.379 -4.149 1.00 0.00 H new ATOM 154 N PHE A 9 9.853 8.406 1.594 1.00 0.00 N ATOM 155 CA PHE A 9 9.988 9.324 2.770 1.00 0.00 C ATOM 156 C PHE A 9 11.459 9.490 3.149 1.00 0.00 C ATOM 157 O PHE A 9 12.012 10.571 3.105 1.00 0.00 O ATOM 158 CB PHE A 9 9.276 8.646 3.941 1.00 0.00 C ATOM 159 CG PHE A 9 7.949 8.079 3.530 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.850 8.921 3.354 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.811 6.699 3.366 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.614 8.381 3.008 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.576 6.160 3.030 1.00 0.00 C ATOM 164 CZ PHE A 9 5.481 7.000 2.850 1.00 0.00 C ATOM 0 H PHE A 9 10.098 7.432 1.772 1.00 0.00 H new ATOM 0 HA PHE A 9 9.568 10.302 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.905 7.849 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.130 9.367 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.958 9.988 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.665 6.051 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.761 9.028 2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.466 5.093 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.521 6.581 2.586 1.00 0.00 H new ATOM 174 N GLY A 10 12.082 8.416 3.550 1.00 0.00 N ATOM 175 CA GLY A 10 13.503 8.478 3.972 1.00 0.00 C ATOM 176 C GLY A 10 14.351 9.140 2.883 1.00 0.00 C ATOM 177 O GLY A 10 14.669 8.533 1.879 1.00 0.00 O ATOM 0 H GLY A 10 11.659 7.489 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.589 9.040 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.875 7.473 4.171 1.00 0.00 H new ATOM 181 N SER A 11 14.729 10.376 3.075 1.00 0.00 N ATOM 182 CA SER A 11 15.567 11.061 2.049 1.00 0.00 C ATOM 183 C SER A 11 16.974 10.458 2.053 1.00 0.00 C ATOM 184 O SER A 11 17.437 9.927 1.064 1.00 0.00 O ATOM 185 CB SER A 11 15.602 12.536 2.471 1.00 0.00 C ATOM 186 OG SER A 11 16.520 12.709 3.538 1.00 0.00 O ATOM 0 H SER A 11 14.495 10.938 3.893 1.00 0.00 H new ATOM 0 HA SER A 11 15.170 10.948 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.892 13.159 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.608 12.859 2.779 1.00 0.00 H new ATOM 0 HG SER A 11 16.107 12.412 4.376 1.00 0.00 H new ATOM 192 N LYS A 12 17.651 10.531 3.167 1.00 0.00 N ATOM 193 CA LYS A 12 19.027 9.961 3.259 1.00 0.00 C ATOM 194 C LYS A 12 19.200 9.323 4.635 1.00 0.00 C ATOM 195 O LYS A 12 20.132 9.617 5.357 1.00 0.00 O ATOM 196 CB LYS A 12 19.983 11.150 3.103 1.00 0.00 C ATOM 197 CG LYS A 12 19.558 12.016 1.914 1.00 0.00 C ATOM 198 CD LYS A 12 20.796 12.614 1.244 1.00 0.00 C ATOM 199 CE LYS A 12 20.611 12.601 -0.274 1.00 0.00 C ATOM 200 NZ LYS A 12 20.019 13.928 -0.601 1.00 0.00 N ATOM 0 H LYS A 12 17.307 10.964 4.024 1.00 0.00 H new ATOM 0 HA LYS A 12 19.217 9.201 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.985 11.747 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.001 10.791 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.998 11.416 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.894 12.812 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.954 13.634 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.683 12.042 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.562 12.456 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.954 11.788 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.862 13.995 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.111 14.035 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.669 14.682 -0.300 1.00 0.00 H new ATOM 214 N HIS A 13 18.291 8.470 5.013 1.00 0.00 N ATOM 215 CA HIS A 13 18.382 7.829 6.359 1.00 0.00 C ATOM 216 C HIS A 13 17.959 6.365 6.246 1.00 0.00 C ATOM 217 O HIS A 13 18.715 5.457 6.530 1.00 0.00 O ATOM 218 CB HIS A 13 17.401 8.597 7.270 1.00 0.00 C ATOM 219 CG HIS A 13 17.240 10.018 6.790 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.301 10.903 6.748 1.00 0.00 N ATOM 221 CD2 HIS A 13 16.163 10.698 6.277 1.00 0.00 C ATOM 222 CE1 HIS A 13 17.846 12.052 6.221 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.549 11.983 5.922 1.00 0.00 N ATOM 0 H HIS A 13 17.488 8.187 4.451 1.00 0.00 H new ATOM 0 HA HIS A 13 19.395 7.862 6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.433 8.097 7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.768 8.593 8.296 1.00 0.00 H new ATOM 0 HD1 HIS A 13 19.254 10.718 7.060 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.167 10.294 6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.458 12.927 6.059 1.00 0.00 H new ATOM 231 N ASN A 14 16.749 6.138 5.817 1.00 0.00 N ATOM 232 CA ASN A 14 16.247 4.745 5.656 1.00 0.00 C ATOM 233 C ASN A 14 15.410 4.661 4.371 1.00 0.00 C ATOM 234 O ASN A 14 14.377 5.293 4.273 1.00 0.00 O ATOM 235 CB ASN A 14 15.376 4.486 6.886 1.00 0.00 C ATOM 236 CG ASN A 14 15.086 2.989 7.000 1.00 0.00 C ATOM 237 OD1 ASN A 14 15.939 2.170 6.719 1.00 0.00 O ATOM 238 ND2 ASN A 14 13.910 2.592 7.402 1.00 0.00 N ATOM 0 H ASN A 14 16.079 6.866 5.568 1.00 0.00 H new ATOM 0 HA ASN A 14 17.049 4.011 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.883 4.838 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.442 5.043 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.707 1.595 7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.193 3.278 7.638 1.00 0.00 H new ATOM 245 N PRO A 15 15.887 3.904 3.415 1.00 0.00 N ATOM 246 CA PRO A 15 15.161 3.775 2.128 1.00 0.00 C ATOM 247 C PRO A 15 13.887 2.938 2.290 1.00 0.00 C ATOM 248 O PRO A 15 13.939 1.754 2.553 1.00 0.00 O ATOM 249 CB PRO A 15 16.165 3.074 1.218 1.00 0.00 C ATOM 250 CG PRO A 15 17.078 2.332 2.141 1.00 0.00 C ATOM 251 CD PRO A 15 17.122 3.106 3.434 1.00 0.00 C ATOM 0 HA PRO A 15 14.830 4.736 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.664 2.394 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.717 3.793 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.715 1.318 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.075 2.245 1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.153 2.440 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.006 3.741 3.489 1.00 0.00 H new ATOM 259 N HIS A 16 12.743 3.549 2.114 1.00 0.00 N ATOM 260 CA HIS A 16 11.460 2.795 2.233 1.00 0.00 C ATOM 261 C HIS A 16 10.297 3.649 1.736 1.00 0.00 C ATOM 262 O HIS A 16 10.179 4.813 2.062 1.00 0.00 O ATOM 263 CB HIS A 16 11.281 2.483 3.723 1.00 0.00 C ATOM 264 CG HIS A 16 11.153 3.762 4.507 1.00 0.00 C ATOM 265 ND1 HIS A 16 9.989 4.531 4.521 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.055 4.429 5.297 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.239 5.609 5.297 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.478 5.591 5.792 1.00 0.00 N ATOM 0 H HIS A 16 12.643 4.540 1.893 1.00 0.00 H new ATOM 0 HA HIS A 16 11.481 1.885 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.394 1.867 3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.132 1.908 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.063 4.100 5.503 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.521 6.392 5.493 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.910 6.284 6.404 1.00 0.00 H new ATOM 276 N TYR A 17 9.426 3.073 0.969 1.00 0.00 N ATOM 277 CA TYR A 17 8.257 3.830 0.479 1.00 0.00 C ATOM 278 C TYR A 17 7.016 3.129 0.975 1.00 0.00 C ATOM 279 O TYR A 17 7.048 1.945 1.210 1.00 0.00 O ATOM 280 CB TYR A 17 8.269 3.714 -1.037 1.00 0.00 C ATOM 281 CG TYR A 17 9.587 4.127 -1.620 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.721 3.340 -1.421 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.664 5.290 -2.385 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.937 3.715 -1.986 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.878 5.671 -2.951 1.00 0.00 C ATOM 286 CZ TYR A 17 12.023 4.883 -2.753 1.00 0.00 C ATOM 287 OH TYR A 17 13.231 5.254 -3.313 1.00 0.00 O ATOM 0 H TYR A 17 9.475 2.103 0.659 1.00 0.00 H new ATOM 0 HA TYR A 17 8.279 4.868 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.052 2.685 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.477 4.335 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.656 2.439 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.783 5.895 -2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.815 3.104 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.939 6.573 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 17 13.117 6.088 -3.815 1.00 0.00 H new ATOM 297 N ARG A 18 5.917 3.805 1.092 1.00 0.00 N ATOM 298 CA ARG A 18 4.697 3.085 1.517 1.00 0.00 C ATOM 299 C ARG A 18 3.762 2.974 0.331 1.00 0.00 C ATOM 300 O ARG A 18 3.834 3.747 -0.604 1.00 0.00 O ATOM 301 CB ARG A 18 4.054 3.914 2.619 1.00 0.00 C ATOM 302 CG ARG A 18 4.784 3.670 3.939 1.00 0.00 C ATOM 303 CD ARG A 18 3.821 3.031 4.941 1.00 0.00 C ATOM 304 NE ARG A 18 4.205 3.602 6.265 1.00 0.00 N ATOM 305 CZ ARG A 18 3.816 3.032 7.380 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.102 1.934 7.364 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.150 3.564 8.524 1.00 0.00 N ATOM 0 H ARG A 18 5.810 4.804 0.916 1.00 0.00 H new ATOM 0 HA ARG A 18 4.922 2.082 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.093 4.972 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.002 3.649 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.643 3.019 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.167 4.611 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.785 3.264 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.912 1.945 4.938 1.00 0.00 H new ATOM 0 HE ARG A 18 4.777 4.446 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.840 1.509 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.808 1.504 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.709 4.417 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.852 3.127 9.396 1.00 0.00 H new ATOM 321 N ILE A 19 2.858 2.058 0.380 1.00 0.00 N ATOM 322 CA ILE A 19 1.886 1.932 -0.717 1.00 0.00 C ATOM 323 C ILE A 19 0.670 2.663 -0.188 1.00 0.00 C ATOM 324 O ILE A 19 -0.221 2.094 0.409 1.00 0.00 O ATOM 325 CB ILE A 19 1.625 0.433 -0.938 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.777 -0.437 -0.416 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.512 0.162 -2.432 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.080 0.032 -1.062 1.00 0.00 C ATOM 0 H ILE A 19 2.749 1.385 1.139 1.00 0.00 H new ATOM 0 HA ILE A 19 2.201 2.342 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 19 0.710 0.184 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.845 -0.361 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.595 -1.486 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.327 -0.900 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.687 0.742 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.441 0.449 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.907 -0.579 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.005 -0.066 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.259 1.076 -0.804 1.00 0.00 H new ATOM 340 N VAL A 20 0.712 3.957 -0.309 1.00 0.00 N ATOM 341 CA VAL A 20 -0.335 4.818 0.275 1.00 0.00 C ATOM 342 C VAL A 20 -1.386 5.216 -0.770 1.00 0.00 C ATOM 343 O VAL A 20 -1.197 5.044 -1.955 1.00 0.00 O ATOM 344 CB VAL A 20 0.501 6.009 0.806 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.411 7.235 -0.110 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.037 6.381 2.208 1.00 0.00 C ATOM 0 H VAL A 20 1.449 4.461 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.934 4.346 1.054 1.00 0.00 H new ATOM 0 HB VAL A 20 1.543 5.691 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.013 8.044 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.783 6.977 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.627 7.558 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.628 7.219 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.015 6.664 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.165 5.526 2.872 1.00 0.00 H new ATOM 356 N VAL A 21 -2.509 5.714 -0.321 1.00 0.00 N ATOM 357 CA VAL A 21 -3.599 6.087 -1.264 1.00 0.00 C ATOM 358 C VAL A 21 -3.788 7.606 -1.290 1.00 0.00 C ATOM 359 O VAL A 21 -4.328 8.188 -0.370 1.00 0.00 O ATOM 360 CB VAL A 21 -4.880 5.407 -0.728 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.688 4.872 -1.903 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.560 4.235 0.204 1.00 0.00 C ATOM 0 H VAL A 21 -2.716 5.878 0.664 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.367 5.768 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.440 6.154 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.593 4.391 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.959 5.696 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.091 4.146 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.489 3.787 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.979 3.488 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.984 4.595 1.056 1.00 0.00 H new ATOM 372 N THR A 22 -3.359 8.250 -2.338 1.00 0.00 N ATOM 373 CA THR A 22 -3.524 9.731 -2.421 1.00 0.00 C ATOM 374 C THR A 22 -4.035 10.126 -3.807 1.00 0.00 C ATOM 375 O THR A 22 -4.424 9.290 -4.599 1.00 0.00 O ATOM 376 CB THR A 22 -2.124 10.313 -2.180 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.139 11.704 -2.468 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.101 9.616 -3.081 1.00 0.00 C ATOM 0 H THR A 22 -2.902 7.818 -3.141 1.00 0.00 H new ATOM 0 HA THR A 22 -4.246 10.103 -1.694 1.00 0.00 H new ATOM 0 HB THR A 22 -1.845 10.154 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.621 12.180 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.112 10.037 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.087 8.549 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.375 9.765 -4.125 1.00 0.00 H new ATOM 386 N ASP A 23 -4.038 11.396 -4.106 1.00 0.00 N ATOM 387 CA ASP A 23 -4.523 11.850 -5.442 1.00 0.00 C ATOM 388 C ASP A 23 -3.364 11.874 -6.441 1.00 0.00 C ATOM 389 O ASP A 23 -2.210 11.927 -6.065 1.00 0.00 O ATOM 390 CB ASP A 23 -5.063 13.261 -5.207 1.00 0.00 C ATOM 391 CG ASP A 23 -3.933 14.162 -4.706 1.00 0.00 C ATOM 392 OD1 ASP A 23 -3.491 13.957 -3.587 1.00 0.00 O ATOM 393 OD2 ASP A 23 -3.528 15.041 -5.448 1.00 0.00 O ATOM 0 H ASP A 23 -3.725 12.140 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.284 11.188 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.479 13.661 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.873 13.235 -4.478 1.00 0.00 H new ATOM 398 N ALA A 24 -3.660 11.833 -7.712 1.00 0.00 N ATOM 399 CA ALA A 24 -2.571 11.850 -8.731 1.00 0.00 C ATOM 400 C ALA A 24 -2.129 13.287 -9.017 1.00 0.00 C ATOM 401 O ALA A 24 -1.016 13.675 -8.721 1.00 0.00 O ATOM 402 CB ALA A 24 -3.187 11.219 -9.980 1.00 0.00 C ATOM 0 H ALA A 24 -4.607 11.789 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.686 11.310 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.446 11.195 -10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.509 10.203 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.046 11.809 -10.300 1.00 0.00 H new ATOM 408 N ARG A 25 -2.990 14.078 -9.599 1.00 0.00 N ATOM 409 CA ARG A 25 -2.618 15.486 -9.912 1.00 0.00 C ATOM 410 C ARG A 25 -2.371 16.278 -8.624 1.00 0.00 C ATOM 411 O ARG A 25 -3.229 16.375 -7.769 1.00 0.00 O ATOM 412 CB ARG A 25 -3.820 16.050 -10.670 1.00 0.00 C ATOM 413 CG ARG A 25 -3.353 17.150 -11.626 1.00 0.00 C ATOM 414 CD ARG A 25 -4.487 18.154 -11.846 1.00 0.00 C ATOM 415 NE ARG A 25 -4.240 18.723 -13.202 1.00 0.00 N ATOM 416 CZ ARG A 25 -4.982 19.701 -13.668 1.00 0.00 C ATOM 417 NH1 ARG A 25 -5.972 20.191 -12.963 1.00 0.00 N ATOM 418 NH2 ARG A 25 -4.734 20.187 -14.854 1.00 0.00 N ATOM 0 H ARG A 25 -3.935 13.809 -9.871 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.699 15.548 -10.495 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.316 15.256 -11.228 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.551 16.451 -9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.480 17.657 -11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.050 16.714 -12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.461 17.667 -11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.478 18.933 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.485 18.347 -13.775 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.176 19.813 -12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.539 20.951 -13.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.969 19.807 -15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.306 20.947 -15.224 1.00 0.00 H new ATOM 432 N ARG A 26 -1.206 16.848 -8.482 1.00 0.00 N ATOM 433 CA ARG A 26 -0.901 17.640 -7.253 1.00 0.00 C ATOM 434 C ARG A 26 0.366 18.473 -7.468 1.00 0.00 C ATOM 435 O ARG A 26 1.237 18.107 -8.232 1.00 0.00 O ATOM 436 CB ARG A 26 -0.680 16.601 -6.152 1.00 0.00 C ATOM 437 CG ARG A 26 0.516 15.718 -6.513 1.00 0.00 C ATOM 438 CD ARG A 26 0.212 14.268 -6.126 1.00 0.00 C ATOM 439 NE ARG A 26 1.344 13.474 -6.689 1.00 0.00 N ATOM 440 CZ ARG A 26 2.520 13.469 -6.104 1.00 0.00 C ATOM 441 NH1 ARG A 26 2.736 14.169 -5.018 1.00 0.00 N ATOM 442 NH2 ARG A 26 3.487 12.756 -6.613 1.00 0.00 N ATOM 0 H ARG A 26 -0.450 16.800 -9.165 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.702 18.334 -6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.503 17.099 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.574 15.989 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.723 15.785 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.409 16.065 -5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.149 14.153 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.743 13.941 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 26 1.202 12.928 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.985 14.729 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.655 14.154 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.326 12.209 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.404 12.746 -6.165 1.00 0.00 H new ATOM 456 N LYS A 27 0.478 19.592 -6.804 1.00 0.00 N ATOM 457 CA LYS A 27 1.692 20.440 -6.981 1.00 0.00 C ATOM 458 C LYS A 27 2.263 20.855 -5.621 1.00 0.00 C ATOM 459 O LYS A 27 3.450 20.764 -5.384 1.00 0.00 O ATOM 460 CB LYS A 27 1.212 21.665 -7.759 1.00 0.00 C ATOM 461 CG LYS A 27 2.215 21.991 -8.868 1.00 0.00 C ATOM 462 CD LYS A 27 1.735 23.217 -9.648 1.00 0.00 C ATOM 463 CE LYS A 27 2.307 24.485 -9.012 1.00 0.00 C ATOM 464 NZ LYS A 27 1.194 25.473 -9.055 1.00 0.00 N ATOM 0 H LYS A 27 -0.215 19.954 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 27 2.487 19.910 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.229 21.474 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.107 22.517 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.198 22.182 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.321 21.139 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.051 23.145 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.646 23.257 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.632 24.301 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.176 24.845 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.510 26.371 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.910 25.633 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.383 25.106 -8.517 1.00 0.00 H new ATOM 478 N ARG A 28 1.430 21.314 -4.727 1.00 0.00 N ATOM 479 CA ARG A 28 1.937 21.735 -3.387 1.00 0.00 C ATOM 480 C ARG A 28 1.232 20.952 -2.276 1.00 0.00 C ATOM 481 O ARG A 28 1.243 21.343 -1.126 1.00 0.00 O ATOM 482 CB ARG A 28 1.605 23.223 -3.289 1.00 0.00 C ATOM 483 CG ARG A 28 2.901 24.034 -3.286 1.00 0.00 C ATOM 484 CD ARG A 28 3.149 24.596 -1.884 1.00 0.00 C ATOM 485 NE ARG A 28 4.143 25.691 -2.079 1.00 0.00 N ATOM 486 CZ ARG A 28 4.307 26.619 -1.168 1.00 0.00 C ATOM 487 NH1 ARG A 28 3.611 26.605 -0.058 1.00 0.00 N ATOM 488 NH2 ARG A 28 5.180 27.569 -1.368 1.00 0.00 N ATOM 0 H ARG A 28 0.424 21.416 -4.864 1.00 0.00 H new ATOM 0 HA ARG A 28 3.004 21.545 -3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.978 23.523 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.037 23.421 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.737 23.404 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.835 24.847 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.227 24.973 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.534 23.828 -1.213 1.00 0.00 H new ATOM 0 HE ARG A 28 4.702 25.718 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.929 25.864 0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.751 27.335 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.728 27.585 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.314 28.295 -0.664 1.00 0.00 H new ATOM 502 N ASP A 29 0.624 19.846 -2.607 1.00 0.00 N ATOM 503 CA ASP A 29 -0.075 19.040 -1.565 1.00 0.00 C ATOM 504 C ASP A 29 0.197 17.550 -1.788 1.00 0.00 C ATOM 505 O ASP A 29 -0.422 16.911 -2.616 1.00 0.00 O ATOM 506 CB ASP A 29 -1.561 19.355 -1.752 1.00 0.00 C ATOM 507 CG ASP A 29 -1.986 19.002 -3.178 1.00 0.00 C ATOM 508 OD1 ASP A 29 -1.400 19.542 -4.102 1.00 0.00 O ATOM 509 OD2 ASP A 29 -2.892 18.197 -3.323 1.00 0.00 O ATOM 0 H ASP A 29 0.581 19.466 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 29 0.264 19.277 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.156 18.790 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.746 20.411 -1.558 1.00 0.00 H new ATOM 514 N GLY A 30 1.127 16.992 -1.061 1.00 0.00 N ATOM 515 CA GLY A 30 1.441 15.545 -1.240 1.00 0.00 C ATOM 516 C GLY A 30 0.967 14.753 -0.021 1.00 0.00 C ATOM 517 O GLY A 30 1.758 14.293 0.778 1.00 0.00 O ATOM 0 H GLY A 30 1.681 17.474 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.956 15.168 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.514 15.411 -1.376 1.00 0.00 H new ATOM 521 N LYS A 31 -0.318 14.580 0.122 1.00 0.00 N ATOM 522 CA LYS A 31 -0.842 13.807 1.284 1.00 0.00 C ATOM 523 C LYS A 31 -1.774 12.697 0.787 1.00 0.00 C ATOM 524 O LYS A 31 -2.312 12.772 -0.298 1.00 0.00 O ATOM 525 CB LYS A 31 -1.609 14.824 2.130 1.00 0.00 C ATOM 526 CG LYS A 31 -2.779 15.391 1.322 1.00 0.00 C ATOM 527 CD LYS A 31 -4.059 15.316 2.158 1.00 0.00 C ATOM 528 CE LYS A 31 -5.214 15.951 1.381 1.00 0.00 C ATOM 529 NZ LYS A 31 -6.200 16.357 2.421 1.00 0.00 N ATOM 0 H LYS A 31 -1.028 14.940 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.050 13.327 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.979 14.350 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.943 15.630 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.575 16.424 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.903 14.828 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.292 14.277 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.917 15.833 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.875 16.810 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.652 15.244 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.022 16.801 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.510 15.518 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.757 17.035 3.073 1.00 0.00 H new ATOM 543 N TYR A 32 -1.966 11.665 1.565 1.00 0.00 N ATOM 544 CA TYR A 32 -2.860 10.559 1.114 1.00 0.00 C ATOM 545 C TYR A 32 -4.077 10.434 2.028 1.00 0.00 C ATOM 546 O TYR A 32 -4.098 10.939 3.133 1.00 0.00 O ATOM 547 CB TYR A 32 -2.012 9.285 1.184 1.00 0.00 C ATOM 548 CG TYR A 32 -1.451 9.118 2.576 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.187 8.431 3.548 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.192 9.644 2.893 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.667 8.269 4.836 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.329 9.482 4.181 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.409 8.795 5.154 1.00 0.00 C ATOM 554 OH TYR A 32 0.104 8.633 6.426 1.00 0.00 O ATOM 0 H TYR A 32 -1.546 11.540 2.486 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.238 10.742 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.619 8.419 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.200 9.338 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.158 8.026 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.376 10.174 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.236 7.738 5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.300 9.886 4.425 1.00 0.00 H new ATOM 0 HH TYR A 32 0.986 9.056 6.479 1.00 0.00 H new ATOM 564 N ILE A 33 -5.088 9.758 1.567 1.00 0.00 N ATOM 565 CA ILE A 33 -6.315 9.581 2.388 1.00 0.00 C ATOM 566 C ILE A 33 -6.044 8.598 3.532 1.00 0.00 C ATOM 567 O ILE A 33 -6.398 8.841 4.668 1.00 0.00 O ATOM 568 CB ILE A 33 -7.345 9.013 1.409 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.707 10.084 0.376 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.605 8.592 2.164 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.661 9.477 -1.027 1.00 0.00 C ATOM 0 H ILE A 33 -5.118 9.316 0.648 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.656 10.508 2.850 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.921 8.144 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.702 10.479 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.011 10.920 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.333 8.189 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.350 7.829 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.031 9.457 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.919 10.240 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.657 9.103 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.374 8.655 -1.091 1.00 0.00 H new ATOM 583 N GLU A 34 -5.419 7.488 3.240 1.00 0.00 N ATOM 584 CA GLU A 34 -5.130 6.493 4.312 1.00 0.00 C ATOM 585 C GLU A 34 -3.883 5.678 3.956 1.00 0.00 C ATOM 586 O GLU A 34 -3.419 5.694 2.834 1.00 0.00 O ATOM 587 CB GLU A 34 -6.364 5.592 4.354 1.00 0.00 C ATOM 588 CG GLU A 34 -6.789 5.374 5.807 1.00 0.00 C ATOM 589 CD GLU A 34 -8.016 6.234 6.116 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.954 7.428 5.875 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.997 5.684 6.588 1.00 0.00 O ATOM 0 H GLU A 34 -5.097 7.228 2.308 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.935 6.966 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.179 6.047 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.145 4.635 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.018 4.322 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.971 5.634 6.479 1.00 0.00 H new ATOM 598 N LYS A 35 -3.338 4.962 4.903 1.00 0.00 N ATOM 599 CA LYS A 35 -2.124 4.143 4.613 1.00 0.00 C ATOM 600 C LYS A 35 -2.505 2.663 4.500 1.00 0.00 C ATOM 601 O LYS A 35 -2.960 2.054 5.448 1.00 0.00 O ATOM 602 CB LYS A 35 -1.185 4.378 5.802 1.00 0.00 C ATOM 603 CG LYS A 35 -1.804 3.806 7.082 1.00 0.00 C ATOM 604 CD LYS A 35 -1.571 4.778 8.240 1.00 0.00 C ATOM 605 CE LYS A 35 -1.886 4.077 9.564 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.336 4.977 10.616 1.00 0.00 N ATOM 0 H LYS A 35 -3.679 4.908 5.863 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.651 4.421 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.221 3.906 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.000 5.445 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.872 3.642 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.361 2.837 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.537 5.124 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.203 5.659 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.959 3.933 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.425 3.090 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.513 4.564 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.312 5.090 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.798 5.906 10.554 1.00 0.00 H new ATOM 620 N ILE A 36 -2.339 2.079 3.344 1.00 0.00 N ATOM 621 CA ILE A 36 -2.715 0.640 3.184 1.00 0.00 C ATOM 622 C ILE A 36 -1.487 -0.248 3.061 1.00 0.00 C ATOM 623 O ILE A 36 -1.498 -1.392 3.476 1.00 0.00 O ATOM 624 CB ILE A 36 -3.525 0.583 1.892 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.647 1.021 0.712 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.722 1.519 2.010 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.426 0.895 -0.591 1.00 0.00 C ATOM 0 H ILE A 36 -1.963 2.529 2.509 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.272 0.281 4.049 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.871 -0.437 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.322 2.052 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.748 0.406 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.305 1.482 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.346 1.207 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.372 2.538 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.796 1.208 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.729 -0.142 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.312 1.529 -0.548 1.00 0.00 H new ATOM 639 N GLY A 37 -0.447 0.239 2.459 1.00 0.00 N ATOM 640 CA GLY A 37 0.740 -0.622 2.277 1.00 0.00 C ATOM 641 C GLY A 37 2.013 0.006 2.827 1.00 0.00 C ATOM 642 O GLY A 37 2.098 1.189 3.089 1.00 0.00 O ATOM 0 H GLY A 37 -0.368 1.186 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.569 -1.578 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.872 -0.831 1.215 1.00 0.00 H new ATOM 646 N TYR A 38 3.023 -0.809 2.934 1.00 0.00 N ATOM 647 CA TYR A 38 4.361 -0.343 3.392 1.00 0.00 C ATOM 648 C TYR A 38 5.420 -1.073 2.558 1.00 0.00 C ATOM 649 O TYR A 38 5.480 -2.287 2.560 1.00 0.00 O ATOM 650 CB TYR A 38 4.462 -0.737 4.870 1.00 0.00 C ATOM 651 CG TYR A 38 5.881 -0.529 5.357 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.283 0.721 5.847 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.797 -1.589 5.312 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.596 0.909 6.293 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.111 -1.399 5.758 1.00 0.00 C ATOM 656 CZ TYR A 38 8.510 -0.149 6.249 1.00 0.00 C ATOM 657 OH TYR A 38 9.807 0.044 6.690 1.00 0.00 O ATOM 0 H TYR A 38 2.976 -1.805 2.717 1.00 0.00 H new ATOM 0 HA TYR A 38 4.507 0.731 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.772 -0.138 5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.172 -1.780 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.579 1.539 5.880 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.489 -2.553 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.904 1.872 6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.817 -2.216 5.723 1.00 0.00 H new ATOM 0 HH TYR A 38 10.313 -0.790 6.593 1.00 0.00 H new ATOM 667 N TYR A 39 6.259 -0.364 1.853 1.00 0.00 N ATOM 668 CA TYR A 39 7.298 -1.067 1.042 1.00 0.00 C ATOM 669 C TYR A 39 8.692 -0.735 1.585 1.00 0.00 C ATOM 670 O TYR A 39 8.977 0.393 1.938 1.00 0.00 O ATOM 671 CB TYR A 39 7.166 -0.559 -0.399 1.00 0.00 C ATOM 672 CG TYR A 39 8.296 -1.130 -1.234 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.570 -0.550 -1.180 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.074 -2.251 -2.043 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.620 -1.092 -1.935 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.124 -2.790 -2.799 1.00 0.00 C ATOM 677 CZ TYR A 39 10.396 -2.211 -2.744 1.00 0.00 C ATOM 678 OH TYR A 39 11.431 -2.744 -3.485 1.00 0.00 O ATOM 0 H TYR A 39 6.273 0.655 1.802 1.00 0.00 H new ATOM 0 HA TYR A 39 7.162 -2.148 1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.204 -0.857 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.198 0.530 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.744 0.315 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.093 -2.701 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.602 -0.645 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.951 -3.653 -3.425 1.00 0.00 H new ATOM 0 HH TYR A 39 11.107 -3.518 -3.990 1.00 0.00 H new ATOM 688 N ASP A 40 9.569 -1.696 1.635 1.00 0.00 N ATOM 689 CA ASP A 40 10.947 -1.418 2.132 1.00 0.00 C ATOM 690 C ASP A 40 11.970 -2.188 1.289 1.00 0.00 C ATOM 691 O ASP A 40 12.092 -3.388 1.415 1.00 0.00 O ATOM 692 CB ASP A 40 10.959 -1.917 3.578 1.00 0.00 C ATOM 693 CG ASP A 40 12.325 -1.637 4.210 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.235 -1.280 3.480 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.438 -1.788 5.415 1.00 0.00 O ATOM 0 H ASP A 40 9.394 -2.661 1.354 1.00 0.00 H new ATOM 0 HA ASP A 40 11.206 -0.361 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.175 -1.422 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.747 -2.986 3.606 1.00 0.00 H new ATOM 700 N PRO A 41 12.680 -1.484 0.448 1.00 0.00 N ATOM 701 CA PRO A 41 13.688 -2.146 -0.408 1.00 0.00 C ATOM 702 C PRO A 41 14.940 -2.479 0.410 1.00 0.00 C ATOM 703 O PRO A 41 15.977 -1.867 0.251 1.00 0.00 O ATOM 704 CB PRO A 41 13.998 -1.102 -1.475 1.00 0.00 C ATOM 705 CG PRO A 41 13.661 0.216 -0.847 1.00 0.00 C ATOM 706 CD PRO A 41 12.618 -0.035 0.215 1.00 0.00 C ATOM 0 HA PRO A 41 13.339 -3.087 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.047 -1.141 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.407 -1.272 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.550 0.670 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.284 0.912 -1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.834 0.524 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.627 0.272 -0.120 1.00 0.00 H new ATOM 714 N ARG A 42 14.848 -3.437 1.291 1.00 0.00 N ATOM 715 CA ARG A 42 16.024 -3.801 2.124 1.00 0.00 C ATOM 716 C ARG A 42 16.815 -4.941 1.480 1.00 0.00 C ATOM 717 O ARG A 42 16.472 -5.432 0.423 1.00 0.00 O ATOM 718 CB ARG A 42 15.435 -4.248 3.462 1.00 0.00 C ATOM 719 CG ARG A 42 15.807 -3.236 4.546 1.00 0.00 C ATOM 720 CD ARG A 42 16.024 -3.962 5.876 1.00 0.00 C ATOM 721 NE ARG A 42 16.821 -3.011 6.704 1.00 0.00 N ATOM 722 CZ ARG A 42 18.080 -2.765 6.421 1.00 0.00 C ATOM 723 NH1 ARG A 42 18.671 -3.358 5.414 1.00 0.00 N ATOM 724 NH2 ARG A 42 18.751 -1.920 7.154 1.00 0.00 N ATOM 0 H ARG A 42 14.006 -3.984 1.469 1.00 0.00 H new ATOM 0 HA ARG A 42 16.717 -2.967 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.351 -4.332 3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.813 -5.236 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.712 -2.700 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.016 -2.493 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.075 -4.203 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.556 -4.902 5.731 1.00 0.00 H new ATOM 0 HE ARG A 42 16.383 -2.546 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 42 18.153 -4.021 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.649 -3.157 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.298 -1.455 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.729 -1.724 6.940 1.00 0.00 H new ATOM 738 N LYS A 43 17.871 -5.368 2.116 1.00 0.00 N ATOM 739 CA LYS A 43 18.689 -6.481 1.551 1.00 0.00 C ATOM 740 C LYS A 43 19.065 -7.473 2.658 1.00 0.00 C ATOM 741 O LYS A 43 19.978 -8.260 2.512 1.00 0.00 O ATOM 742 CB LYS A 43 19.939 -5.806 0.984 1.00 0.00 C ATOM 743 CG LYS A 43 20.619 -4.979 2.079 1.00 0.00 C ATOM 744 CD LYS A 43 22.085 -4.748 1.709 1.00 0.00 C ATOM 745 CE LYS A 43 22.830 -4.150 2.905 1.00 0.00 C ATOM 746 NZ LYS A 43 24.267 -4.456 2.656 1.00 0.00 N ATOM 0 H LYS A 43 18.204 -4.994 3.005 1.00 0.00 H new ATOM 0 HA LYS A 43 18.152 -7.045 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.629 -6.558 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.669 -5.165 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.108 -4.023 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.552 -5.497 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.548 -5.689 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.153 -4.077 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.662 -3.075 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.489 -4.590 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 24.843 -4.077 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 24.398 -5.486 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 24.565 -4.019 1.761 1.00 0.00 H new ATOM 760 N THR A 44 18.369 -7.438 3.763 1.00 0.00 N ATOM 761 CA THR A 44 18.688 -8.377 4.877 1.00 0.00 C ATOM 762 C THR A 44 17.518 -9.335 5.115 1.00 0.00 C ATOM 763 O THR A 44 17.677 -10.388 5.701 1.00 0.00 O ATOM 764 CB THR A 44 18.904 -7.481 6.098 1.00 0.00 C ATOM 765 OG1 THR A 44 17.699 -6.790 6.394 1.00 0.00 O ATOM 766 CG2 THR A 44 20.014 -6.471 5.804 1.00 0.00 C ATOM 0 H THR A 44 17.594 -6.800 3.942 1.00 0.00 H new ATOM 0 HA THR A 44 19.562 -8.992 4.661 1.00 0.00 H new ATOM 0 HB THR A 44 19.192 -8.094 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.835 -6.217 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.166 -5.834 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.938 -7.002 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.730 -5.856 4.950 1.00 0.00 H new ATOM 774 N THR A 45 16.343 -8.981 4.668 1.00 0.00 N ATOM 775 CA THR A 45 15.167 -9.875 4.872 1.00 0.00 C ATOM 776 C THR A 45 14.359 -9.990 3.571 1.00 0.00 C ATOM 777 O THR A 45 14.147 -9.005 2.891 1.00 0.00 O ATOM 778 CB THR A 45 14.335 -9.195 5.959 1.00 0.00 C ATOM 779 OG1 THR A 45 14.426 -7.786 5.811 1.00 0.00 O ATOM 780 CG2 THR A 45 14.862 -9.601 7.336 1.00 0.00 C ATOM 0 H THR A 45 16.147 -8.112 4.171 1.00 0.00 H new ATOM 0 HA THR A 45 15.461 -10.885 5.156 1.00 0.00 H new ATOM 0 HB THR A 45 13.294 -9.503 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.892 -7.349 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.268 -9.116 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.791 -10.683 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.904 -9.294 7.432 1.00 0.00 H new ATOM 788 N PRO A 46 13.931 -11.190 3.261 1.00 0.00 N ATOM 789 CA PRO A 46 13.141 -11.412 2.026 1.00 0.00 C ATOM 790 C PRO A 46 11.705 -10.912 2.209 1.00 0.00 C ATOM 791 O PRO A 46 10.978 -10.725 1.253 1.00 0.00 O ATOM 792 CB PRO A 46 13.162 -12.926 1.853 1.00 0.00 C ATOM 793 CG PRO A 46 13.381 -13.476 3.227 1.00 0.00 C ATOM 794 CD PRO A 46 14.137 -12.436 4.015 1.00 0.00 C ATOM 0 HA PRO A 46 13.543 -10.880 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.225 -13.287 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.958 -13.234 1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.428 -13.703 3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.945 -14.408 3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.756 -12.353 5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.195 -12.685 4.090 1.00 0.00 H new ATOM 802 N ASP A 47 11.286 -10.705 3.428 1.00 0.00 N ATOM 803 CA ASP A 47 9.895 -10.229 3.663 1.00 0.00 C ATOM 804 C ASP A 47 9.884 -8.747 4.045 1.00 0.00 C ATOM 805 O ASP A 47 9.808 -8.397 5.205 1.00 0.00 O ATOM 806 CB ASP A 47 9.378 -11.084 4.820 1.00 0.00 C ATOM 807 CG ASP A 47 8.964 -12.458 4.293 1.00 0.00 C ATOM 808 OD1 ASP A 47 7.843 -12.580 3.831 1.00 0.00 O ATOM 809 OD2 ASP A 47 9.778 -13.366 4.360 1.00 0.00 O ATOM 0 H ASP A 47 11.846 -10.845 4.269 1.00 0.00 H new ATOM 0 HA ASP A 47 9.276 -10.323 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.152 -11.192 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.529 -10.595 5.297 1.00 0.00 H new ATOM 814 N TRP A 48 9.939 -7.874 3.076 1.00 0.00 N ATOM 815 CA TRP A 48 9.910 -6.414 3.393 1.00 0.00 C ATOM 816 C TRP A 48 8.578 -5.802 2.942 1.00 0.00 C ATOM 817 O TRP A 48 8.260 -4.677 3.273 1.00 0.00 O ATOM 818 CB TRP A 48 11.085 -5.773 2.632 1.00 0.00 C ATOM 819 CG TRP A 48 11.140 -6.267 1.217 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.093 -7.090 0.724 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.236 -5.985 0.109 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.821 -7.349 -0.605 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.688 -6.691 -1.032 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.079 -5.202 -0.015 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.011 -6.625 -2.249 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.396 -5.131 -1.238 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.860 -5.842 -2.354 1.00 0.00 C ATOM 0 H TRP A 48 10.002 -8.104 2.084 1.00 0.00 H new ATOM 0 HA TRP A 48 10.002 -6.241 4.465 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.979 -4.688 2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.022 -6.005 3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.932 -7.482 1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.389 -7.954 -1.198 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.711 -4.650 0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.374 -7.176 -3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.506 -4.524 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.328 -5.784 -3.292 1.00 0.00 H new ATOM 838 N LEU A 49 7.792 -6.532 2.193 1.00 0.00 N ATOM 839 CA LEU A 49 6.481 -5.991 1.728 1.00 0.00 C ATOM 840 C LEU A 49 5.427 -6.163 2.825 1.00 0.00 C ATOM 841 O LEU A 49 5.026 -7.264 3.146 1.00 0.00 O ATOM 842 CB LEU A 49 6.124 -6.843 0.507 1.00 0.00 C ATOM 843 CG LEU A 49 4.782 -6.394 -0.084 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.695 -6.850 -1.540 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.635 -7.024 0.709 1.00 0.00 C ATOM 0 H LEU A 49 8.003 -7.481 1.883 1.00 0.00 H new ATOM 0 HA LEU A 49 6.526 -4.928 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.907 -6.757 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.070 -7.894 0.792 1.00 0.00 H new ATOM 0 HG LEU A 49 4.708 -5.308 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.742 -6.533 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.512 -6.406 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.769 -7.937 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.682 -6.704 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.709 -8.110 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.696 -6.708 1.750 1.00 0.00 H new ATOM 857 N LYS A 50 4.968 -5.087 3.395 1.00 0.00 N ATOM 858 CA LYS A 50 3.933 -5.192 4.460 1.00 0.00 C ATOM 859 C LYS A 50 2.686 -4.419 4.034 1.00 0.00 C ATOM 860 O LYS A 50 2.587 -3.226 4.242 1.00 0.00 O ATOM 861 CB LYS A 50 4.566 -4.555 5.697 1.00 0.00 C ATOM 862 CG LYS A 50 5.795 -5.362 6.116 1.00 0.00 C ATOM 863 CD LYS A 50 5.371 -6.478 7.074 1.00 0.00 C ATOM 864 CE LYS A 50 6.176 -6.372 8.372 1.00 0.00 C ATOM 865 NZ LYS A 50 5.157 -6.407 9.458 1.00 0.00 N ATOM 0 H LYS A 50 5.265 -4.137 3.170 1.00 0.00 H new ATOM 0 HA LYS A 50 3.629 -6.221 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.850 -3.525 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.844 -4.523 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.281 -5.787 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.523 -4.711 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.305 -6.402 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.535 -7.451 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.883 -7.196 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.756 -5.449 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.631 -6.339 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.502 -5.607 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.626 -7.300 9.407 1.00 0.00 H new ATOM 879 N VAL A 51 1.736 -5.078 3.425 1.00 0.00 N ATOM 880 CA VAL A 51 0.516 -4.351 2.984 1.00 0.00 C ATOM 881 C VAL A 51 -0.743 -4.966 3.591 1.00 0.00 C ATOM 882 O VAL A 51 -0.965 -6.159 3.522 1.00 0.00 O ATOM 883 CB VAL A 51 0.513 -4.463 1.435 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.903 -4.702 0.881 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.034 -3.162 0.837 1.00 0.00 C ATOM 0 H VAL A 51 1.753 -6.076 3.217 1.00 0.00 H new ATOM 0 HA VAL A 51 0.522 -3.311 3.311 1.00 0.00 H new ATOM 0 HB VAL A 51 1.145 -5.309 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.861 -4.774 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.302 -5.629 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.550 -3.872 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.034 -3.236 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.392 -2.337 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.050 -2.981 1.188 1.00 0.00 H new ATOM 895 N ASP A 52 -1.600 -4.143 4.117 1.00 0.00 N ATOM 896 CA ASP A 52 -2.877 -4.664 4.648 1.00 0.00 C ATOM 897 C ASP A 52 -3.776 -4.902 3.439 1.00 0.00 C ATOM 898 O ASP A 52 -4.723 -4.177 3.213 1.00 0.00 O ATOM 899 CB ASP A 52 -3.434 -3.550 5.535 1.00 0.00 C ATOM 900 CG ASP A 52 -4.182 -4.164 6.719 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.079 -4.957 6.482 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.844 -3.834 7.845 1.00 0.00 O ATOM 0 H ASP A 52 -1.469 -3.135 4.201 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.788 -5.588 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.623 -2.916 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.105 -2.913 4.958 1.00 0.00 H new ATOM 907 N VAL A 53 -3.431 -5.888 2.635 1.00 0.00 N ATOM 908 CA VAL A 53 -4.203 -6.197 1.381 1.00 0.00 C ATOM 909 C VAL A 53 -5.702 -5.922 1.560 1.00 0.00 C ATOM 910 O VAL A 53 -6.371 -5.510 0.635 1.00 0.00 O ATOM 911 CB VAL A 53 -3.909 -7.686 1.060 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.875 -8.528 2.338 1.00 0.00 C ATOM 913 CG2 VAL A 53 -4.979 -8.250 0.118 1.00 0.00 C ATOM 0 H VAL A 53 -2.633 -6.502 2.799 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.898 -5.557 0.554 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.933 -7.733 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.667 -9.567 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.094 -8.153 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.839 -8.464 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.759 -9.295 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.957 -8.176 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.982 -7.680 -0.811 1.00 0.00 H new ATOM 923 N GLU A 54 -6.230 -6.112 2.735 1.00 0.00 N ATOM 924 CA GLU A 54 -7.671 -5.819 2.935 1.00 0.00 C ATOM 925 C GLU A 54 -7.918 -4.332 2.687 1.00 0.00 C ATOM 926 O GLU A 54 -8.767 -3.955 1.903 1.00 0.00 O ATOM 927 CB GLU A 54 -7.969 -6.194 4.386 1.00 0.00 C ATOM 928 CG GLU A 54 -9.308 -6.931 4.458 1.00 0.00 C ATOM 929 CD GLU A 54 -9.254 -7.980 5.572 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.248 -8.661 5.669 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.222 -8.083 6.308 1.00 0.00 O ATOM 0 H GLU A 54 -5.731 -6.454 3.556 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.314 -6.374 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.173 -6.825 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.001 -5.298 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.115 -6.223 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.523 -7.410 3.503 1.00 0.00 H new ATOM 938 N ARG A 55 -7.168 -3.485 3.331 1.00 0.00 N ATOM 939 CA ARG A 55 -7.341 -2.030 3.114 1.00 0.00 C ATOM 940 C ARG A 55 -6.726 -1.649 1.767 1.00 0.00 C ATOM 941 O ARG A 55 -7.233 -0.808 1.056 1.00 0.00 O ATOM 942 CB ARG A 55 -6.593 -1.369 4.267 1.00 0.00 C ATOM 943 CG ARG A 55 -7.573 -1.072 5.404 1.00 0.00 C ATOM 944 CD ARG A 55 -7.506 0.415 5.749 1.00 0.00 C ATOM 945 NE ARG A 55 -6.071 0.663 6.069 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.603 0.476 7.283 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.366 0.010 8.239 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.350 0.739 7.534 1.00 0.00 N ATOM 0 H ARG A 55 -6.441 -3.741 3.999 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.386 -1.720 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.796 -2.023 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.122 -0.447 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.586 -1.343 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.326 -1.672 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.838 1.031 4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.148 0.655 6.596 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.442 0.983 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.342 -0.215 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.984 -0.128 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.743 1.086 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.977 0.597 8.473 1.00 0.00 H new ATOM 962 N ALA A 56 -5.658 -2.291 1.389 1.00 0.00 N ATOM 963 CA ALA A 56 -5.055 -1.987 0.074 1.00 0.00 C ATOM 964 C ALA A 56 -6.041 -2.450 -1.004 1.00 0.00 C ATOM 965 O ALA A 56 -6.054 -1.948 -2.115 1.00 0.00 O ATOM 966 CB ALA A 56 -3.734 -2.769 0.046 1.00 0.00 C ATOM 0 H ALA A 56 -5.182 -3.009 1.934 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.857 -0.930 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.227 -2.593 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.097 -2.436 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.939 -3.834 0.156 1.00 0.00 H new ATOM 972 N ARG A 57 -6.902 -3.386 -0.666 1.00 0.00 N ATOM 973 CA ARG A 57 -7.909 -3.856 -1.647 1.00 0.00 C ATOM 974 C ARG A 57 -9.148 -2.950 -1.601 1.00 0.00 C ATOM 975 O ARG A 57 -9.911 -2.880 -2.543 1.00 0.00 O ATOM 976 CB ARG A 57 -8.271 -5.278 -1.216 1.00 0.00 C ATOM 977 CG ARG A 57 -9.340 -5.837 -2.157 1.00 0.00 C ATOM 978 CD ARG A 57 -9.268 -7.366 -2.168 1.00 0.00 C ATOM 979 NE ARG A 57 -10.468 -7.797 -2.941 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.913 -9.029 -2.863 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.313 -9.915 -2.106 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.966 -9.377 -3.548 1.00 0.00 N ATOM 0 H ARG A 57 -6.942 -3.837 0.248 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.527 -3.832 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.385 -5.913 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.639 -5.276 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.329 -5.512 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.191 -5.449 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.348 -7.716 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.283 -7.770 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.950 -7.125 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.488 -9.651 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.671 -10.869 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.438 -8.693 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.318 -10.333 -3.492 1.00 0.00 H new ATOM 996 N TYR A 58 -9.333 -2.234 -0.520 1.00 0.00 N ATOM 997 CA TYR A 58 -10.495 -1.310 -0.411 1.00 0.00 C ATOM 998 C TYR A 58 -10.343 -0.269 -1.497 1.00 0.00 C ATOM 999 O TYR A 58 -11.248 0.048 -2.243 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.333 -0.670 0.980 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.945 0.724 1.046 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.152 0.993 0.393 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.297 1.744 1.764 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.717 2.273 0.456 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.864 3.024 1.825 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.073 3.288 1.172 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.631 4.549 1.232 1.00 0.00 O ATOM 0 H TYR A 58 -8.722 -2.253 0.296 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.469 -1.787 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.803 -1.307 1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.274 -0.612 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.650 0.211 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.363 1.541 2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.650 2.477 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.367 3.808 2.377 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.957 5.217 0.987 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.175 0.259 -1.550 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.861 1.302 -2.539 1.00 0.00 C ATOM 1019 C TRP A 59 -8.989 0.737 -3.933 1.00 0.00 C ATOM 1020 O TRP A 59 -9.757 1.216 -4.740 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.445 1.707 -2.182 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.567 2.438 -0.902 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.115 2.034 0.302 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.265 3.673 -0.688 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.474 2.983 1.249 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.191 4.017 0.676 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.938 4.523 -1.563 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.781 5.185 1.161 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.535 5.695 -1.088 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.457 6.027 0.271 1.00 0.00 C ATOM 0 H TRP A 59 -8.402 0.007 -0.935 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.531 2.162 -2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.799 0.835 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.008 2.337 -2.956 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.566 1.125 0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.239 2.925 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.999 4.276 -2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.717 5.436 2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.058 6.347 -1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.919 6.934 0.632 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.288 -0.314 -4.214 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.427 -0.939 -5.554 1.00 0.00 C ATOM 1043 C LEU A 60 -9.916 -1.229 -5.805 1.00 0.00 C ATOM 1044 O LEU A 60 -10.356 -1.350 -6.931 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.615 -2.233 -5.488 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.134 -1.891 -5.332 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.352 -3.156 -4.977 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.607 -1.316 -6.648 1.00 0.00 C ATOM 0 H LEU A 60 -7.628 -0.768 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.071 -0.303 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.950 -2.844 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.771 -2.821 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.011 -1.156 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.296 -2.912 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.730 -3.567 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.472 -3.893 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.550 -1.071 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.730 -2.053 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.165 -0.414 -6.900 1.00 0.00 H new ATOM 1060 N SER A 61 -10.696 -1.323 -4.749 1.00 0.00 N ATOM 1061 CA SER A 61 -12.149 -1.584 -4.914 1.00 0.00 C ATOM 1062 C SER A 61 -12.900 -0.283 -5.230 1.00 0.00 C ATOM 1063 O SER A 61 -13.998 -0.309 -5.752 1.00 0.00 O ATOM 1064 CB SER A 61 -12.609 -2.151 -3.571 1.00 0.00 C ATOM 1065 OG SER A 61 -12.802 -3.554 -3.696 1.00 0.00 O ATOM 0 H SER A 61 -10.380 -1.229 -3.784 1.00 0.00 H new ATOM 0 HA SER A 61 -12.347 -2.270 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.867 -1.941 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.536 -1.671 -3.259 1.00 0.00 H new ATOM 0 HG SER A 61 -13.095 -3.922 -2.836 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.327 0.858 -4.926 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.030 2.131 -5.224 1.00 0.00 C ATOM 1073 C VAL A 62 -12.486 2.722 -6.527 1.00 0.00 C ATOM 1074 O VAL A 62 -12.421 3.921 -6.706 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.754 3.073 -4.033 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.001 2.354 -2.704 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.305 3.580 -4.063 1.00 0.00 C ATOM 0 H VAL A 62 -11.411 0.955 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.102 1.983 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.435 3.919 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.800 3.037 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.038 2.023 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.340 1.490 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.134 4.242 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.622 2.733 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.130 4.126 -4.990 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.095 1.875 -7.430 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.549 2.360 -8.726 1.00 0.00 C ATOM 1089 C GLY A 63 -10.170 2.985 -8.499 1.00 0.00 C ATOM 1090 O GLY A 63 -9.743 3.851 -9.238 1.00 0.00 O ATOM 0 H GLY A 63 -12.129 0.861 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.473 1.534 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.225 3.094 -9.165 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.468 2.557 -7.483 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.121 3.129 -7.216 1.00 0.00 C ATOM 1096 C ALA A 64 -7.080 2.453 -8.108 1.00 0.00 C ATOM 1097 O ALA A 64 -6.857 1.261 -8.025 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.841 2.830 -5.744 1.00 0.00 C ATOM 0 H ALA A 64 -9.771 1.836 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.078 4.198 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.861 3.223 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.605 3.301 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.857 1.752 -5.582 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.446 3.202 -8.963 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.425 2.597 -9.864 1.00 0.00 C ATOM 1106 C GLN A 65 -4.028 2.666 -9.223 1.00 0.00 C ATOM 1107 O GLN A 65 -3.592 3.721 -8.811 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.470 3.441 -11.141 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.230 4.914 -10.803 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.457 5.737 -11.197 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.178 5.375 -12.105 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.728 6.836 -10.548 1.00 0.00 N ATOM 0 H GLN A 65 -6.589 4.205 -9.078 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.628 1.544 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.713 3.093 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.437 3.324 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.032 5.025 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.349 5.280 -11.331 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.123 7.140 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.545 7.391 -10.803 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.362 1.538 -9.163 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.003 1.497 -8.579 1.00 0.00 C ATOM 1123 C PRO A 66 -0.972 1.902 -9.638 1.00 0.00 C ATOM 1124 O PRO A 66 -1.267 1.937 -10.817 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.827 0.034 -8.194 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.736 -0.733 -9.107 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.800 0.211 -9.614 1.00 0.00 C ATOM 0 HA PRO A 66 -1.871 2.174 -7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.791 -0.282 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.090 -0.131 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.172 -1.153 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.191 -1.569 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.883 0.169 -10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.780 -0.042 -9.209 1.00 0.00 H new ATOM 1135 N THR A 67 0.233 2.203 -9.238 1.00 0.00 N ATOM 1136 CA THR A 67 1.271 2.599 -10.238 1.00 0.00 C ATOM 1137 C THR A 67 1.948 1.353 -10.821 1.00 0.00 C ATOM 1138 O THR A 67 1.570 0.235 -10.525 1.00 0.00 O ATOM 1139 CB THR A 67 2.278 3.441 -9.454 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.458 2.878 -8.161 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.760 4.874 -9.323 1.00 0.00 C ATOM 0 H THR A 67 0.545 2.193 -8.267 1.00 0.00 H new ATOM 0 HA THR A 67 0.846 3.150 -11.077 1.00 0.00 H new ATOM 0 HB THR A 67 3.231 3.452 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.105 3.415 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.480 5.471 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.625 5.304 -10.315 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.806 4.869 -8.796 1.00 0.00 H new ATOM 1149 N ASP A 68 2.954 1.535 -11.640 1.00 0.00 N ATOM 1150 CA ASP A 68 3.661 0.359 -12.239 1.00 0.00 C ATOM 1151 C ASP A 68 4.721 -0.181 -11.272 1.00 0.00 C ATOM 1152 O ASP A 68 5.845 -0.449 -11.648 1.00 0.00 O ATOM 1153 CB ASP A 68 4.320 0.898 -13.509 1.00 0.00 C ATOM 1154 CG ASP A 68 3.380 0.697 -14.699 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.238 1.117 -14.603 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.817 0.125 -15.683 1.00 0.00 O ATOM 0 H ASP A 68 3.317 2.446 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 68 2.979 -0.465 -12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.551 1.957 -13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.264 0.384 -13.687 1.00 0.00 H new ATOM 1161 N THR A 69 4.364 -0.346 -10.029 1.00 0.00 N ATOM 1162 CA THR A 69 5.317 -0.870 -9.011 1.00 0.00 C ATOM 1163 C THR A 69 4.515 -1.276 -7.782 1.00 0.00 C ATOM 1164 O THR A 69 4.555 -2.407 -7.339 1.00 0.00 O ATOM 1165 CB THR A 69 6.232 0.292 -8.664 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.630 0.972 -9.846 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.468 -0.225 -7.925 1.00 0.00 C ATOM 0 H THR A 69 3.433 -0.135 -9.669 1.00 0.00 H new ATOM 0 HA THR A 69 5.887 -1.728 -9.367 1.00 0.00 H new ATOM 0 HB THR A 69 5.691 0.987 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.831 0.318 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.121 0.612 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.160 -0.727 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.005 -0.929 -8.561 1.00 0.00 H new ATOM 1175 N ALA A 70 3.756 -0.356 -7.252 1.00 0.00 N ATOM 1176 CA ALA A 70 2.912 -0.672 -6.082 1.00 0.00 C ATOM 1177 C ALA A 70 1.831 -1.640 -6.537 1.00 0.00 C ATOM 1178 O ALA A 70 1.327 -2.435 -5.769 1.00 0.00 O ATOM 1179 CB ALA A 70 2.300 0.660 -5.647 1.00 0.00 C ATOM 0 H ALA A 70 3.689 0.605 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 70 3.462 -1.129 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.659 0.500 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.096 1.358 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.708 1.073 -6.464 1.00 0.00 H new ATOM 1185 N ARG A 71 1.493 -1.601 -7.801 1.00 0.00 N ATOM 1186 CA ARG A 71 0.480 -2.538 -8.308 1.00 0.00 C ATOM 1187 C ARG A 71 1.056 -3.932 -8.178 1.00 0.00 C ATOM 1188 O ARG A 71 0.386 -4.868 -7.787 1.00 0.00 O ATOM 1189 CB ARG A 71 0.277 -2.178 -9.781 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.783 -3.099 -10.389 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.024 -2.708 -11.849 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.783 -3.854 -12.430 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.337 -3.762 -13.616 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.245 -2.661 -14.319 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.989 -4.783 -14.101 1.00 0.00 N ATOM 0 H ARG A 71 1.881 -0.958 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.467 -2.489 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.034 -1.137 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.217 -2.279 -10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.456 -4.137 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.712 -3.025 -9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.591 -1.780 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.083 -2.548 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.872 -4.720 -11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.737 -1.859 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.681 -2.606 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.065 -5.644 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.423 -4.720 -15.022 1.00 0.00 H new ATOM 1209 N ARG A 72 2.317 -4.069 -8.481 1.00 0.00 N ATOM 1210 CA ARG A 72 2.949 -5.397 -8.356 1.00 0.00 C ATOM 1211 C ARG A 72 2.984 -5.790 -6.883 1.00 0.00 C ATOM 1212 O ARG A 72 2.748 -6.926 -6.523 1.00 0.00 O ATOM 1213 CB ARG A 72 4.359 -5.236 -8.928 1.00 0.00 C ATOM 1214 CG ARG A 72 4.464 -6.018 -10.240 1.00 0.00 C ATOM 1215 CD ARG A 72 5.564 -5.414 -11.116 1.00 0.00 C ATOM 1216 NE ARG A 72 6.180 -6.580 -11.814 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.980 -7.400 -11.172 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.262 -7.214 -9.907 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.499 -8.418 -11.804 1.00 0.00 N ATOM 0 H ARG A 72 2.928 -3.320 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 72 2.408 -6.180 -8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.576 -4.182 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.098 -5.600 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.685 -7.065 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.510 -5.991 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.154 -4.698 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.299 -4.879 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 72 5.978 -6.742 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.858 -6.423 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.885 -7.860 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.282 -8.571 -12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.121 -9.060 -11.313 1.00 0.00 H new ATOM 1233 N LEU A 73 3.258 -4.847 -6.022 1.00 0.00 N ATOM 1234 CA LEU A 73 3.286 -5.148 -4.576 1.00 0.00 C ATOM 1235 C LEU A 73 1.867 -5.400 -4.089 1.00 0.00 C ATOM 1236 O LEU A 73 1.646 -6.161 -3.172 1.00 0.00 O ATOM 1237 CB LEU A 73 3.893 -3.914 -3.911 1.00 0.00 C ATOM 1238 CG LEU A 73 5.288 -3.676 -4.487 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.771 -2.274 -4.111 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.255 -4.713 -3.918 1.00 0.00 C ATOM 0 H LEU A 73 3.464 -3.878 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 73 3.869 -6.038 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.260 -3.043 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.950 -4.057 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 73 5.249 -3.765 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.766 -2.109 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.083 -1.532 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.809 -2.181 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.251 -4.545 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.289 -4.622 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.916 -5.713 -4.187 1.00 0.00 H new ATOM 1252 N LEU A 74 0.894 -4.806 -4.725 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.504 -5.074 -4.317 1.00 0.00 C ATOM 1254 C LEU A 74 -0.826 -6.500 -4.747 1.00 0.00 C ATOM 1255 O LEU A 74 -1.595 -7.201 -4.125 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.361 -4.062 -5.078 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.256 -2.697 -4.399 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.880 -1.629 -5.296 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.995 -2.735 -3.061 1.00 0.00 C ATOM 0 H LEU A 74 1.009 -4.154 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.679 -4.980 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.028 -3.992 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.400 -4.391 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.206 -2.458 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.804 -0.656 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.352 -1.601 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.929 -1.867 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.920 -1.762 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.044 -2.976 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.548 -3.495 -2.420 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.191 -6.939 -5.801 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.395 -8.319 -6.286 1.00 0.00 C ATOM 1273 C ARG A 75 0.449 -9.258 -5.430 1.00 0.00 C ATOM 1274 O ARG A 75 0.129 -10.416 -5.245 1.00 0.00 O ATOM 1275 CB ARG A 75 0.110 -8.301 -7.729 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.508 -9.461 -8.511 1.00 0.00 C ATOM 1277 CD ARG A 75 0.173 -10.769 -8.105 1.00 0.00 C ATOM 1278 NE ARG A 75 0.465 -11.466 -9.391 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.256 -12.513 -9.425 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.805 -12.978 -8.330 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.497 -13.100 -10.565 1.00 0.00 N ATOM 0 H ARG A 75 0.468 -6.386 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.431 -8.654 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.148 -7.354 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.197 -8.379 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.578 -9.519 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.391 -9.295 -9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.087 -10.580 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.475 -11.371 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 75 0.045 -11.125 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.620 -12.525 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.417 -13.793 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.072 -12.745 -11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.111 -13.914 -10.600 1.00 0.00 H new ATOM 1295 N GLN A 76 1.534 -8.753 -4.906 1.00 0.00 N ATOM 1296 CA GLN A 76 2.417 -9.579 -4.061 1.00 0.00 C ATOM 1297 C GLN A 76 1.900 -9.602 -2.631 1.00 0.00 C ATOM 1298 O GLN A 76 2.017 -10.584 -1.925 1.00 0.00 O ATOM 1299 CB GLN A 76 3.769 -8.889 -4.170 1.00 0.00 C ATOM 1300 CG GLN A 76 4.888 -9.922 -4.051 1.00 0.00 C ATOM 1301 CD GLN A 76 5.526 -10.136 -5.424 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.790 -9.103 -6.178 1.00 0.00 O flip ATOM 1303 NE2 GLN A 76 5.788 -11.256 -5.817 1.00 0.00 N flip ATOM 0 H GLN A 76 1.842 -7.789 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 76 2.469 -10.623 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.845 -8.366 -5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.869 -8.139 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.638 -9.582 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.491 -10.863 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.582 -12.064 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.213 -11.388 -6.735 1.00 0.00 H new ATOM 1312 N ALA A 77 1.302 -8.536 -2.217 1.00 0.00 N ATOM 1313 CA ALA A 77 0.735 -8.483 -0.848 1.00 0.00 C ATOM 1314 C ALA A 77 -0.433 -9.472 -0.730 1.00 0.00 C ATOM 1315 O ALA A 77 -0.907 -9.758 0.351 1.00 0.00 O ATOM 1316 CB ALA A 77 0.244 -7.046 -0.674 1.00 0.00 C ATOM 0 H ALA A 77 1.178 -7.688 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 77 1.464 -8.754 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.191 -6.928 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.082 -6.359 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.511 -6.825 -1.429 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.893 -10.009 -1.835 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.016 -10.988 -1.773 1.00 0.00 C ATOM 1324 C GLY A 78 -3.348 -10.315 -2.129 1.00 0.00 C ATOM 1325 O GLY A 78 -4.404 -10.858 -1.867 1.00 0.00 O ATOM 0 H GLY A 78 -0.539 -9.811 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.825 -11.811 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.076 -11.416 -0.772 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.325 -9.149 -2.721 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.613 -8.483 -3.074 1.00 0.00 C ATOM 1331 C VAL A 79 -5.228 -9.146 -4.310 1.00 0.00 C ATOM 1332 O VAL A 79 -6.363 -9.578 -4.293 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.277 -7.023 -3.358 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.574 -6.225 -3.497 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.450 -6.440 -2.206 1.00 0.00 C ATOM 0 H VAL A 79 -2.481 -8.635 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.340 -8.567 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.700 -6.963 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.338 -5.180 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.164 -6.630 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.145 -6.295 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.215 -5.397 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.022 -6.502 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.525 -7.006 -2.100 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.487 -9.234 -5.382 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.030 -9.875 -6.615 1.00 0.00 C ATOM 1347 C PHE A 80 -3.914 -10.609 -7.362 1.00 0.00 C ATOM 1348 O PHE A 80 -2.789 -10.672 -6.907 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.578 -8.724 -7.463 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.496 -7.695 -7.692 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.478 -7.940 -8.622 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.515 -6.492 -6.976 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.479 -6.982 -8.833 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.516 -5.535 -7.188 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.499 -5.779 -8.115 1.00 0.00 C ATOM 0 H PHE A 80 -3.530 -8.890 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.801 -10.611 -6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.939 -9.104 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.429 -8.264 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.464 -8.867 -9.176 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.301 -6.302 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.693 -7.170 -9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.531 -4.607 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.728 -5.040 -8.278 1.00 0.00 H new ATOM 1365 N ARG A 81 -4.215 -11.165 -8.503 1.00 0.00 N ATOM 1366 CA ARG A 81 -3.165 -11.894 -9.273 1.00 0.00 C ATOM 1367 C ARG A 81 -3.321 -11.624 -10.772 1.00 0.00 C ATOM 1368 O ARG A 81 -2.423 -11.120 -11.417 1.00 0.00 O ATOM 1369 CB ARG A 81 -3.402 -13.373 -8.967 1.00 0.00 C ATOM 1370 CG ARG A 81 -3.210 -13.621 -7.470 1.00 0.00 C ATOM 1371 CD ARG A 81 -2.543 -14.981 -7.257 1.00 0.00 C ATOM 1372 NE ARG A 81 -1.617 -14.781 -6.103 1.00 0.00 N ATOM 1373 CZ ARG A 81 -0.878 -15.770 -5.656 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -0.940 -16.958 -6.202 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -0.071 -15.565 -4.649 1.00 0.00 N ATOM 0 H ARG A 81 -5.139 -11.147 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.159 -11.577 -8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.409 -13.661 -9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.710 -13.990 -9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.596 -12.832 -7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.173 -13.593 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.281 -15.753 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.001 -15.298 -8.148 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.558 -13.866 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.569 -17.126 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.359 -17.715 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.019 -14.643 -4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.507 -16.327 -4.295 1.00 0.00 H new ATOM 1389 N GLN A 82 -4.451 -11.957 -11.333 1.00 0.00 N ATOM 1390 CA GLN A 82 -4.653 -11.717 -12.790 1.00 0.00 C ATOM 1391 C GLN A 82 -6.141 -11.785 -13.142 1.00 0.00 C ATOM 1392 O GLN A 82 -6.619 -12.765 -13.680 1.00 0.00 O ATOM 1393 CB GLN A 82 -3.886 -12.842 -13.484 1.00 0.00 C ATOM 1394 CG GLN A 82 -2.710 -12.252 -14.266 1.00 0.00 C ATOM 1395 CD GLN A 82 -1.703 -13.358 -14.588 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -2.082 -14.479 -14.865 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -0.426 -13.088 -14.564 1.00 0.00 N ATOM 0 H GLN A 82 -5.240 -12.383 -10.848 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.303 -10.732 -13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.523 -13.558 -12.746 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.548 -13.386 -14.158 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.067 -11.791 -15.187 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.229 -11.467 -13.683 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.108 -12.147 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.254 -13.818 -14.778 1.00 0.00 H new ATOM 1406 N GLU A 83 -6.878 -10.750 -12.845 1.00 0.00 N ATOM 1407 CA GLU A 83 -8.334 -10.754 -13.167 1.00 0.00 C ATOM 1408 C GLU A 83 -8.556 -10.252 -14.596 1.00 0.00 C ATOM 1409 O GLU A 83 -7.627 -9.873 -15.282 1.00 0.00 O ATOM 1410 CB GLU A 83 -8.969 -9.798 -12.157 1.00 0.00 C ATOM 1411 CG GLU A 83 -8.962 -10.442 -10.769 1.00 0.00 C ATOM 1412 CD GLU A 83 -10.398 -10.561 -10.253 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -10.990 -9.534 -9.965 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -10.879 -11.678 -10.153 1.00 0.00 O ATOM 0 H GLU A 83 -6.536 -9.902 -12.393 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.768 -11.752 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.419 -8.857 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.991 -9.563 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.499 -11.427 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.366 -9.842 -10.081 1.00 0.00 H new ATOM 1421 N ALA A 84 -9.779 -10.245 -15.049 1.00 0.00 N ATOM 1422 CA ALA A 84 -10.057 -9.768 -16.434 1.00 0.00 C ATOM 1423 C ALA A 84 -11.566 -9.670 -16.667 1.00 0.00 C ATOM 1424 O ALA A 84 -12.070 -10.042 -17.708 1.00 0.00 O ATOM 1425 CB ALA A 84 -9.441 -10.829 -17.347 1.00 0.00 C ATOM 0 H ALA A 84 -10.597 -10.548 -14.521 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.643 -8.777 -16.621 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.603 -10.551 -18.388 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.371 -10.899 -17.152 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.910 -11.794 -17.152 1.00 0.00 H new ATOM 1431 N ARG A 85 -12.292 -9.171 -15.703 1.00 0.00 N ATOM 1432 CA ARG A 85 -13.768 -9.049 -15.871 1.00 0.00 C ATOM 1433 C ARG A 85 -14.282 -7.805 -15.139 1.00 0.00 C ATOM 1434 O ARG A 85 -15.279 -7.848 -14.446 1.00 0.00 O ATOM 1435 CB ARG A 85 -14.345 -10.320 -15.244 1.00 0.00 C ATOM 1436 CG ARG A 85 -14.906 -11.222 -16.347 1.00 0.00 C ATOM 1437 CD ARG A 85 -14.689 -12.689 -15.968 1.00 0.00 C ATOM 1438 NE ARG A 85 -16.029 -13.171 -15.522 1.00 0.00 N ATOM 1439 CZ ARG A 85 -16.167 -14.347 -14.956 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -15.134 -15.128 -14.764 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -17.352 -14.742 -14.579 1.00 0.00 N ATOM 0 H ARG A 85 -11.927 -8.843 -14.808 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.058 -8.944 -16.916 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.571 -10.847 -14.686 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.131 -10.064 -14.534 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.969 -11.025 -16.487 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.414 -11.004 -17.295 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.323 -13.267 -16.817 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.949 -12.787 -15.174 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.848 -12.579 -15.659 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.205 -14.825 -15.056 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.259 -16.039 -14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.161 -14.138 -14.725 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.469 -15.654 -14.138 1.00 0.00 H new ATOM 1455 N GLU A 86 -13.607 -6.697 -15.287 1.00 0.00 N ATOM 1456 CA GLU A 86 -14.053 -5.450 -14.601 1.00 0.00 C ATOM 1457 C GLU A 86 -15.490 -5.110 -15.006 1.00 0.00 C ATOM 1458 O GLU A 86 -15.973 -5.540 -16.036 1.00 0.00 O ATOM 1459 CB GLU A 86 -13.091 -4.365 -15.087 1.00 0.00 C ATOM 1460 CG GLU A 86 -11.843 -4.353 -14.200 1.00 0.00 C ATOM 1461 CD GLU A 86 -11.352 -2.913 -14.030 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -12.110 -2.105 -13.520 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -10.225 -2.644 -14.412 1.00 0.00 O ATOM 0 H GLU A 86 -12.765 -6.601 -15.854 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.042 -5.549 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.811 -4.550 -16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.580 -3.391 -15.058 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.071 -4.788 -13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.060 -4.965 -14.647 1.00 0.00 H new ATOM 1470 N GLY A 87 -16.176 -4.339 -14.207 1.00 0.00 N ATOM 1471 CA GLY A 87 -17.579 -3.972 -14.550 1.00 0.00 C ATOM 1472 C GLY A 87 -18.455 -4.059 -13.300 1.00 0.00 C ATOM 1473 O GLY A 87 -18.802 -3.060 -12.702 1.00 0.00 O ATOM 0 H GLY A 87 -15.826 -3.948 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.611 -2.962 -14.959 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.962 -4.640 -15.321 1.00 0.00 H new ATOM 1477 N ALA A 88 -18.822 -5.246 -12.902 1.00 0.00 N ATOM 1478 CA ALA A 88 -19.678 -5.394 -11.692 1.00 0.00 C ATOM 1479 C ALA A 88 -19.165 -6.541 -10.816 1.00 0.00 C ATOM 1480 O ALA A 88 -18.330 -6.281 -9.966 1.00 0.00 O ATOM 1481 CB ALA A 88 -21.073 -5.714 -12.231 1.00 0.00 C ATOM 1482 OXT ALA A 88 -19.615 -7.657 -11.012 1.00 0.00 O ATOM 0 H ALA A 88 -18.566 -6.119 -13.362 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.675 -4.497 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.765 -5.838 -11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -21.414 -4.897 -12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.036 -6.635 -12.812 1.00 0.00 H new TER 1488 ALA A 88