USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 616 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 1 MET CE :methyl 156:sc= -0.0977 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0387 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 114:sc= -0.721! USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0908) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00811 USER MOD Single : A 11 SER OG : rot 65:sc= 0.898 USER MOD Single : A 26 SER OG : rot 77:sc= 1.2 USER MOD Single : A 30 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.5!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.638 USER MOD Single : A 48 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.4 F(o=-3.6!,f=-2.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -85:sc= 0.238 USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= -0.267 (180deg=-1.39) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 70 THR OG1 : rot 78:sc= -1.49 USER MOD Single : A 73 SER OG : rot -28:sc= 0.138 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.832 3.888 -0.721 1.00 0.00 N ATOM 2 CA MET A 1 -13.056 2.618 -0.633 1.00 0.00 C ATOM 3 C MET A 1 -11.997 2.754 0.454 1.00 0.00 C ATOM 4 O MET A 1 -11.394 3.818 0.605 1.00 0.00 O ATOM 5 CB MET A 1 -12.385 2.345 -1.983 1.00 0.00 C ATOM 6 CG MET A 1 -11.565 1.054 -1.898 1.00 0.00 C ATOM 7 SD MET A 1 -10.911 0.638 -3.536 1.00 0.00 S ATOM 8 CE MET A 1 -9.768 2.030 -3.717 1.00 0.00 C ATOM 0 H1 MET A 1 -13.948 4.156 -1.719 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.768 3.754 -0.288 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.322 4.642 -0.217 1.00 0.00 H new ATOM 0 HA MET A 1 -13.721 1.790 -0.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.140 2.257 -2.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.740 3.180 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.746 1.178 -1.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.188 0.240 -1.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.978 1.763 -4.419 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.309 2.898 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.328 2.268 -2.749 1.00 0.00 H new ATOM 20 N ARG A 2 -11.759 1.673 1.204 1.00 0.00 N ATOM 21 CA ARG A 2 -10.747 1.690 2.271 1.00 0.00 C ATOM 22 C ARG A 2 -9.727 0.576 2.044 1.00 0.00 C ATOM 23 O ARG A 2 -10.091 -0.571 1.779 1.00 0.00 O ATOM 24 CB ARG A 2 -11.415 1.511 3.639 1.00 0.00 C ATOM 25 CG ARG A 2 -12.218 2.769 3.985 1.00 0.00 C ATOM 26 CD ARG A 2 -12.876 2.601 5.357 1.00 0.00 C ATOM 27 NE ARG A 2 -13.682 3.776 5.675 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.154 3.976 6.902 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.336 4.272 7.875 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.434 3.878 7.135 1.00 0.00 N ATOM 0 H ARG A 2 -12.246 0.783 1.096 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.235 2.652 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.071 0.641 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.660 1.327 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.563 3.640 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.979 2.946 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.502 1.709 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.111 2.458 6.120 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.887 4.456 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.335 4.350 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.698 4.426 8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.074 3.648 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.794 4.032 8.077 1.00 0.00 H new ATOM 44 N ILE A 3 -8.449 0.929 2.141 1.00 0.00 N ATOM 45 CA ILE A 3 -7.360 -0.031 1.934 1.00 0.00 C ATOM 46 C ILE A 3 -6.511 -0.157 3.195 1.00 0.00 C ATOM 47 O ILE A 3 -5.997 0.842 3.699 1.00 0.00 O ATOM 48 CB ILE A 3 -6.466 0.460 0.795 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.294 0.576 -0.489 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.330 -0.541 0.571 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.494 1.337 -1.547 1.00 0.00 C ATOM 0 H ILE A 3 -8.137 1.875 2.362 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.793 -1.001 1.692 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.051 1.434 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.553 -0.416 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.231 1.094 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.692 -0.192 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.740 -0.632 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.748 -1.514 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.084 1.419 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.258 2.335 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.569 0.801 -1.759 1.00 0.00 H new ATOM 63 N GLU A 4 -6.355 -1.382 3.697 1.00 0.00 N ATOM 64 CA GLU A 4 -5.545 -1.616 4.903 1.00 0.00 C ATOM 65 C GLU A 4 -4.426 -2.622 4.644 1.00 0.00 C ATOM 66 O GLU A 4 -4.658 -3.703 4.103 1.00 0.00 O ATOM 67 CB GLU A 4 -6.419 -2.120 6.054 1.00 0.00 C ATOM 68 CG GLU A 4 -7.475 -1.072 6.407 1.00 0.00 C ATOM 69 CD GLU A 4 -8.341 -1.581 7.553 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.363 -2.782 7.766 1.00 0.00 O ATOM 71 OE2 GLU A 4 -8.973 -0.762 8.202 1.00 0.00 O ATOM 0 H GLU A 4 -6.772 -2.222 3.296 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.097 -0.661 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.903 -3.055 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.800 -2.332 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.992 -0.137 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.095 -0.859 5.536 1.00 0.00 H new ATOM 78 N VAL A 5 -3.209 -2.241 5.031 1.00 0.00 N ATOM 79 CA VAL A 5 -2.035 -3.104 4.834 1.00 0.00 C ATOM 80 C VAL A 5 -1.371 -3.445 6.168 1.00 0.00 C ATOM 81 O VAL A 5 -1.132 -2.571 6.997 1.00 0.00 O ATOM 82 CB VAL A 5 -1.023 -2.391 3.935 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.022 -3.395 3.432 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.750 -1.745 2.745 1.00 0.00 C ATOM 0 H VAL A 5 -3.006 -1.348 5.480 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.367 -4.031 4.366 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.519 -1.612 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.740 -2.883 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.543 -3.835 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.474 -4.182 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.025 -1.238 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.263 -2.516 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.478 -1.022 3.112 1.00 0.00 H new ATOM 94 N THR A 6 -1.062 -4.731 6.364 1.00 0.00 N ATOM 95 CA THR A 6 -0.407 -5.193 7.596 1.00 0.00 C ATOM 96 C THR A 6 0.925 -5.837 7.260 1.00 0.00 C ATOM 97 O THR A 6 1.026 -6.650 6.340 1.00 0.00 O ATOM 98 CB THR A 6 -1.292 -6.201 8.329 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.300 -7.428 7.615 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.721 -5.660 8.437 1.00 0.00 C ATOM 0 H THR A 6 -1.254 -5.470 5.688 1.00 0.00 H new ATOM 0 HA THR A 6 -0.243 -4.333 8.245 1.00 0.00 H new ATOM 0 HB THR A 6 -0.897 -6.364 9.332 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.868 -8.123 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.346 -6.384 8.960 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.714 -4.720 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.122 -5.490 7.438 1.00 0.00 H new ATOM 108 N ILE A 7 1.943 -5.469 8.027 1.00 0.00 N ATOM 109 CA ILE A 7 3.293 -5.998 7.851 1.00 0.00 C ATOM 110 C ILE A 7 3.686 -6.828 9.072 1.00 0.00 C ATOM 111 O ILE A 7 3.522 -6.386 10.209 1.00 0.00 O ATOM 112 CB ILE A 7 4.256 -4.816 7.679 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.154 -4.258 6.237 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.710 -5.237 7.998 1.00 0.00 C ATOM 115 CD1 ILE A 7 5.071 -5.030 5.272 1.00 0.00 C ATOM 0 H ILE A 7 1.858 -4.796 8.789 1.00 0.00 H new ATOM 0 HA ILE A 7 3.336 -6.640 6.971 1.00 0.00 H new ATOM 0 HB ILE A 7 3.973 -4.032 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.122 -4.323 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.425 -3.202 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.373 -4.382 7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.769 -5.590 9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.014 -6.037 7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.976 -4.614 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.105 -4.943 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.782 -6.081 5.258 1.00 0.00 H new ATOM 127 N ALA A 8 4.205 -8.029 8.834 1.00 0.00 N ATOM 128 CA ALA A 8 4.612 -8.897 9.931 1.00 0.00 C ATOM 129 C ALA A 8 5.772 -8.274 10.693 1.00 0.00 C ATOM 130 O ALA A 8 6.752 -7.798 10.122 1.00 0.00 O ATOM 131 CB ALA A 8 5.037 -10.253 9.375 1.00 0.00 C ATOM 0 H ALA A 8 4.352 -8.419 7.903 1.00 0.00 H new ATOM 0 HA ALA A 8 3.771 -9.026 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.342 -10.903 10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.200 -10.707 8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.873 -10.119 8.688 1.00 0.00 H new ATOM 137 N LYS A 9 5.596 -8.273 12.007 1.00 0.00 N ATOM 138 CA LYS A 9 6.562 -7.697 12.925 1.00 0.00 C ATOM 139 C LYS A 9 7.926 -8.379 12.813 1.00 0.00 C ATOM 140 O LYS A 9 8.952 -7.768 13.115 1.00 0.00 O ATOM 141 CB LYS A 9 6.023 -7.746 14.361 1.00 0.00 C ATOM 142 CG LYS A 9 7.027 -7.128 15.352 1.00 0.00 C ATOM 143 CD LYS A 9 6.445 -7.202 16.767 1.00 0.00 C ATOM 144 CE LYS A 9 7.512 -6.791 17.785 1.00 0.00 C ATOM 145 NZ LYS A 9 8.473 -7.913 17.978 1.00 0.00 N ATOM 0 H LYS A 9 4.777 -8.673 12.465 1.00 0.00 H new ATOM 0 HA LYS A 9 6.711 -6.653 12.650 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.076 -7.209 14.416 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.820 -8.780 14.641 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.976 -7.662 15.308 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.231 -6.092 15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.578 -6.546 16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.100 -8.214 16.976 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.039 -5.903 17.437 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.043 -6.532 18.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.071 -7.719 18.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.948 -8.798 18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.072 -8.006 17.133 1.00 0.00 H new ATOM 159 N THR A 10 7.945 -9.634 12.358 1.00 0.00 N ATOM 160 CA THR A 10 9.205 -10.358 12.193 1.00 0.00 C ATOM 161 C THR A 10 10.058 -9.670 11.135 1.00 0.00 C ATOM 162 O THR A 10 11.240 -9.979 10.985 1.00 0.00 O ATOM 163 CB THR A 10 8.931 -11.799 11.753 1.00 0.00 C ATOM 164 OG1 THR A 10 8.007 -11.797 10.674 1.00 0.00 O ATOM 165 CG2 THR A 10 8.359 -12.599 12.924 1.00 0.00 C ATOM 0 H THR A 10 7.112 -10.164 12.100 1.00 0.00 H new ATOM 0 HA THR A 10 9.732 -10.364 13.147 1.00 0.00 H new ATOM 0 HB THR A 10 9.864 -12.261 11.429 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.833 -12.719 10.391 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.166 -13.623 12.605 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.075 -12.604 13.746 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.428 -12.141 13.257 1.00 0.00 H new ATOM 173 N SER A 11 9.456 -8.733 10.400 1.00 0.00 N ATOM 174 CA SER A 11 10.167 -7.994 9.350 1.00 0.00 C ATOM 175 C SER A 11 10.120 -6.490 9.637 1.00 0.00 C ATOM 176 O SER A 11 9.292 -5.775 9.074 1.00 0.00 O ATOM 177 CB SER A 11 9.511 -8.270 7.995 1.00 0.00 C ATOM 178 OG SER A 11 8.268 -7.584 7.927 1.00 0.00 O ATOM 0 H SER A 11 8.478 -8.467 10.511 1.00 0.00 H new ATOM 0 HA SER A 11 11.206 -8.322 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.165 -7.942 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.356 -9.341 7.864 1.00 0.00 H new ATOM 0 HG SER A 11 8.427 -6.617 7.942 1.00 0.00 H new ATOM 184 N PRO A 12 10.980 -6.000 10.502 1.00 0.00 N ATOM 185 CA PRO A 12 11.027 -4.559 10.869 1.00 0.00 C ATOM 186 C PRO A 12 11.631 -3.667 9.778 1.00 0.00 C ATOM 187 O PRO A 12 12.692 -3.968 9.232 1.00 0.00 O ATOM 188 CB PRO A 12 11.832 -4.500 12.187 1.00 0.00 C ATOM 189 CG PRO A 12 12.216 -5.924 12.508 1.00 0.00 C ATOM 190 CD PRO A 12 12.012 -6.747 11.230 1.00 0.00 C ATOM 0 HA PRO A 12 10.019 -4.161 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.717 -3.874 12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.234 -4.067 12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.253 -5.978 12.839 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.602 -6.315 13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.933 -6.826 10.652 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.688 -7.763 11.455 1.00 0.00 H new ATOM 198 N LEU A 13 10.956 -2.551 9.497 1.00 0.00 N ATOM 199 CA LEU A 13 11.428 -1.583 8.508 1.00 0.00 C ATOM 200 C LEU A 13 11.960 -0.356 9.258 1.00 0.00 C ATOM 201 O LEU A 13 11.473 -0.049 10.346 1.00 0.00 O ATOM 202 CB LEU A 13 10.273 -1.187 7.585 1.00 0.00 C ATOM 203 CG LEU A 13 9.533 -2.449 7.108 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.480 -2.074 6.053 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.536 -3.449 6.498 1.00 0.00 C ATOM 0 H LEU A 13 10.076 -2.295 9.944 1.00 0.00 H new ATOM 0 HA LEU A 13 12.221 -2.014 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.584 -0.527 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.654 -0.631 6.728 1.00 0.00 H new ATOM 0 HG LEU A 13 9.039 -2.910 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.961 -2.973 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.761 -1.380 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.970 -1.603 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.004 -4.339 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.040 -2.987 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.274 -3.729 7.250 1.00 0.00 H new ATOM 217 N PRO A 14 12.956 0.330 8.748 1.00 0.00 N ATOM 218 CA PRO A 14 13.535 1.501 9.463 1.00 0.00 C ATOM 219 C PRO A 14 12.454 2.460 9.979 1.00 0.00 C ATOM 220 O PRO A 14 11.375 2.586 9.402 1.00 0.00 O ATOM 221 CB PRO A 14 14.489 2.174 8.455 1.00 0.00 C ATOM 222 CG PRO A 14 14.402 1.371 7.174 1.00 0.00 C ATOM 223 CD PRO A 14 13.640 0.069 7.476 1.00 0.00 C ATOM 0 HA PRO A 14 14.070 1.191 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.201 3.211 8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.510 2.186 8.836 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.888 1.942 6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.400 1.149 6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.929 -0.168 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.320 -0.779 7.558 1.00 0.00 H new ATOM 231 N ALA A 15 12.786 3.096 11.103 1.00 0.00 N ATOM 232 CA ALA A 15 11.905 4.040 11.795 1.00 0.00 C ATOM 233 C ALA A 15 11.446 5.196 10.903 1.00 0.00 C ATOM 234 O ALA A 15 11.542 6.359 11.298 1.00 0.00 O ATOM 235 CB ALA A 15 12.662 4.619 12.989 1.00 0.00 C ATOM 0 H ALA A 15 13.686 2.969 11.565 1.00 0.00 H new ATOM 0 HA ALA A 15 11.014 3.492 12.101 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.022 5.325 13.518 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.948 3.813 13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.557 5.133 12.638 1.00 0.00 H new ATOM 241 N GLY A 16 10.951 4.892 9.711 1.00 0.00 N ATOM 242 CA GLY A 16 10.492 5.935 8.799 1.00 0.00 C ATOM 243 C GLY A 16 9.881 5.332 7.544 1.00 0.00 C ATOM 244 O GLY A 16 9.194 6.007 6.782 1.00 0.00 O ATOM 0 H GLY A 16 10.857 3.941 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.756 6.563 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.328 6.579 8.527 1.00 0.00 H new ATOM 248 N ALA A 17 10.191 4.062 7.318 1.00 0.00 N ATOM 249 CA ALA A 17 9.734 3.364 6.127 1.00 0.00 C ATOM 250 C ALA A 17 8.226 3.116 6.069 1.00 0.00 C ATOM 251 O ALA A 17 7.617 3.296 5.014 1.00 0.00 O ATOM 252 CB ALA A 17 10.522 2.058 5.945 1.00 0.00 C ATOM 0 H ALA A 17 10.759 3.494 7.947 1.00 0.00 H new ATOM 0 HA ALA A 17 9.934 4.035 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.172 1.543 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.583 2.285 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.371 1.418 6.814 1.00 0.00 H new ATOM 258 N ILE A 18 7.618 2.701 7.167 1.00 0.00 N ATOM 259 CA ILE A 18 6.183 2.451 7.142 1.00 0.00 C ATOM 260 C ILE A 18 5.428 3.726 6.772 1.00 0.00 C ATOM 261 O ILE A 18 4.590 3.723 5.869 1.00 0.00 O ATOM 262 CB ILE A 18 5.717 1.917 8.501 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.262 0.483 8.706 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.181 1.923 8.573 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.330 -0.567 8.080 1.00 0.00 C ATOM 0 H ILE A 18 8.076 2.533 8.063 1.00 0.00 H new ATOM 0 HA ILE A 18 5.969 1.697 6.384 1.00 0.00 H new ATOM 0 HB ILE A 18 6.101 2.560 9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.254 0.402 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.373 0.283 9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.861 1.542 9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.815 2.942 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.777 1.290 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.743 -1.563 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.346 -0.502 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.240 -0.382 7.010 1.00 0.00 H new ATOM 277 N ASP A 19 5.746 4.820 7.457 1.00 0.00 N ATOM 278 CA ASP A 19 5.094 6.086 7.156 1.00 0.00 C ATOM 279 C ASP A 19 5.381 6.453 5.709 1.00 0.00 C ATOM 280 O ASP A 19 4.500 6.949 5.006 1.00 0.00 O ATOM 281 CB ASP A 19 5.535 7.197 8.111 1.00 0.00 C ATOM 282 CG ASP A 19 4.662 8.433 7.913 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.855 8.422 6.997 1.00 0.00 O ATOM 284 OD2 ASP A 19 4.810 9.369 8.680 1.00 0.00 O ATOM 0 H ASP A 19 6.436 4.856 8.208 1.00 0.00 H new ATOM 0 HA ASP A 19 4.019 5.972 7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.462 6.852 9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.581 7.448 7.932 1.00 0.00 H new ATOM 289 N ALA A 20 6.610 6.206 5.258 1.00 0.00 N ATOM 290 CA ALA A 20 6.957 6.522 3.883 1.00 0.00 C ATOM 291 C ALA A 20 6.149 5.655 2.915 1.00 0.00 C ATOM 292 O ALA A 20 5.664 6.134 1.889 1.00 0.00 O ATOM 293 CB ALA A 20 8.465 6.343 3.649 1.00 0.00 C ATOM 0 H ALA A 20 7.362 5.798 5.813 1.00 0.00 H new ATOM 0 HA ALA A 20 6.708 7.567 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.704 6.585 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.018 7.007 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.745 5.310 3.854 1.00 0.00 H new ATOM 299 N LEU A 21 6.008 4.378 3.259 1.00 0.00 N ATOM 300 CA LEU A 21 5.263 3.426 2.454 1.00 0.00 C ATOM 301 C LEU A 21 3.803 3.842 2.309 1.00 0.00 C ATOM 302 O LEU A 21 3.255 3.864 1.206 1.00 0.00 O ATOM 303 CB LEU A 21 5.396 2.049 3.129 1.00 0.00 C ATOM 304 CG LEU A 21 4.456 1.022 2.503 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.812 0.798 1.032 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.588 -0.304 3.258 1.00 0.00 C ATOM 0 H LEU A 21 6.410 3.977 4.107 1.00 0.00 H new ATOM 0 HA LEU A 21 5.667 3.388 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.425 1.700 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.177 2.142 4.193 1.00 0.00 H new ATOM 0 HG LEU A 21 3.433 1.393 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.132 0.063 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.722 1.738 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.836 0.433 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.919 -1.042 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.616 -0.660 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.323 -0.155 4.305 1.00 0.00 H new ATOM 318 N ALA A 22 3.184 4.168 3.439 1.00 0.00 N ATOM 319 CA ALA A 22 1.789 4.583 3.446 1.00 0.00 C ATOM 320 C ALA A 22 1.620 5.824 2.578 1.00 0.00 C ATOM 321 O ALA A 22 0.638 5.935 1.844 1.00 0.00 O ATOM 322 CB ALA A 22 1.321 4.876 4.873 1.00 0.00 C ATOM 0 H ALA A 22 3.626 4.152 4.358 1.00 0.00 H new ATOM 0 HA ALA A 22 1.180 3.773 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.276 5.185 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.425 3.978 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.929 5.675 5.298 1.00 0.00 H new ATOM 328 N GLY A 23 2.566 6.738 2.638 1.00 0.00 N ATOM 329 CA GLY A 23 2.497 7.944 1.826 1.00 0.00 C ATOM 330 C GLY A 23 2.647 7.631 0.342 1.00 0.00 C ATOM 331 O GLY A 23 1.897 8.161 -0.478 1.00 0.00 O ATOM 0 H GLY A 23 3.390 6.673 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.544 8.445 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.281 8.636 2.134 1.00 0.00 H new ATOM 335 N GLU A 24 3.607 6.787 -0.021 1.00 0.00 N ATOM 336 CA GLU A 24 3.792 6.466 -1.433 1.00 0.00 C ATOM 337 C GLU A 24 2.564 5.736 -1.973 1.00 0.00 C ATOM 338 O GLU A 24 2.103 6.023 -3.076 1.00 0.00 O ATOM 339 CB GLU A 24 5.067 5.619 -1.622 1.00 0.00 C ATOM 340 CG GLU A 24 5.642 5.849 -3.025 1.00 0.00 C ATOM 341 CD GLU A 24 4.641 5.400 -4.084 1.00 0.00 C ATOM 342 OE1 GLU A 24 3.905 4.464 -3.818 1.00 0.00 O ATOM 343 OE2 GLU A 24 4.624 6.000 -5.145 1.00 0.00 O ATOM 0 H GLU A 24 4.252 6.325 0.620 1.00 0.00 H new ATOM 0 HA GLU A 24 3.911 7.392 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.807 5.886 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.837 4.563 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.878 6.905 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.575 5.297 -3.139 1.00 0.00 H new ATOM 350 N LEU A 25 2.034 4.796 -1.199 1.00 0.00 N ATOM 351 CA LEU A 25 0.862 4.049 -1.640 1.00 0.00 C ATOM 352 C LEU A 25 -0.349 4.952 -1.853 1.00 0.00 C ATOM 353 O LEU A 25 -1.079 4.793 -2.826 1.00 0.00 O ATOM 354 CB LEU A 25 0.501 2.943 -0.641 1.00 0.00 C ATOM 355 CG LEU A 25 1.553 1.823 -0.672 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.282 0.863 0.491 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.488 1.043 -2.006 1.00 0.00 C ATOM 0 H LEU A 25 2.389 4.536 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 25 1.127 3.599 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.435 3.360 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.481 2.534 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 25 2.545 2.265 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.021 0.062 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.347 1.406 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.284 0.437 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.242 0.256 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.499 0.598 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.677 1.724 -2.835 1.00 0.00 H new ATOM 369 N SER A 26 -0.564 5.893 -0.945 1.00 0.00 N ATOM 370 CA SER A 26 -1.708 6.790 -1.064 1.00 0.00 C ATOM 371 C SER A 26 -1.661 7.595 -2.357 1.00 0.00 C ATOM 372 O SER A 26 -2.668 7.708 -3.057 1.00 0.00 O ATOM 373 CB SER A 26 -1.745 7.743 0.132 1.00 0.00 C ATOM 374 OG SER A 26 -1.872 6.985 1.328 1.00 0.00 O ATOM 0 H SER A 26 0.027 6.055 -0.130 1.00 0.00 H new ATOM 0 HA SER A 26 -2.610 6.178 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.836 8.344 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.581 8.435 0.035 1.00 0.00 H new ATOM 0 HG SER A 26 -1.006 6.587 1.557 1.00 0.00 H new ATOM 380 N ARG A 27 -0.503 8.153 -2.683 1.00 0.00 N ATOM 381 CA ARG A 27 -0.383 8.932 -3.909 1.00 0.00 C ATOM 382 C ARG A 27 -0.712 8.059 -5.120 1.00 0.00 C ATOM 383 O ARG A 27 -1.400 8.501 -6.038 1.00 0.00 O ATOM 384 CB ARG A 27 1.037 9.505 -4.033 1.00 0.00 C ATOM 385 CG ARG A 27 1.167 10.326 -5.323 1.00 0.00 C ATOM 386 CD ARG A 27 2.585 10.891 -5.427 1.00 0.00 C ATOM 387 NE ARG A 27 2.866 11.765 -4.293 1.00 0.00 N ATOM 388 CZ ARG A 27 3.914 12.583 -4.298 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.439 12.966 -5.430 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.418 13.004 -3.171 1.00 0.00 N ATOM 0 H ARG A 27 0.351 8.084 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.091 9.760 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.260 10.132 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.765 8.694 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.949 9.700 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.440 11.138 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.308 10.075 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.695 11.446 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 27 2.247 11.748 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.045 12.638 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.243 13.594 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.008 12.706 -2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.222 13.632 -3.175 1.00 0.00 H new ATOM 404 N ARG A 28 -0.230 6.819 -5.122 1.00 0.00 N ATOM 405 CA ARG A 28 -0.503 5.916 -6.238 1.00 0.00 C ATOM 406 C ARG A 28 -2.000 5.622 -6.362 1.00 0.00 C ATOM 407 O ARG A 28 -2.543 5.557 -7.466 1.00 0.00 O ATOM 408 CB ARG A 28 0.276 4.612 -6.064 1.00 0.00 C ATOM 409 CG ARG A 28 1.776 4.900 -6.195 1.00 0.00 C ATOM 410 CD ARG A 28 2.551 3.588 -6.274 1.00 0.00 C ATOM 411 NE ARG A 28 2.353 2.977 -7.590 1.00 0.00 N ATOM 412 CZ ARG A 28 3.378 2.642 -8.370 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.068 3.569 -8.975 1.00 0.00 N ATOM 414 NH2 ARG A 28 3.693 1.386 -8.531 1.00 0.00 N ATOM 0 H ARG A 28 0.342 6.421 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.179 6.408 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.061 4.173 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.034 3.886 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.964 5.498 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.119 5.484 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.612 3.770 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.214 2.908 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 28 1.403 2.803 -7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.822 4.551 -8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.854 3.312 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.154 0.660 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.479 1.130 -9.129 1.00 0.00 H new ATOM 428 N ILE A 29 -2.657 5.445 -5.217 1.00 0.00 N ATOM 429 CA ILE A 29 -4.091 5.156 -5.196 1.00 0.00 C ATOM 430 C ILE A 29 -4.910 6.320 -5.753 1.00 0.00 C ATOM 431 O ILE A 29 -5.805 6.127 -6.575 1.00 0.00 O ATOM 432 CB ILE A 29 -4.540 4.827 -3.757 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.971 3.456 -3.317 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.072 4.806 -3.663 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.472 2.309 -4.217 1.00 0.00 C ATOM 0 H ILE A 29 -2.222 5.496 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.268 4.293 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.156 5.602 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.882 3.489 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.258 3.259 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.371 4.572 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.467 5.783 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.468 4.048 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.049 1.365 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.560 2.258 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.162 2.492 -5.246 1.00 0.00 H new ATOM 447 N GLN A 30 -4.586 7.522 -5.306 1.00 0.00 N ATOM 448 CA GLN A 30 -5.282 8.718 -5.766 1.00 0.00 C ATOM 449 C GLN A 30 -5.135 8.893 -7.271 1.00 0.00 C ATOM 450 O GLN A 30 -6.114 9.212 -7.945 1.00 0.00 O ATOM 451 CB GLN A 30 -4.747 9.952 -5.032 1.00 0.00 C ATOM 452 CG GLN A 30 -5.472 11.215 -5.513 1.00 0.00 C ATOM 453 CD GLN A 30 -5.090 12.397 -4.628 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.481 12.213 -3.573 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.408 13.606 -4.998 1.00 0.00 N ATOM 0 H GLN A 30 -3.847 7.698 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.343 8.603 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.885 9.832 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.676 10.051 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.208 11.425 -6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.551 11.060 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.912 13.756 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.153 14.402 -4.414 1.00 0.00 H new ATOM 464 N TYR A 31 -3.939 8.684 -7.818 1.00 0.00 N ATOM 465 CA TYR A 31 -3.750 8.829 -9.253 1.00 0.00 C ATOM 466 C TYR A 31 -4.562 7.765 -9.998 1.00 0.00 C ATOM 467 O TYR A 31 -5.150 8.045 -11.043 1.00 0.00 O ATOM 468 CB TYR A 31 -2.258 8.717 -9.612 1.00 0.00 C ATOM 469 CG TYR A 31 -1.590 10.069 -9.465 1.00 0.00 C ATOM 470 CD1 TYR A 31 -1.614 10.728 -8.231 1.00 0.00 C ATOM 471 CD2 TYR A 31 -0.950 10.662 -10.562 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.001 11.978 -8.092 1.00 0.00 C ATOM 473 CE2 TYR A 31 -0.337 11.911 -10.422 1.00 0.00 C ATOM 474 CZ TYR A 31 -0.362 12.569 -9.188 1.00 0.00 C ATOM 475 OH TYR A 31 0.242 13.802 -9.050 1.00 0.00 O ATOM 0 H TYR A 31 -3.103 8.419 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.102 9.815 -9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.772 7.989 -8.962 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.147 8.356 -10.634 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.106 10.271 -7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.930 10.154 -11.515 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.021 12.487 -7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.156 12.368 -11.267 1.00 0.00 H new ATOM 0 HH TYR A 31 0.640 14.069 -9.905 1.00 0.00 H new ATOM 485 N ALA A 32 -4.585 6.551 -9.466 1.00 0.00 N ATOM 486 CA ALA A 32 -5.320 5.458 -10.099 1.00 0.00 C ATOM 487 C ALA A 32 -6.830 5.648 -9.984 1.00 0.00 C ATOM 488 O ALA A 32 -7.585 5.298 -10.891 1.00 0.00 O ATOM 489 CB ALA A 32 -4.924 4.136 -9.440 1.00 0.00 C ATOM 0 H ALA A 32 -4.107 6.296 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.064 5.449 -11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.470 3.318 -9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.853 3.975 -9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.166 4.172 -8.378 1.00 0.00 H new ATOM 495 N PHE A 33 -7.260 6.186 -8.843 1.00 0.00 N ATOM 496 CA PHE A 33 -8.685 6.408 -8.575 1.00 0.00 C ATOM 497 C PHE A 33 -8.970 7.894 -8.346 1.00 0.00 C ATOM 498 O PHE A 33 -8.939 8.365 -7.209 1.00 0.00 O ATOM 499 CB PHE A 33 -9.078 5.620 -7.328 1.00 0.00 C ATOM 500 CG PHE A 33 -8.971 4.142 -7.622 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.023 3.479 -8.264 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.817 3.436 -7.261 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.923 2.110 -8.544 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.716 2.068 -7.540 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.770 1.404 -8.183 1.00 0.00 C ATOM 0 H PHE A 33 -6.642 6.478 -8.086 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.265 6.075 -9.436 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.427 5.886 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.096 5.871 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.913 4.023 -8.544 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.004 3.947 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.736 1.599 -9.039 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.826 1.524 -7.260 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.692 0.349 -8.399 1.00 0.00 H new ATOM 515 N PRO A 34 -9.233 8.642 -9.393 1.00 0.00 N ATOM 516 CA PRO A 34 -9.512 10.102 -9.277 1.00 0.00 C ATOM 517 C PRO A 34 -10.898 10.419 -8.709 1.00 0.00 C ATOM 518 O PRO A 34 -11.115 11.475 -8.114 1.00 0.00 O ATOM 519 CB PRO A 34 -9.395 10.633 -10.735 1.00 0.00 C ATOM 520 CG PRO A 34 -9.047 9.456 -11.608 1.00 0.00 C ATOM 521 CD PRO A 34 -9.293 8.187 -10.789 1.00 0.00 C ATOM 0 HA PRO A 34 -8.816 10.569 -8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.333 11.087 -11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.628 11.404 -10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.658 9.454 -12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.006 9.510 -11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.261 7.744 -11.022 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.538 7.428 -10.993 1.00 0.00 H new ATOM 529 N ASP A 35 -11.841 9.512 -8.960 1.00 0.00 N ATOM 530 CA ASP A 35 -13.232 9.711 -8.538 1.00 0.00 C ATOM 531 C ASP A 35 -13.568 9.068 -7.188 1.00 0.00 C ATOM 532 O ASP A 35 -14.689 9.250 -6.711 1.00 0.00 O ATOM 533 CB ASP A 35 -14.169 9.130 -9.600 1.00 0.00 C ATOM 534 CG ASP A 35 -13.932 7.631 -9.751 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.212 7.080 -8.936 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.481 7.056 -10.677 1.00 0.00 O ATOM 0 H ASP A 35 -11.671 8.634 -9.451 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.366 10.786 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.206 9.315 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.002 9.630 -10.554 1.00 0.00 H new ATOM 541 N ASN A 36 -12.658 8.296 -6.573 1.00 0.00 N ATOM 542 CA ASN A 36 -12.990 7.634 -5.289 1.00 0.00 C ATOM 543 C ASN A 36 -11.975 7.940 -4.196 1.00 0.00 C ATOM 544 O ASN A 36 -10.776 7.767 -4.413 1.00 0.00 O ATOM 545 CB ASN A 36 -12.996 6.119 -5.507 1.00 0.00 C ATOM 546 CG ASN A 36 -13.966 5.754 -6.626 1.00 0.00 C ATOM 547 OD1 ASN A 36 -13.605 5.020 -7.545 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.180 6.231 -6.607 1.00 0.00 N ATOM 0 H ASN A 36 -11.717 8.115 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.962 8.009 -4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.992 5.776 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.284 5.612 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.832 5.996 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.477 6.839 -5.844 1.00 0.00 H new ATOM 555 N GLU A 37 -12.419 8.360 -3.021 1.00 0.00 N ATOM 556 CA GLU A 37 -11.500 8.636 -1.926 1.00 0.00 C ATOM 557 C GLU A 37 -10.772 7.363 -1.496 1.00 0.00 C ATOM 558 O GLU A 37 -11.402 6.375 -1.120 1.00 0.00 O ATOM 559 CB GLU A 37 -12.351 9.069 -0.717 1.00 0.00 C ATOM 560 CG GLU A 37 -13.209 10.309 -1.042 1.00 0.00 C ATOM 561 CD GLU A 37 -14.030 10.696 0.183 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.208 9.850 1.045 1.00 0.00 O ATOM 563 OE2 GLU A 37 -14.473 11.831 0.241 1.00 0.00 O ATOM 0 H GLU A 37 -13.403 8.516 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.781 9.390 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.999 8.247 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.699 9.289 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.569 11.139 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.869 10.097 -1.883 1.00 0.00 H new ATOM 570 N GLY A 38 -9.446 7.404 -1.513 1.00 0.00 N ATOM 571 CA GLY A 38 -8.661 6.244 -1.070 1.00 0.00 C ATOM 572 C GLY A 38 -7.959 6.501 0.255 1.00 0.00 C ATOM 573 O GLY A 38 -7.171 7.446 0.338 1.00 0.00 O ATOM 0 H GLY A 38 -8.895 8.206 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.317 5.379 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.920 5.996 -1.830 1.00 0.00 H new ATOM 577 N HIS A 39 -8.189 5.677 1.288 1.00 0.00 N ATOM 578 CA HIS A 39 -7.501 5.878 2.573 1.00 0.00 C ATOM 579 C HIS A 39 -6.609 4.677 2.833 1.00 0.00 C ATOM 580 O HIS A 39 -7.082 3.541 2.801 1.00 0.00 O ATOM 581 CB HIS A 39 -8.515 6.003 3.710 1.00 0.00 C ATOM 582 CG HIS A 39 -7.772 6.186 5.005 1.00 0.00 C ATOM 583 ND1 HIS A 39 -6.892 7.238 5.209 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.754 5.453 6.166 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.384 7.109 6.448 1.00 0.00 C ATOM 586 NE2 HIS A 39 -6.877 6.038 7.075 1.00 0.00 N ATOM 0 H HIS A 39 -8.830 4.884 1.263 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.912 6.794 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.178 6.850 3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.141 5.112 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.332 4.559 6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.666 7.788 6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.658 5.717 8.018 1.00 0.00 H new ATOM 594 N VAL A 40 -5.320 4.909 3.055 1.00 0.00 N ATOM 595 CA VAL A 40 -4.384 3.815 3.273 1.00 0.00 C ATOM 596 C VAL A 40 -3.829 3.834 4.689 1.00 0.00 C ATOM 597 O VAL A 40 -3.323 4.856 5.154 1.00 0.00 O ATOM 598 CB VAL A 40 -3.241 3.958 2.275 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.336 2.733 2.368 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.816 4.071 0.857 1.00 0.00 C ATOM 0 H VAL A 40 -4.902 5.839 3.088 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.905 2.868 3.133 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.663 4.854 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.517 2.831 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.932 2.655 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.912 1.837 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.001 4.173 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.392 3.175 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.464 4.945 0.796 1.00 0.00 H new ATOM 610 N SER A 41 -3.898 2.683 5.353 1.00 0.00 N ATOM 611 CA SER A 41 -3.364 2.550 6.713 1.00 0.00 C ATOM 612 C SER A 41 -2.357 1.413 6.751 1.00 0.00 C ATOM 613 O SER A 41 -2.569 0.364 6.144 1.00 0.00 O ATOM 614 CB SER A 41 -4.486 2.310 7.724 1.00 0.00 C ATOM 615 OG SER A 41 -3.919 2.054 9.002 1.00 0.00 O ATOM 0 H SER A 41 -4.315 1.831 4.977 1.00 0.00 H new ATOM 0 HA SER A 41 -2.867 3.480 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.141 3.180 7.771 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.100 1.466 7.410 1.00 0.00 H new ATOM 0 HG SER A 41 -4.635 1.901 9.653 1.00 0.00 H new ATOM 621 N VAL A 42 -1.266 1.626 7.481 1.00 0.00 N ATOM 622 CA VAL A 42 -0.228 0.601 7.607 1.00 0.00 C ATOM 623 C VAL A 42 0.116 0.395 9.077 1.00 0.00 C ATOM 624 O VAL A 42 0.373 1.353 9.804 1.00 0.00 O ATOM 625 CB VAL A 42 1.016 1.006 6.816 1.00 0.00 C ATOM 626 CG1 VAL A 42 1.996 -0.164 6.772 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.615 1.394 5.390 1.00 0.00 C ATOM 0 H VAL A 42 -1.076 2.489 7.991 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.602 -0.338 7.198 1.00 0.00 H new ATOM 0 HB VAL A 42 1.491 1.858 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.883 0.125 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.284 -0.435 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.521 -1.018 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.503 1.682 4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.137 0.544 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.081 2.232 5.423 1.00 0.00 H new ATOM 637 N ARG A 43 0.106 -0.869 9.513 1.00 0.00 N ATOM 638 CA ARG A 43 0.407 -1.191 10.909 1.00 0.00 C ATOM 639 C ARG A 43 1.037 -2.576 11.025 1.00 0.00 C ATOM 640 O ARG A 43 0.898 -3.404 10.125 1.00 0.00 O ATOM 641 CB ARG A 43 -0.874 -1.139 11.743 1.00 0.00 C ATOM 642 CG ARG A 43 -1.856 -2.197 11.239 1.00 0.00 C ATOM 643 CD ARG A 43 -3.218 -1.982 11.900 1.00 0.00 C ATOM 644 NE ARG A 43 -4.205 -2.894 11.328 1.00 0.00 N ATOM 645 CZ ARG A 43 -5.280 -3.268 12.014 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.160 -3.659 13.253 1.00 0.00 N ATOM 647 NH2 ARG A 43 -6.456 -3.244 11.449 1.00 0.00 N ATOM 0 H ARG A 43 -0.105 -1.676 8.926 1.00 0.00 H new ATOM 0 HA ARG A 43 1.118 -0.454 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.643 -1.313 12.794 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.324 -0.149 11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.951 -2.133 10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.482 -3.195 11.468 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.139 -2.147 12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.540 -0.950 11.759 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.066 -3.251 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.241 -3.678 13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.985 -3.946 13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.550 -2.938 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.281 -3.531 11.976 1.00 0.00 H new ATOM 661 N TYR A 44 1.710 -2.836 12.145 1.00 0.00 N ATOM 662 CA TYR A 44 2.327 -4.144 12.359 1.00 0.00 C ATOM 663 C TYR A 44 1.292 -5.119 12.908 1.00 0.00 C ATOM 664 O TYR A 44 0.465 -4.760 13.743 1.00 0.00 O ATOM 665 CB TYR A 44 3.496 -4.076 13.338 1.00 0.00 C ATOM 666 CG TYR A 44 4.598 -3.214 12.787 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.593 -3.795 12.000 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.627 -1.844 13.060 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.628 -3.009 11.486 1.00 0.00 C ATOM 670 CE2 TYR A 44 5.664 -1.053 12.552 1.00 0.00 C ATOM 671 CZ TYR A 44 6.667 -1.637 11.765 1.00 0.00 C ATOM 672 OH TYR A 44 7.696 -0.861 11.269 1.00 0.00 O ATOM 0 H TYR A 44 1.841 -2.170 12.907 1.00 0.00 H new ATOM 0 HA TYR A 44 2.705 -4.482 11.394 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.155 -3.674 14.292 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.874 -5.080 13.531 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.563 -4.854 11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.850 -1.396 13.662 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.396 -3.459 10.875 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.692 0.005 12.766 1.00 0.00 H new ATOM 0 HH TYR A 44 7.572 0.068 11.554 1.00 0.00 H new ATOM 682 N ALA A 45 1.354 -6.363 12.429 1.00 0.00 N ATOM 683 CA ALA A 45 0.434 -7.411 12.862 1.00 0.00 C ATOM 684 C ALA A 45 1.193 -8.731 12.967 1.00 0.00 C ATOM 685 O ALA A 45 2.324 -8.836 12.493 1.00 0.00 O ATOM 686 CB ALA A 45 -0.712 -7.552 11.860 1.00 0.00 C ATOM 0 H ALA A 45 2.038 -6.668 11.736 1.00 0.00 H new ATOM 0 HA ALA A 45 0.018 -7.147 13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.392 -8.336 12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.253 -6.608 11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.309 -7.812 10.881 1.00 0.00 H new ATOM 692 N ALA A 46 0.586 -9.735 13.589 1.00 0.00 N ATOM 693 CA ALA A 46 1.260 -11.020 13.730 1.00 0.00 C ATOM 694 C ALA A 46 1.586 -11.592 12.352 1.00 0.00 C ATOM 695 O ALA A 46 2.525 -12.377 12.218 1.00 0.00 O ATOM 696 CB ALA A 46 0.412 -12.004 14.537 1.00 0.00 C ATOM 0 H ALA A 46 -0.349 -9.688 13.995 1.00 0.00 H new ATOM 0 HA ALA A 46 2.190 -10.862 14.276 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.941 -12.953 14.625 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.229 -11.597 15.531 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.540 -12.165 14.030 1.00 0.00 H new ATOM 702 N ALA A 47 0.801 -11.232 11.330 1.00 0.00 N ATOM 703 CA ALA A 47 1.034 -11.767 9.981 1.00 0.00 C ATOM 704 C ALA A 47 0.842 -10.711 8.891 1.00 0.00 C ATOM 705 O ALA A 47 0.030 -9.798 9.036 1.00 0.00 O ATOM 706 CB ALA A 47 0.087 -12.942 9.723 1.00 0.00 C ATOM 0 H ALA A 47 0.015 -10.587 11.406 1.00 0.00 H new ATOM 0 HA ALA A 47 2.072 -12.097 9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.262 -13.337 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.270 -13.725 10.459 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.945 -12.602 9.804 1.00 0.00 H new ATOM 712 N ASN A 48 1.552 -10.879 7.777 1.00 0.00 N ATOM 713 CA ASN A 48 1.406 -9.970 6.643 1.00 0.00 C ATOM 714 C ASN A 48 0.033 -10.214 6.025 1.00 0.00 C ATOM 715 O ASN A 48 -0.304 -11.352 5.700 1.00 0.00 O ATOM 716 CB ASN A 48 2.489 -10.254 5.600 1.00 0.00 C ATOM 717 CG ASN A 48 2.492 -9.155 4.542 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.517 -7.971 4.878 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.462 -9.478 3.278 1.00 0.00 N ATOM 0 H ASN A 48 2.228 -11.629 7.636 1.00 0.00 H new ATOM 0 HA ASN A 48 1.505 -8.936 6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.465 -10.309 6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.310 -11.222 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.459 -8.748 2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.441 -10.460 3.003 1.00 0.00 H new ATOM 726 N ASN A 49 -0.762 -9.158 5.852 1.00 0.00 N ATOM 727 CA ASN A 49 -2.093 -9.300 5.259 1.00 0.00 C ATOM 728 C ASN A 49 -2.496 -8.026 4.522 1.00 0.00 C ATOM 729 O ASN A 49 -2.113 -6.924 4.912 1.00 0.00 O ATOM 730 CB ASN A 49 -3.128 -9.597 6.349 1.00 0.00 C ATOM 731 CG ASN A 49 -2.785 -10.902 7.058 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.553 -11.976 6.352 1.00 0.00 O flip ATOM 733 ND2 ASN A 49 -2.740 -10.950 8.287 1.00 0.00 N flip ATOM 0 H ASN A 49 -0.512 -8.204 6.111 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.059 -10.127 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.154 -8.779 7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.122 -9.665 5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.921 -10.110 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.521 -11.829 8.755 1.00 0.00 H new ATOM 740 N LEU A 50 -3.301 -8.185 3.469 1.00 0.00 N ATOM 741 CA LEU A 50 -3.800 -7.054 2.684 1.00 0.00 C ATOM 742 C LEU A 50 -5.320 -7.177 2.642 1.00 0.00 C ATOM 743 O LEU A 50 -5.842 -8.188 2.171 1.00 0.00 O ATOM 744 CB LEU A 50 -3.234 -7.121 1.256 1.00 0.00 C ATOM 745 CG LEU A 50 -3.618 -5.854 0.454 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.618 -4.722 0.734 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.618 -6.165 -1.056 1.00 0.00 C ATOM 0 H LEU A 50 -3.623 -9.094 3.138 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.496 -6.106 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.149 -7.218 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.616 -8.007 0.750 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.615 -5.540 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.901 -3.837 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.625 -4.485 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.618 -5.039 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.889 -5.268 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.624 -6.494 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.341 -6.954 -1.265 1.00 0.00 H new ATOM 759 N SER A 51 -6.037 -6.158 3.118 1.00 0.00 N ATOM 760 CA SER A 51 -7.505 -6.185 3.106 1.00 0.00 C ATOM 761 C SER A 51 -8.045 -4.981 2.338 1.00 0.00 C ATOM 762 O SER A 51 -7.662 -3.844 2.615 1.00 0.00 O ATOM 763 CB SER A 51 -8.021 -6.130 4.545 1.00 0.00 C ATOM 764 OG SER A 51 -9.437 -6.012 4.532 1.00 0.00 O ATOM 0 H SER A 51 -5.632 -5.310 3.514 1.00 0.00 H new ATOM 0 HA SER A 51 -7.841 -7.102 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.725 -7.030 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.579 -5.283 5.070 1.00 0.00 H new ATOM 0 HG SER A 51 -9.771 -5.978 5.453 1.00 0.00 H new ATOM 770 N VAL A 52 -8.960 -5.224 1.394 1.00 0.00 N ATOM 771 CA VAL A 52 -9.571 -4.141 0.618 1.00 0.00 C ATOM 772 C VAL A 52 -11.088 -4.216 0.766 1.00 0.00 C ATOM 773 O VAL A 52 -11.683 -5.264 0.516 1.00 0.00 O ATOM 774 CB VAL A 52 -9.190 -4.260 -0.858 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.840 -3.119 -1.644 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.670 -4.175 -0.999 1.00 0.00 C ATOM 0 H VAL A 52 -9.292 -6.157 1.150 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.208 -3.184 0.993 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.538 -5.216 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.570 -3.202 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.924 -3.178 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.490 -2.163 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.397 -4.260 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.321 -3.219 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.207 -4.986 -0.437 1.00 0.00 H new ATOM 786 N ILE A 53 -11.713 -3.109 1.170 1.00 0.00 N ATOM 787 CA ILE A 53 -13.171 -3.073 1.342 1.00 0.00 C ATOM 788 C ILE A 53 -13.802 -2.009 0.444 1.00 0.00 C ATOM 789 O ILE A 53 -13.376 -0.853 0.447 1.00 0.00 O ATOM 790 CB ILE A 53 -13.514 -2.757 2.800 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.899 -3.815 3.724 1.00 0.00 C ATOM 792 CG2 ILE A 53 -15.035 -2.757 2.970 1.00 0.00 C ATOM 793 CD1 ILE A 53 -13.023 -3.356 5.179 1.00 0.00 C ATOM 0 H ILE A 53 -11.240 -2.231 1.383 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.567 -4.050 1.066 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.111 -1.778 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.406 -4.770 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.851 -3.971 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.285 -2.532 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.474 -2.001 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.431 -3.738 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.586 -4.108 5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.496 -2.411 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.075 -3.222 5.430 1.00 0.00 H new ATOM 805 N GLY A 54 -14.838 -2.395 -0.306 1.00 0.00 N ATOM 806 CA GLY A 54 -15.537 -1.451 -1.181 1.00 0.00 C ATOM 807 C GLY A 54 -14.977 -1.453 -2.602 1.00 0.00 C ATOM 808 O GLY A 54 -15.205 -0.501 -3.351 1.00 0.00 O ATOM 0 H GLY A 54 -15.208 -3.345 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.597 -1.703 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.460 -0.447 -0.764 1.00 0.00 H new ATOM 812 N ALA A 55 -14.225 -2.496 -2.974 1.00 0.00 N ATOM 813 CA ALA A 55 -13.622 -2.559 -4.317 1.00 0.00 C ATOM 814 C ALA A 55 -14.017 -3.835 -5.064 1.00 0.00 C ATOM 815 O ALA A 55 -14.427 -4.832 -4.472 1.00 0.00 O ATOM 816 CB ALA A 55 -12.093 -2.476 -4.194 1.00 0.00 C ATOM 0 H ALA A 55 -14.020 -3.297 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.998 -1.714 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.645 -2.522 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.817 -1.537 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.731 -3.310 -3.593 1.00 0.00 H new ATOM 822 N THR A 56 -13.827 -3.776 -6.383 1.00 0.00 N ATOM 823 CA THR A 56 -14.081 -4.882 -7.300 1.00 0.00 C ATOM 824 C THR A 56 -12.817 -5.690 -7.518 1.00 0.00 C ATOM 825 O THR A 56 -11.707 -5.242 -7.230 1.00 0.00 O ATOM 826 CB THR A 56 -14.496 -4.334 -8.664 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.535 -3.386 -9.108 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.870 -3.671 -8.560 1.00 0.00 C ATOM 0 H THR A 56 -13.484 -2.937 -6.852 1.00 0.00 H new ATOM 0 HA THR A 56 -14.864 -5.503 -6.866 1.00 0.00 H new ATOM 0 HB THR A 56 -14.551 -5.154 -9.380 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.747 -2.505 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.161 -3.282 -9.536 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.604 -4.405 -8.228 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.826 -2.852 -7.842 1.00 0.00 H new ATOM 836 N LYS A 57 -13.017 -6.908 -8.003 1.00 0.00 N ATOM 837 CA LYS A 57 -11.923 -7.833 -8.243 1.00 0.00 C ATOM 838 C LYS A 57 -10.862 -7.259 -9.181 1.00 0.00 C ATOM 839 O LYS A 57 -9.670 -7.447 -8.943 1.00 0.00 O ATOM 840 CB LYS A 57 -12.477 -9.127 -8.833 1.00 0.00 C ATOM 841 CG LYS A 57 -13.073 -8.855 -10.219 1.00 0.00 C ATOM 842 CD LYS A 57 -13.822 -10.100 -10.701 1.00 0.00 C ATOM 843 CE LYS A 57 -14.240 -9.922 -12.163 1.00 0.00 C ATOM 844 NZ LYS A 57 -13.028 -9.858 -13.030 1.00 0.00 N ATOM 0 H LYS A 57 -13.937 -7.279 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.439 -8.022 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.684 -9.871 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.241 -9.540 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.751 -8.003 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.282 -8.597 -10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.186 -10.980 -10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.702 -10.269 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.877 -10.751 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.827 -9.010 -12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.025 -8.961 -13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.175 -9.915 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.038 -10.653 -13.700 1.00 0.00 H new ATOM 858 N GLU A 58 -11.266 -6.553 -10.233 1.00 0.00 N ATOM 859 CA GLU A 58 -10.287 -5.972 -11.152 1.00 0.00 C ATOM 860 C GLU A 58 -9.498 -4.862 -10.473 1.00 0.00 C ATOM 861 O GLU A 58 -8.293 -4.728 -10.688 1.00 0.00 O ATOM 862 CB GLU A 58 -10.982 -5.419 -12.407 1.00 0.00 C ATOM 863 CG GLU A 58 -11.390 -6.566 -13.340 1.00 0.00 C ATOM 864 CD GLU A 58 -12.079 -5.998 -14.577 1.00 0.00 C ATOM 865 OE1 GLU A 58 -12.398 -4.819 -14.563 1.00 0.00 O ATOM 866 OE2 GLU A 58 -12.275 -6.746 -15.519 1.00 0.00 O ATOM 0 H GLU A 58 -12.241 -6.371 -10.469 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.598 -6.763 -11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.863 -4.844 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.313 -4.736 -12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.511 -7.141 -13.632 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.060 -7.251 -12.820 1.00 0.00 H new ATOM 873 N ASP A 59 -10.176 -4.074 -9.631 1.00 0.00 N ATOM 874 CA ASP A 59 -9.505 -2.997 -8.918 1.00 0.00 C ATOM 875 C ASP A 59 -8.466 -3.597 -7.983 1.00 0.00 C ATOM 876 O ASP A 59 -7.343 -3.106 -7.875 1.00 0.00 O ATOM 877 CB ASP A 59 -10.516 -2.174 -8.117 1.00 0.00 C ATOM 878 CG ASP A 59 -11.398 -1.371 -9.066 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.985 -1.167 -10.196 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.475 -0.975 -8.651 1.00 0.00 O ATOM 0 H ASP A 59 -11.173 -4.164 -9.433 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.019 -2.336 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.131 -2.833 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.993 -1.502 -7.436 1.00 0.00 H new ATOM 885 N LYS A 60 -8.869 -4.665 -7.307 1.00 0.00 N ATOM 886 CA LYS A 60 -7.983 -5.341 -6.369 1.00 0.00 C ATOM 887 C LYS A 60 -6.763 -5.935 -7.071 1.00 0.00 C ATOM 888 O LYS A 60 -5.652 -5.823 -6.555 1.00 0.00 O ATOM 889 CB LYS A 60 -8.738 -6.419 -5.587 1.00 0.00 C ATOM 890 CG LYS A 60 -7.823 -7.023 -4.518 1.00 0.00 C ATOM 891 CD LYS A 60 -8.584 -8.099 -3.741 1.00 0.00 C ATOM 892 CE LYS A 60 -7.666 -8.697 -2.673 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.463 -9.559 -1.754 1.00 0.00 N ATOM 0 H LYS A 60 -9.797 -5.080 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.622 -4.592 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.624 -5.989 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.083 -7.199 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.937 -7.455 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.478 -6.244 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.471 -7.669 -3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.928 -8.879 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.877 -9.283 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.179 -7.901 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.838 -9.965 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.201 -8.988 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.907 -10.327 -2.297 1.00 0.00 H new ATOM 907 N GLN A 61 -6.930 -6.533 -8.249 1.00 0.00 N ATOM 908 CA GLN A 61 -5.773 -7.072 -8.955 1.00 0.00 C ATOM 909 C GLN A 61 -4.842 -5.918 -9.296 1.00 0.00 C ATOM 910 O GLN A 61 -3.627 -6.029 -9.142 1.00 0.00 O ATOM 911 CB GLN A 61 -6.214 -7.790 -10.235 1.00 0.00 C ATOM 912 CG GLN A 61 -5.016 -8.497 -10.867 1.00 0.00 C ATOM 913 CD GLN A 61 -5.449 -9.214 -12.142 1.00 0.00 C ATOM 914 OE1 GLN A 61 -6.379 -8.774 -12.817 1.00 0.00 O ATOM 915 NE2 GLN A 61 -4.825 -10.299 -12.513 1.00 0.00 N ATOM 0 H GLN A 61 -7.826 -6.654 -8.722 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.258 -7.796 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.997 -8.513 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.638 -7.073 -10.938 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.234 -7.773 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.592 -9.213 -10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.054 -10.661 -11.952 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.108 -10.784 -13.364 1.00 0.00 H new ATOM 924 N ARG A 62 -5.414 -4.807 -9.772 1.00 0.00 N ATOM 925 CA ARG A 62 -4.602 -3.657 -10.136 1.00 0.00 C ATOM 926 C ARG A 62 -3.824 -3.164 -8.916 1.00 0.00 C ATOM 927 O ARG A 62 -2.629 -2.887 -9.004 1.00 0.00 O ATOM 928 CB ARG A 62 -5.475 -2.542 -10.723 1.00 0.00 C ATOM 929 CG ARG A 62 -4.608 -1.338 -11.105 1.00 0.00 C ATOM 930 CD ARG A 62 -5.491 -0.237 -11.688 1.00 0.00 C ATOM 931 NE ARG A 62 -4.672 0.905 -12.074 1.00 0.00 N ATOM 932 CZ ARG A 62 -4.008 0.915 -13.226 1.00 0.00 C ATOM 933 NH1 ARG A 62 -4.606 1.308 -14.317 1.00 0.00 N ATOM 934 NH2 ARG A 62 -2.760 0.531 -13.266 1.00 0.00 N ATOM 0 H ARG A 62 -6.417 -4.686 -9.910 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.888 -3.956 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.006 -2.910 -11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.230 -2.240 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.077 -0.967 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.853 -1.636 -11.832 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.034 -0.615 -12.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.236 0.070 -10.954 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.607 1.710 -11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.581 1.607 -14.285 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.099 1.317 -15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.294 0.223 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.252 0.539 -14.150 1.00 0.00 H new ATOM 948 N ILE A 63 -4.507 -3.053 -7.782 1.00 0.00 N ATOM 949 CA ILE A 63 -3.847 -2.586 -6.563 1.00 0.00 C ATOM 950 C ILE A 63 -2.699 -3.517 -6.180 1.00 0.00 C ATOM 951 O ILE A 63 -1.612 -3.050 -5.836 1.00 0.00 O ATOM 952 CB ILE A 63 -4.842 -2.435 -5.411 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.804 -1.277 -5.703 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.090 -2.146 -4.107 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.014 -1.372 -4.770 1.00 0.00 C ATOM 0 H ILE A 63 -5.497 -3.274 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.431 -1.599 -6.766 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.406 -3.362 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.296 -0.323 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.129 -1.313 -6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.805 -2.040 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.410 -2.970 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.520 -1.223 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.698 -0.549 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.526 -2.320 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.680 -1.314 -3.734 1.00 0.00 H new ATOM 967 N SER A 64 -2.916 -4.821 -6.271 1.00 0.00 N ATOM 968 CA SER A 64 -1.844 -5.758 -5.959 1.00 0.00 C ATOM 969 C SER A 64 -0.693 -5.473 -6.916 1.00 0.00 C ATOM 970 O SER A 64 0.462 -5.442 -6.491 1.00 0.00 O ATOM 971 CB SER A 64 -2.333 -7.196 -6.139 1.00 0.00 C ATOM 972 OG SER A 64 -1.277 -8.094 -5.829 1.00 0.00 O ATOM 0 H SER A 64 -3.799 -5.247 -6.550 1.00 0.00 H new ATOM 0 HA SER A 64 -1.521 -5.639 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.188 -7.385 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.669 -7.352 -7.164 1.00 0.00 H new ATOM 0 HG SER A 64 -1.588 -9.016 -5.942 1.00 0.00 H new ATOM 978 N GLU A 65 -0.980 -5.259 -8.213 1.00 0.00 N ATOM 979 CA GLU A 65 0.086 -4.976 -9.169 1.00 0.00 C ATOM 980 C GLU A 65 0.829 -3.704 -8.758 1.00 0.00 C ATOM 981 O GLU A 65 2.057 -3.653 -8.802 1.00 0.00 O ATOM 982 CB GLU A 65 -0.466 -4.839 -10.588 1.00 0.00 C ATOM 983 CG GLU A 65 -0.931 -6.208 -11.087 1.00 0.00 C ATOM 984 CD GLU A 65 0.268 -7.128 -11.297 1.00 0.00 C ATOM 985 OE1 GLU A 65 0.643 -7.804 -10.353 1.00 0.00 O ATOM 986 OE2 GLU A 65 0.791 -7.146 -12.399 1.00 0.00 O ATOM 0 H GLU A 65 -1.920 -5.277 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 65 0.783 -5.814 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.297 -4.134 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.301 -4.439 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.617 -6.652 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.480 -6.095 -12.022 1.00 0.00 H new ATOM 993 N ILE A 66 0.080 -2.688 -8.347 1.00 0.00 N ATOM 994 CA ILE A 66 0.685 -1.429 -7.918 1.00 0.00 C ATOM 995 C ILE A 66 1.613 -1.659 -6.735 1.00 0.00 C ATOM 996 O ILE A 66 2.734 -1.153 -6.704 1.00 0.00 O ATOM 997 CB ILE A 66 -0.429 -0.433 -7.539 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.098 0.079 -8.822 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.152 0.749 -6.746 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.376 0.847 -8.472 1.00 0.00 C ATOM 0 H ILE A 66 -0.939 -2.708 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 66 1.275 -1.018 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.164 -0.938 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.412 0.727 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.335 -0.758 -9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.649 1.442 -6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.622 0.380 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.896 1.265 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.846 1.208 -9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.065 0.186 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.128 1.695 -7.833 1.00 0.00 H new ATOM 1012 N LEU A 67 1.138 -2.424 -5.769 1.00 0.00 N ATOM 1013 CA LEU A 67 1.935 -2.708 -4.602 1.00 0.00 C ATOM 1014 C LEU A 67 3.210 -3.411 -5.031 1.00 0.00 C ATOM 1015 O LEU A 67 4.298 -3.084 -4.554 1.00 0.00 O ATOM 1016 CB LEU A 67 1.136 -3.588 -3.623 1.00 0.00 C ATOM 1017 CG LEU A 67 2.034 -4.166 -2.508 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.519 -3.054 -1.564 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.218 -5.186 -1.708 1.00 0.00 C ATOM 0 H LEU A 67 0.213 -2.854 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 67 2.192 -1.778 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.335 -2.999 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.665 -4.405 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 67 2.906 -4.638 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.150 -3.486 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.092 -2.320 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.659 -2.566 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.837 -5.605 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.350 -4.694 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.886 -5.986 -2.370 1.00 0.00 H new ATOM 1031 N GLN A 68 3.083 -4.354 -5.946 1.00 0.00 N ATOM 1032 CA GLN A 68 4.251 -5.055 -6.436 1.00 0.00 C ATOM 1033 C GLN A 68 5.227 -4.068 -7.080 1.00 0.00 C ATOM 1034 O GLN A 68 6.416 -4.077 -6.758 1.00 0.00 O ATOM 1035 CB GLN A 68 3.842 -6.130 -7.449 1.00 0.00 C ATOM 1036 CG GLN A 68 5.085 -6.876 -7.947 1.00 0.00 C ATOM 1037 CD GLN A 68 4.673 -7.989 -8.903 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.687 -7.854 -9.627 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.371 -9.091 -8.946 1.00 0.00 N ATOM 0 H GLN A 68 2.197 -4.648 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 68 4.745 -5.540 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.147 -6.831 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.321 -5.671 -8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.759 -6.183 -8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.632 -7.294 -7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.188 -9.201 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.100 -9.842 -9.580 1.00 0.00 H new ATOM 1048 N GLU A 69 4.747 -3.234 -8.005 1.00 0.00 N ATOM 1049 CA GLU A 69 5.632 -2.284 -8.679 1.00 0.00 C ATOM 1050 C GLU A 69 6.281 -1.280 -7.727 1.00 0.00 C ATOM 1051 O GLU A 69 7.479 -1.014 -7.831 1.00 0.00 O ATOM 1052 CB GLU A 69 4.866 -1.525 -9.767 1.00 0.00 C ATOM 1053 CG GLU A 69 4.536 -2.475 -10.920 1.00 0.00 C ATOM 1054 CD GLU A 69 3.773 -1.727 -12.008 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.227 -0.679 -11.705 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.751 -2.210 -13.127 1.00 0.00 O ATOM 0 H GLU A 69 3.771 -3.197 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 69 6.434 -2.877 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.949 -1.105 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.464 -0.689 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.454 -2.895 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.939 -3.311 -10.554 1.00 0.00 H new ATOM 1063 N THR A 70 5.509 -0.719 -6.802 1.00 0.00 N ATOM 1064 CA THR A 70 6.060 0.251 -5.859 1.00 0.00 C ATOM 1065 C THR A 70 7.163 -0.398 -5.054 1.00 0.00 C ATOM 1066 O THR A 70 8.256 0.144 -4.887 1.00 0.00 O ATOM 1067 CB THR A 70 4.963 0.745 -4.927 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.918 1.327 -5.693 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.534 1.790 -3.967 1.00 0.00 C ATOM 0 H THR A 70 4.515 -0.914 -6.684 1.00 0.00 H new ATOM 0 HA THR A 70 6.467 1.099 -6.410 1.00 0.00 H new ATOM 0 HB THR A 70 4.571 -0.095 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.366 0.618 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.746 2.142 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.335 1.343 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.929 2.631 -4.537 1.00 0.00 H new ATOM 1077 N TRP A 71 6.834 -1.574 -4.552 1.00 0.00 N ATOM 1078 CA TRP A 71 7.741 -2.356 -3.746 1.00 0.00 C ATOM 1079 C TRP A 71 9.012 -2.636 -4.538 1.00 0.00 C ATOM 1080 O TRP A 71 10.107 -2.621 -3.974 1.00 0.00 O ATOM 1081 CB TRP A 71 6.980 -3.614 -3.313 1.00 0.00 C ATOM 1082 CG TRP A 71 7.838 -4.589 -2.560 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.935 -5.905 -2.862 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.674 -4.383 -1.372 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.798 -6.510 -1.969 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.279 -5.620 -1.032 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.980 -3.262 -0.568 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 10.146 -5.741 0.054 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.850 -3.387 0.527 1.00 0.00 C ATOM 1090 CH2 TRP A 71 10.432 -4.622 0.835 1.00 0.00 C ATOM 0 H TRP A 71 5.924 -2.012 -4.695 1.00 0.00 H new ATOM 0 HA TRP A 71 8.069 -1.833 -2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.135 -3.324 -2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.570 -4.105 -4.195 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.420 -6.402 -3.671 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.050 -7.498 -1.999 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.542 -2.302 -0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.593 -6.696 0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 10.072 -2.523 1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.102 -4.708 1.677 1.00 0.00 H new ATOM 1101 N GLU A 72 8.884 -2.899 -5.831 1.00 0.00 N ATOM 1102 CA GLU A 72 10.048 -3.188 -6.679 1.00 0.00 C ATOM 1103 C GLU A 72 10.838 -1.930 -7.050 1.00 0.00 C ATOM 1104 O GLU A 72 11.985 -2.050 -7.481 1.00 0.00 O ATOM 1105 CB GLU A 72 9.618 -3.933 -7.944 1.00 0.00 C ATOM 1106 CG GLU A 72 9.174 -5.352 -7.578 1.00 0.00 C ATOM 1107 CD GLU A 72 10.381 -6.183 -7.153 1.00 0.00 C ATOM 1108 OE1 GLU A 72 11.489 -5.802 -7.497 1.00 0.00 O ATOM 1109 OE2 GLU A 72 10.182 -7.185 -6.487 1.00 0.00 O ATOM 0 H GLU A 72 7.990 -2.920 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 72 10.713 -3.822 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.802 -3.400 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.444 -3.971 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.444 -5.316 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.682 -5.820 -8.431 1.00 0.00 H new ATOM 1116 N SER A 73 10.257 -0.726 -6.909 1.00 0.00 N ATOM 1117 CA SER A 73 10.989 0.502 -7.275 1.00 0.00 C ATOM 1118 C SER A 73 11.418 1.258 -6.030 1.00 0.00 C ATOM 1119 O SER A 73 11.603 2.476 -6.058 1.00 0.00 O ATOM 1120 CB SER A 73 10.114 1.404 -8.145 1.00 0.00 C ATOM 1121 OG SER A 73 9.074 1.960 -7.351 1.00 0.00 O ATOM 0 H SER A 73 9.312 -0.576 -6.556 1.00 0.00 H new ATOM 0 HA SER A 73 11.876 0.213 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.716 2.199 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.690 0.832 -8.970 1.00 0.00 H new ATOM 0 HG SER A 73 8.868 1.353 -6.610 1.00 0.00 H new ATOM 1127 N ALA A 74 11.511 0.537 -4.926 1.00 0.00 N ATOM 1128 CA ALA A 74 11.841 1.117 -3.636 1.00 0.00 C ATOM 1129 C ALA A 74 13.110 1.975 -3.601 1.00 0.00 C ATOM 1130 O ALA A 74 13.185 2.925 -2.843 1.00 0.00 O ATOM 1131 CB ALA A 74 11.997 -0.020 -2.625 1.00 0.00 C ATOM 0 H ALA A 74 11.359 -0.471 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 74 11.022 1.796 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.245 0.394 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.062 -0.577 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.795 -0.688 -2.949 1.00 0.00 H new ATOM 1137 N ASP A 75 14.110 1.635 -4.401 1.00 0.00 N ATOM 1138 CA ASP A 75 15.366 2.394 -4.394 1.00 0.00 C ATOM 1139 C ASP A 75 15.208 3.806 -4.976 1.00 0.00 C ATOM 1140 O ASP A 75 16.052 4.669 -4.736 1.00 0.00 O ATOM 1141 CB ASP A 75 16.417 1.644 -5.219 1.00 0.00 C ATOM 1142 CG ASP A 75 16.849 0.371 -4.499 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.808 0.361 -3.279 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.212 -0.574 -5.178 1.00 0.00 O ATOM 0 H ASP A 75 14.085 0.853 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 75 15.674 2.492 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.009 1.395 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.282 2.286 -5.387 1.00 0.00 H new ATOM 1149 N ASP A 76 14.161 4.041 -5.758 1.00 0.00 N ATOM 1150 CA ASP A 76 13.953 5.356 -6.382 1.00 0.00 C ATOM 1151 C ASP A 76 13.076 6.290 -5.539 1.00 0.00 C ATOM 1152 O ASP A 76 13.390 7.472 -5.406 1.00 0.00 O ATOM 1153 CB ASP A 76 13.311 5.162 -7.758 1.00 0.00 C ATOM 1154 CG ASP A 76 14.328 4.571 -8.728 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.503 4.868 -8.578 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.921 3.829 -9.607 1.00 0.00 O ATOM 0 H ASP A 76 13.445 3.349 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 76 14.931 5.830 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.448 4.502 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.947 6.117 -8.137 1.00 0.00 H new ATOM 1161 N TRP A 77 11.964 5.795 -5.011 1.00 0.00 N ATOM 1162 CA TRP A 77 11.059 6.659 -4.240 1.00 0.00 C ATOM 1163 C TRP A 77 11.371 6.712 -2.740 1.00 0.00 C ATOM 1164 O TRP A 77 10.959 7.656 -2.068 1.00 0.00 O ATOM 1165 CB TRP A 77 9.606 6.241 -4.466 1.00 0.00 C ATOM 1166 CG TRP A 77 9.288 4.965 -3.736 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.238 3.723 -4.303 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.958 4.774 -2.317 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.882 2.806 -3.337 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.703 3.394 -2.106 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.847 5.641 -1.196 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.353 2.898 -0.854 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.496 5.132 0.056 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.248 3.771 0.225 1.00 0.00 C ATOM 0 H TRP A 77 11.665 4.823 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 77 11.219 7.670 -4.614 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.940 7.034 -4.126 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.425 6.108 -5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.444 3.497 -5.339 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.765 1.808 -3.514 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.035 6.698 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.164 1.843 -0.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.416 5.799 0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.973 3.392 1.198 1.00 0.00 H new ATOM 1185 N PHE A 78 12.119 5.749 -2.210 1.00 0.00 N ATOM 1186 CA PHE A 78 12.461 5.791 -0.779 1.00 0.00 C ATOM 1187 C PHE A 78 13.751 6.571 -0.558 1.00 0.00 C ATOM 1188 O PHE A 78 14.785 6.258 -1.147 1.00 0.00 O ATOM 1189 CB PHE A 78 12.608 4.378 -0.205 1.00 0.00 C ATOM 1190 CG PHE A 78 13.182 4.448 1.202 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.329 4.574 2.307 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.575 4.404 1.397 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.866 4.649 3.599 1.00 0.00 C ATOM 1194 CE2 PHE A 78 15.106 4.478 2.689 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.252 4.598 3.790 1.00 0.00 C ATOM 0 H PHE A 78 12.493 4.951 -2.724 1.00 0.00 H new ATOM 0 HA PHE A 78 11.646 6.295 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.638 3.881 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.260 3.782 -0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.259 4.613 2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.235 4.313 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.209 4.746 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.175 4.442 2.836 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.662 4.651 4.788 1.00 0.00 H new ATOM 1205 N VAL A 79 13.677 7.599 0.284 1.00 0.00 N ATOM 1206 CA VAL A 79 14.825 8.448 0.582 1.00 0.00 C ATOM 1207 C VAL A 79 15.063 8.468 2.090 1.00 0.00 C ATOM 1208 O VAL A 79 14.105 8.592 2.853 1.00 0.00 O ATOM 1209 CB VAL A 79 14.510 9.869 0.086 1.00 0.00 C ATOM 1210 CG1 VAL A 79 14.733 9.956 -1.428 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.042 10.203 0.388 1.00 0.00 C ATOM 0 H VAL A 79 12.824 7.865 0.776 1.00 0.00 H new ATOM 0 HA VAL A 79 15.720 8.068 0.089 1.00 0.00 H new ATOM 0 HB VAL A 79 15.167 10.574 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.508 10.966 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.772 9.718 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.078 9.246 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.818 11.210 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.394 9.489 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.870 10.147 1.463 1.00 0.00 H new ATOM 1221 N SER A 80 16.316 8.351 2.540 1.00 0.00 N ATOM 1222 CA SER A 80 16.608 8.366 3.979 1.00 0.00 C ATOM 1223 C SER A 80 17.602 9.474 4.313 1.00 0.00 C ATOM 1224 O SER A 80 18.568 9.701 3.584 1.00 0.00 O ATOM 1225 CB SER A 80 17.204 7.014 4.398 1.00 0.00 C ATOM 1226 OG SER A 80 18.291 6.698 3.538 1.00 0.00 O ATOM 0 H SER A 80 17.134 8.246 1.940 1.00 0.00 H new ATOM 0 HA SER A 80 15.679 8.548 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.544 7.057 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.443 6.235 4.344 1.00 0.00 H new ATOM 0 HG SER A 80 18.677 5.837 3.802 1.00 0.00 H new ATOM 1232 N GLU A 81 17.351 10.160 5.424 1.00 0.00 N ATOM 1233 CA GLU A 81 18.222 11.245 5.858 1.00 0.00 C ATOM 1234 C GLU A 81 17.929 11.614 7.310 1.00 0.00 C ATOM 1235 O GLU A 81 18.836 12.081 7.976 1.00 0.00 O ATOM 1236 CB GLU A 81 18.016 12.467 4.957 1.00 0.00 C ATOM 1237 CG GLU A 81 18.982 13.586 5.361 1.00 0.00 C ATOM 1238 CD GLU A 81 18.775 14.801 4.462 1.00 0.00 C ATOM 1239 OE1 GLU A 81 17.851 14.773 3.666 1.00 0.00 O ATOM 1240 OE2 GLU A 81 19.542 15.740 4.584 1.00 0.00 O ATOM 1241 OXT GLU A 81 16.800 11.422 7.733 1.00 0.00 O ATOM 0 H GLU A 81 16.555 9.984 6.037 1.00 0.00 H new ATOM 0 HA GLU A 81 19.258 10.914 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.180 12.192 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 81 16.987 12.818 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.818 13.861 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.011 13.236 5.282 1.00 0.00 H new TER 1248 GLU A 81