USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 531 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -43:sc= 0.178 USER MOD Single : A 9 SER OG : rot -53:sc= 0.776 USER MOD Single : A -1 GLY N :NH3+ -123:sc= 0.0563 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.04 K(o=-1,f=-0.23!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.108 K(o=0.11,f=-0.45) USER MOD Single : A 23 ASN : amide:sc= -4.7! C(o=-4.7!,f=-7.6!) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.354 USER MOD Single : A 32 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -2.36 K(o=-2.4,f=-0.59) USER MOD Single : A 35 SER OG : rot 180:sc= -1.35 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.52) USER MOD Single : A 44 GLN : amide:sc= -6.87! K(o=-6.9!,f=0.38) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -0.393 -28.082 22.198 1.00 0.00 N ATOM 2 CA GLY A -1 0.693 -28.492 21.265 1.00 0.00 C ATOM 3 C GLY A -1 1.022 -27.416 20.250 1.00 0.00 C ATOM 4 O GLY A -1 0.595 -26.270 20.389 1.00 0.00 O ATOM 0 H1 GLY A -1 -0.050 -28.144 23.178 1.00 0.00 H new ATOM 0 H2 GLY A -1 -0.677 -27.103 21.992 1.00 0.00 H new ATOM 0 H3 GLY A -1 -1.211 -28.712 22.077 1.00 0.00 H new ATOM 0 HA2 GLY A -1 1.588 -28.733 21.838 1.00 0.00 H new ATOM 0 HA3 GLY A -1 0.395 -29.401 20.743 1.00 0.00 H new ATOM 10 N ASP A 0 1.785 -27.785 19.225 1.00 0.00 N ATOM 11 CA ASP A 0 2.171 -26.841 18.181 1.00 0.00 C ATOM 12 C ASP A 0 2.479 -27.569 16.878 1.00 0.00 C ATOM 13 O ASP A 0 3.589 -28.061 16.676 1.00 0.00 O ATOM 14 CB ASP A 0 3.389 -26.029 18.626 1.00 0.00 C ATOM 15 CG ASP A 0 3.685 -24.873 17.689 1.00 0.00 C ATOM 16 OD1 ASP A 0 2.911 -23.892 17.693 1.00 0.00 O ATOM 17 OD2 ASP A 0 4.689 -24.948 16.951 1.00 0.00 O ATOM 0 H ASP A 0 2.148 -28.729 19.095 1.00 0.00 H new ATOM 0 HA ASP A 0 1.334 -26.164 18.009 1.00 0.00 H new ATOM 0 HB2 ASP A 0 3.218 -25.644 19.631 1.00 0.00 H new ATOM 0 HB3 ASP A 0 4.259 -26.683 18.678 1.00 0.00 H new ATOM 22 N GLU A 1 1.489 -27.633 15.994 1.00 0.00 N ATOM 23 CA GLU A 1 1.654 -28.301 14.708 1.00 0.00 C ATOM 24 C GLU A 1 0.473 -28.005 13.787 1.00 0.00 C ATOM 25 O GLU A 1 -0.204 -28.916 13.314 1.00 0.00 O ATOM 26 CB GLU A 1 1.796 -29.811 14.909 1.00 0.00 C ATOM 27 CG GLU A 1 0.733 -30.407 15.818 1.00 0.00 C ATOM 28 CD GLU A 1 1.166 -31.720 16.440 1.00 0.00 C ATOM 29 OE1 GLU A 1 1.166 -32.744 15.723 1.00 0.00 O ATOM 30 OE2 GLU A 1 1.506 -31.725 17.641 1.00 0.00 O ATOM 0 H GLU A 1 0.564 -27.230 16.144 1.00 0.00 H new ATOM 0 HA GLU A 1 2.561 -27.918 14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.750 -30.304 13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.780 -30.022 15.327 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.496 -29.695 16.609 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.182 -30.564 15.246 1.00 0.00 H new ATOM 37 N LYS A 2 0.235 -26.721 13.537 1.00 0.00 N ATOM 38 CA LYS A 2 -0.862 -26.301 12.673 1.00 0.00 C ATOM 39 C LYS A 2 -0.868 -24.783 12.505 1.00 0.00 C ATOM 40 O LYS A 2 -1.784 -24.098 12.957 1.00 0.00 O ATOM 41 CB LYS A 2 -2.201 -26.778 13.248 1.00 0.00 C ATOM 42 CG LYS A 2 -2.864 -27.866 12.418 1.00 0.00 C ATOM 43 CD LYS A 2 -4.081 -28.442 13.125 1.00 0.00 C ATOM 44 CE LYS A 2 -5.300 -27.549 12.959 1.00 0.00 C ATOM 45 NZ LYS A 2 -5.749 -26.975 14.257 1.00 0.00 N ATOM 0 H LYS A 2 0.787 -25.954 13.921 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.719 -26.753 11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.041 -27.151 14.260 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.878 -25.927 13.325 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.162 -27.458 11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.146 -28.662 12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.298 -29.433 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.862 -28.566 14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.066 -26.741 12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.113 -28.124 12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.582 -26.372 14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.997 -27.745 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.982 -26.405 14.668 1.00 0.00 H new ATOM 59 N ARG A 3 0.166 -24.263 11.849 1.00 0.00 N ATOM 60 CA ARG A 3 0.281 -22.828 11.621 1.00 0.00 C ATOM 61 C ARG A 3 -0.042 -22.482 10.169 1.00 0.00 C ATOM 62 O ARG A 3 0.384 -23.180 9.247 1.00 0.00 O ATOM 63 CB ARG A 3 1.689 -22.344 11.973 1.00 0.00 C ATOM 64 CG ARG A 3 2.791 -23.105 11.255 1.00 0.00 C ATOM 65 CD ARG A 3 3.239 -24.319 12.053 1.00 0.00 C ATOM 66 NE ARG A 3 4.694 -24.446 12.088 1.00 0.00 N ATOM 67 CZ ARG A 3 5.344 -25.315 12.858 1.00 0.00 C ATOM 68 NH1 ARG A 3 4.674 -26.136 13.656 1.00 0.00 N ATOM 69 NH2 ARG A 3 6.670 -25.365 12.828 1.00 0.00 N ATOM 0 H ARG A 3 0.935 -24.814 11.467 1.00 0.00 H new ATOM 0 HA ARG A 3 -0.439 -22.323 12.266 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.772 -21.285 11.729 1.00 0.00 H new ATOM 0 HB3 ARG A 3 1.837 -22.436 13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.436 -23.423 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.641 -22.444 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.857 -24.244 13.071 1.00 0.00 H new ATOM 0 HD3 ARG A 3 2.807 -25.219 11.616 1.00 0.00 H new ATOM 0 HE ARG A 3 5.244 -23.832 11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.655 -26.103 13.682 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.178 -26.800 14.244 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.190 -24.737 12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.169 -26.031 13.418 1.00 0.00 H new ATOM 83 N PRO A 4 -0.802 -21.395 9.941 1.00 0.00 N ATOM 84 CA PRO A 4 -1.178 -20.965 8.595 1.00 0.00 C ATOM 85 C PRO A 4 -0.059 -20.199 7.897 1.00 0.00 C ATOM 86 O PRO A 4 1.042 -20.065 8.433 1.00 0.00 O ATOM 87 CB PRO A 4 -2.373 -20.051 8.851 1.00 0.00 C ATOM 88 CG PRO A 4 -2.112 -19.461 10.194 1.00 0.00 C ATOM 89 CD PRO A 4 -1.356 -20.504 10.980 1.00 0.00 C ATOM 0 HA PRO A 4 -1.395 -21.807 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.452 -19.278 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.309 -20.609 8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.531 -18.543 10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.046 -19.201 10.692 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.568 -20.056 11.584 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.012 -21.044 11.662 1.00 0.00 H new ATOM 97 N ARG A 5 -0.348 -19.699 6.702 1.00 0.00 N ATOM 98 CA ARG A 5 0.633 -18.944 5.931 1.00 0.00 C ATOM 99 C ARG A 5 -0.029 -17.795 5.187 1.00 0.00 C ATOM 100 O ARG A 5 0.242 -17.561 4.009 1.00 0.00 O ATOM 101 CB ARG A 5 1.362 -19.869 4.950 1.00 0.00 C ATOM 102 CG ARG A 5 2.868 -19.907 5.157 1.00 0.00 C ATOM 103 CD ARG A 5 3.502 -21.071 4.411 1.00 0.00 C ATOM 104 NE ARG A 5 4.936 -21.171 4.668 1.00 0.00 N ATOM 105 CZ ARG A 5 5.850 -20.403 4.079 1.00 0.00 C ATOM 106 NH1 ARG A 5 5.483 -19.480 3.200 1.00 0.00 N ATOM 107 NH2 ARG A 5 7.133 -20.560 4.371 1.00 0.00 N ATOM 0 H ARG A 5 -1.254 -19.803 6.245 1.00 0.00 H new ATOM 0 HA ARG A 5 1.362 -18.523 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.964 -20.879 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.151 -19.544 3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.308 -18.970 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.088 -19.992 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.015 -22.000 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.333 -20.951 3.341 1.00 0.00 H new ATOM 0 HE ARG A 5 5.256 -21.870 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.496 -19.356 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.187 -18.894 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.419 -21.269 5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.834 -19.972 3.920 1.00 0.00 H new ATOM 121 N THR A 6 -0.892 -17.071 5.890 1.00 0.00 N ATOM 122 CA THR A 6 -1.588 -15.939 5.302 1.00 0.00 C ATOM 123 C THR A 6 -2.268 -15.093 6.370 1.00 0.00 C ATOM 124 O THR A 6 -2.117 -13.872 6.397 1.00 0.00 O ATOM 125 CB THR A 6 -2.627 -16.409 4.291 1.00 0.00 C ATOM 126 OG1 THR A 6 -2.111 -17.441 3.468 1.00 0.00 O ATOM 127 CG2 THR A 6 -3.095 -15.295 3.394 1.00 0.00 C ATOM 0 H THR A 6 -1.125 -17.250 6.867 1.00 0.00 H new ATOM 0 HA THR A 6 -0.842 -15.328 4.794 1.00 0.00 H new ATOM 0 HB THR A 6 -3.468 -16.776 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.199 -17.214 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.834 -15.680 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.544 -14.506 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.246 -14.891 2.842 1.00 0.00 H new ATOM 135 N ALA A 7 -3.020 -15.746 7.252 1.00 0.00 N ATOM 136 CA ALA A 7 -3.718 -15.039 8.319 1.00 0.00 C ATOM 137 C ALA A 7 -2.775 -14.104 9.053 1.00 0.00 C ATOM 138 O ALA A 7 -3.211 -13.102 9.612 1.00 0.00 O ATOM 139 CB ALA A 7 -4.345 -16.012 9.296 1.00 0.00 C ATOM 0 H ALA A 7 -3.160 -16.756 7.249 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.511 -14.448 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.859 -15.458 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.060 -16.645 8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.568 -16.634 9.740 1.00 0.00 H new ATOM 145 N PHE A 8 -1.481 -14.450 9.032 1.00 0.00 N ATOM 146 CA PHE A 8 -0.423 -13.661 9.671 1.00 0.00 C ATOM 147 C PHE A 8 0.671 -14.559 10.221 1.00 0.00 C ATOM 148 O PHE A 8 0.431 -15.371 11.113 1.00 0.00 O ATOM 149 CB PHE A 8 -0.955 -12.785 10.809 1.00 0.00 C ATOM 150 CG PHE A 8 -1.335 -11.404 10.371 1.00 0.00 C ATOM 151 CD1 PHE A 8 -1.720 -11.166 9.064 1.00 0.00 C ATOM 152 CD2 PHE A 8 -1.321 -10.352 11.265 1.00 0.00 C ATOM 153 CE1 PHE A 8 -2.088 -9.906 8.653 1.00 0.00 C ATOM 154 CE2 PHE A 8 -1.684 -9.081 10.862 1.00 0.00 C ATOM 155 CZ PHE A 8 -2.070 -8.857 9.553 1.00 0.00 C ATOM 0 H PHE A 8 -1.138 -15.291 8.568 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.018 -13.013 8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.825 -13.269 11.254 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.196 -12.715 11.588 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.732 -11.981 8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.024 -10.524 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.390 -9.737 7.630 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.666 -8.264 11.568 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.357 -7.865 9.235 1.00 0.00 H new ATOM 165 N SER A 9 1.879 -14.393 9.703 1.00 0.00 N ATOM 166 CA SER A 9 3.005 -15.179 10.172 1.00 0.00 C ATOM 167 C SER A 9 4.319 -14.445 9.953 1.00 0.00 C ATOM 168 O SER A 9 5.358 -15.061 9.721 1.00 0.00 O ATOM 169 CB SER A 9 3.035 -16.549 9.493 1.00 0.00 C ATOM 170 OG SER A 9 4.050 -17.371 10.045 1.00 0.00 O ATOM 0 H SER A 9 2.101 -13.726 8.964 1.00 0.00 H new ATOM 0 HA SER A 9 2.878 -15.330 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.067 -17.036 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.205 -16.425 8.424 1.00 0.00 H new ATOM 0 HG SER A 9 4.905 -16.892 10.026 1.00 0.00 H new ATOM 176 N SER A 10 4.245 -13.120 10.035 1.00 0.00 N ATOM 177 CA SER A 10 5.405 -12.238 9.859 1.00 0.00 C ATOM 178 C SER A 10 5.561 -11.834 8.403 1.00 0.00 C ATOM 179 O SER A 10 6.086 -10.764 8.092 1.00 0.00 O ATOM 180 CB SER A 10 6.687 -12.921 10.332 1.00 0.00 C ATOM 181 OG SER A 10 7.708 -11.973 10.590 1.00 0.00 O ATOM 0 H SER A 10 3.376 -12.621 10.226 1.00 0.00 H new ATOM 0 HA SER A 10 5.232 -11.347 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.484 -13.495 11.236 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.026 -13.628 9.575 1.00 0.00 H new ATOM 0 HG SER A 10 8.516 -12.437 10.893 1.00 0.00 H new ATOM 187 N GLU A 11 5.112 -12.705 7.521 1.00 0.00 N ATOM 188 CA GLU A 11 5.203 -12.465 6.085 1.00 0.00 C ATOM 189 C GLU A 11 4.050 -11.597 5.593 1.00 0.00 C ATOM 190 O GLU A 11 4.229 -10.752 4.717 1.00 0.00 O ATOM 191 CB GLU A 11 5.217 -13.792 5.326 1.00 0.00 C ATOM 192 CG GLU A 11 6.463 -14.626 5.582 1.00 0.00 C ATOM 193 CD GLU A 11 7.311 -14.808 4.339 1.00 0.00 C ATOM 194 OE1 GLU A 11 7.696 -13.789 3.728 1.00 0.00 O ATOM 195 OE2 GLU A 11 7.590 -15.971 3.976 1.00 0.00 O ATOM 0 H GLU A 11 4.677 -13.593 7.771 1.00 0.00 H new ATOM 0 HA GLU A 11 6.135 -11.932 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.338 -14.371 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.138 -13.591 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.061 -14.149 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.169 -15.604 5.962 1.00 0.00 H new ATOM 202 N GLN A 12 2.868 -11.810 6.158 1.00 0.00 N ATOM 203 CA GLN A 12 1.689 -11.045 5.768 1.00 0.00 C ATOM 204 C GLN A 12 1.660 -9.684 6.460 1.00 0.00 C ATOM 205 O GLN A 12 0.961 -8.771 6.019 1.00 0.00 O ATOM 206 CB GLN A 12 0.414 -11.829 6.086 1.00 0.00 C ATOM 207 CG GLN A 12 -0.332 -12.293 4.845 1.00 0.00 C ATOM 208 CD GLN A 12 -1.630 -11.540 4.628 1.00 0.00 C ATOM 209 OE1 GLN A 12 -2.717 -12.101 4.761 1.00 0.00 O ATOM 210 NE2 GLN A 12 -1.521 -10.259 4.292 1.00 0.00 N ATOM 0 H GLN A 12 2.700 -12.504 6.886 1.00 0.00 H new ATOM 0 HA GLN A 12 1.740 -10.876 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.671 -12.697 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.247 -11.205 6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.308 -12.165 3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.545 -13.359 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.599 -9.834 4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.359 -9.700 4.133 1.00 0.00 H new ATOM 219 N LEU A 13 2.426 -9.548 7.539 1.00 0.00 N ATOM 220 CA LEU A 13 2.485 -8.289 8.275 1.00 0.00 C ATOM 221 C LEU A 13 3.682 -7.458 7.819 1.00 0.00 C ATOM 222 O LEU A 13 3.672 -6.231 7.921 1.00 0.00 O ATOM 223 CB LEU A 13 2.558 -8.533 9.791 1.00 0.00 C ATOM 224 CG LEU A 13 2.892 -9.964 10.221 1.00 0.00 C ATOM 225 CD1 LEU A 13 3.269 -10.003 11.694 1.00 0.00 C ATOM 226 CD2 LEU A 13 1.716 -10.891 9.943 1.00 0.00 C ATOM 0 H LEU A 13 3.012 -10.290 7.922 1.00 0.00 H new ATOM 0 HA LEU A 13 1.569 -7.737 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.308 -7.863 10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.600 -8.256 10.231 1.00 0.00 H new ATOM 0 HG LEU A 13 3.747 -10.310 9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.503 -11.028 11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.140 -9.370 11.864 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.434 -9.639 12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.970 -11.904 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.843 -10.548 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.492 -10.885 8.876 1.00 0.00 H new ATOM 238 N ALA A 14 4.707 -8.135 7.310 1.00 0.00 N ATOM 239 CA ALA A 14 5.906 -7.460 6.831 1.00 0.00 C ATOM 240 C ALA A 14 5.725 -6.987 5.392 1.00 0.00 C ATOM 241 O ALA A 14 6.308 -5.985 4.980 1.00 0.00 O ATOM 242 CB ALA A 14 7.109 -8.384 6.939 1.00 0.00 C ATOM 0 H ALA A 14 4.730 -9.151 7.219 1.00 0.00 H new ATOM 0 HA ALA A 14 6.079 -6.584 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.998 -7.867 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.254 -8.672 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.938 -9.276 6.336 1.00 0.00 H new ATOM 248 N ARG A 15 4.913 -7.717 4.633 1.00 0.00 N ATOM 249 CA ARG A 15 4.655 -7.372 3.239 1.00 0.00 C ATOM 250 C ARG A 15 3.795 -6.116 3.141 1.00 0.00 C ATOM 251 O ARG A 15 3.986 -5.290 2.248 1.00 0.00 O ATOM 252 CB ARG A 15 3.965 -8.536 2.522 1.00 0.00 C ATOM 253 CG ARG A 15 4.896 -9.332 1.620 1.00 0.00 C ATOM 254 CD ARG A 15 4.553 -9.136 0.152 1.00 0.00 C ATOM 255 NE ARG A 15 5.715 -9.334 -0.713 1.00 0.00 N ATOM 256 CZ ARG A 15 6.785 -8.541 -0.708 1.00 0.00 C ATOM 257 NH1 ARG A 15 6.845 -7.500 0.113 1.00 0.00 N ATOM 258 NH2 ARG A 15 7.798 -8.791 -1.527 1.00 0.00 N ATOM 0 H ARG A 15 4.423 -8.550 4.959 1.00 0.00 H new ATOM 0 HA ARG A 15 5.612 -7.174 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.533 -9.205 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.140 -8.147 1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.927 -9.025 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.831 -10.391 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.766 -9.834 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.157 -8.131 0.003 1.00 0.00 H new ATOM 0 HE ARG A 15 5.706 -10.125 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.069 -7.304 0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.667 -6.896 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.757 -9.590 -2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.618 -8.184 -1.524 1.00 0.00 H new ATOM 272 N ALA A 16 2.847 -5.979 4.062 1.00 0.00 N ATOM 273 CA ALA A 16 1.959 -4.824 4.076 1.00 0.00 C ATOM 274 C ALA A 16 2.745 -3.530 4.253 1.00 0.00 C ATOM 275 O ALA A 16 2.456 -2.522 3.610 1.00 0.00 O ATOM 276 CB ALA A 16 0.923 -4.968 5.182 1.00 0.00 C ATOM 0 H ALA A 16 2.675 -6.653 4.808 1.00 0.00 H new ATOM 0 HA ALA A 16 1.446 -4.780 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.266 -4.098 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.333 -5.869 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.427 -5.041 6.146 1.00 0.00 H new ATOM 282 N LYS A 17 3.745 -3.569 5.127 1.00 0.00 N ATOM 283 CA LYS A 17 4.580 -2.404 5.388 1.00 0.00 C ATOM 284 C LYS A 17 5.280 -1.955 4.116 1.00 0.00 C ATOM 285 O LYS A 17 5.269 -0.774 3.768 1.00 0.00 O ATOM 286 CB LYS A 17 5.611 -2.721 6.473 1.00 0.00 C ATOM 287 CG LYS A 17 5.306 -2.059 7.807 1.00 0.00 C ATOM 288 CD LYS A 17 5.394 -3.048 8.957 1.00 0.00 C ATOM 289 CE LYS A 17 4.027 -3.615 9.309 1.00 0.00 C ATOM 290 NZ LYS A 17 3.424 -2.926 10.484 1.00 0.00 N ATOM 0 H LYS A 17 3.997 -4.397 5.667 1.00 0.00 H new ATOM 0 HA LYS A 17 3.940 -1.594 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.659 -3.801 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.596 -2.400 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.006 -1.241 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.307 -1.623 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.068 -3.861 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.821 -2.555 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.362 -3.518 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.120 -4.680 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.494 -3.342 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.046 -3.040 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.311 -1.914 10.273 1.00 0.00 H new ATOM 304 N ARG A 18 5.879 -2.910 3.420 1.00 0.00 N ATOM 305 CA ARG A 18 6.578 -2.628 2.176 1.00 0.00 C ATOM 306 C ARG A 18 5.580 -2.352 1.059 1.00 0.00 C ATOM 307 O ARG A 18 5.850 -1.574 0.143 1.00 0.00 O ATOM 308 CB ARG A 18 7.463 -3.812 1.792 1.00 0.00 C ATOM 309 CG ARG A 18 8.769 -3.406 1.127 1.00 0.00 C ATOM 310 CD ARG A 18 8.910 -4.018 -0.259 1.00 0.00 C ATOM 311 NE ARG A 18 7.796 -3.658 -1.132 1.00 0.00 N ATOM 312 CZ ARG A 18 7.872 -3.624 -2.461 1.00 0.00 C ATOM 313 NH1 ARG A 18 9.005 -3.938 -3.078 1.00 0.00 N ATOM 314 NH2 ARG A 18 6.810 -3.279 -3.176 1.00 0.00 N ATOM 0 H ARG A 18 5.895 -3.891 3.698 1.00 0.00 H new ATOM 0 HA ARG A 18 7.201 -1.746 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.686 -4.393 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.909 -4.465 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.816 -2.320 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.607 -3.719 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.845 -3.685 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.967 -5.103 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 18 6.905 -3.418 -0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.824 -4.207 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.056 -3.910 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.936 -3.040 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.867 -3.253 -4.194 1.00 0.00 H new ATOM 328 N GLU A 19 4.428 -3.006 1.143 1.00 0.00 N ATOM 329 CA GLU A 19 3.380 -2.849 0.145 1.00 0.00 C ATOM 330 C GLU A 19 2.842 -1.424 0.130 1.00 0.00 C ATOM 331 O GLU A 19 2.680 -0.825 -0.932 1.00 0.00 O ATOM 332 CB GLU A 19 2.240 -3.834 0.411 1.00 0.00 C ATOM 333 CG GLU A 19 2.439 -5.187 -0.253 1.00 0.00 C ATOM 334 CD GLU A 19 1.901 -5.225 -1.670 1.00 0.00 C ATOM 335 OE1 GLU A 19 2.376 -4.428 -2.507 1.00 0.00 O ATOM 336 OE2 GLU A 19 1.005 -6.051 -1.944 1.00 0.00 O ATOM 0 H GLU A 19 4.196 -3.653 1.897 1.00 0.00 H new ATOM 0 HA GLU A 19 3.815 -3.060 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.138 -3.978 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.305 -3.399 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.502 -5.429 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.944 -5.955 0.341 1.00 0.00 H new ATOM 343 N PHE A 20 2.564 -0.880 1.313 1.00 0.00 N ATOM 344 CA PHE A 20 2.043 0.481 1.408 1.00 0.00 C ATOM 345 C PHE A 20 3.174 1.503 1.405 1.00 0.00 C ATOM 346 O PHE A 20 2.973 2.659 1.035 1.00 0.00 O ATOM 347 CB PHE A 20 1.157 0.642 2.653 1.00 0.00 C ATOM 348 CG PHE A 20 1.901 0.938 3.928 1.00 0.00 C ATOM 349 CD1 PHE A 20 2.523 2.164 4.121 1.00 0.00 C ATOM 350 CD2 PHE A 20 1.967 -0.007 4.937 1.00 0.00 C ATOM 351 CE1 PHE A 20 3.197 2.436 5.296 1.00 0.00 C ATOM 352 CE2 PHE A 20 2.639 0.261 6.114 1.00 0.00 C ATOM 353 CZ PHE A 20 3.255 1.482 6.294 1.00 0.00 C ATOM 0 H PHE A 20 2.689 -1.353 2.208 1.00 0.00 H new ATOM 0 HA PHE A 20 1.426 0.666 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.443 1.446 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.580 -0.272 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.480 2.913 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.487 -0.965 4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.678 3.393 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.682 -0.486 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.782 1.692 7.213 1.00 0.00 H new ATOM 363 N ASN A 21 4.365 1.070 1.804 1.00 0.00 N ATOM 364 CA ASN A 21 5.524 1.956 1.826 1.00 0.00 C ATOM 365 C ASN A 21 5.703 2.638 0.472 1.00 0.00 C ATOM 366 O ASN A 21 6.274 3.725 0.381 1.00 0.00 O ATOM 367 CB ASN A 21 6.788 1.171 2.188 1.00 0.00 C ATOM 368 CG ASN A 21 7.329 1.543 3.555 1.00 0.00 C ATOM 369 OD1 ASN A 21 8.461 2.012 3.680 1.00 0.00 O ATOM 370 ND2 ASN A 21 6.521 1.335 4.588 1.00 0.00 N ATOM 0 H ASN A 21 4.553 0.117 2.115 1.00 0.00 H new ATOM 0 HA ASN A 21 5.355 2.722 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.568 0.104 2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.554 1.355 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.830 1.566 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.591 0.944 4.437 1.00 0.00 H new ATOM 377 N GLU A 22 5.205 1.991 -0.580 1.00 0.00 N ATOM 378 CA GLU A 22 5.303 2.529 -1.930 1.00 0.00 C ATOM 379 C GLU A 22 4.030 3.282 -2.322 1.00 0.00 C ATOM 380 O GLU A 22 4.001 3.970 -3.343 1.00 0.00 O ATOM 381 CB GLU A 22 5.571 1.402 -2.931 1.00 0.00 C ATOM 382 CG GLU A 22 7.045 1.206 -3.245 1.00 0.00 C ATOM 383 CD GLU A 22 7.271 0.528 -4.582 1.00 0.00 C ATOM 384 OE1 GLU A 22 6.958 -0.676 -4.697 1.00 0.00 O ATOM 385 OE2 GLU A 22 7.759 1.201 -5.513 1.00 0.00 O ATOM 0 H GLU A 22 4.729 1.091 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 22 6.135 3.233 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.165 0.471 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.036 1.614 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.545 2.175 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.504 0.609 -2.457 1.00 0.00 H new ATOM 392 N ASN A 23 2.979 3.151 -1.514 1.00 0.00 N ATOM 393 CA ASN A 23 1.718 3.828 -1.795 1.00 0.00 C ATOM 394 C ASN A 23 1.224 4.613 -0.580 1.00 0.00 C ATOM 395 O ASN A 23 0.029 4.639 -0.289 1.00 0.00 O ATOM 396 CB ASN A 23 0.653 2.820 -2.237 1.00 0.00 C ATOM 397 CG ASN A 23 0.382 1.740 -1.211 1.00 0.00 C ATOM 398 OD1 ASN A 23 0.710 0.573 -1.427 1.00 0.00 O ATOM 399 ND2 ASN A 23 -0.233 2.115 -0.094 1.00 0.00 N ATOM 0 H ASN A 23 2.977 2.586 -0.665 1.00 0.00 H new ATOM 0 HA ASN A 23 1.897 4.534 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.275 3.352 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.970 2.353 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.451 1.425 0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.487 3.093 0.045 1.00 0.00 H new ATOM 406 N ARG A 24 2.152 5.248 0.127 1.00 0.00 N ATOM 407 CA ARG A 24 1.815 6.027 1.318 1.00 0.00 C ATOM 408 C ARG A 24 2.331 7.460 1.199 1.00 0.00 C ATOM 409 O ARG A 24 1.680 8.412 1.629 1.00 0.00 O ATOM 410 CB ARG A 24 2.416 5.337 2.552 1.00 0.00 C ATOM 411 CG ARG A 24 3.165 6.265 3.502 1.00 0.00 C ATOM 412 CD ARG A 24 3.124 5.752 4.933 1.00 0.00 C ATOM 413 NE ARG A 24 2.589 6.751 5.856 1.00 0.00 N ATOM 414 CZ ARG A 24 1.289 7.004 6.004 1.00 0.00 C ATOM 415 NH1 ARG A 24 0.389 6.333 5.294 1.00 0.00 N ATOM 416 NH2 ARG A 24 0.887 7.927 6.866 1.00 0.00 N ATOM 0 H ARG A 24 3.146 5.240 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 24 0.731 6.076 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.614 4.846 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.098 4.555 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.201 6.359 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.726 7.262 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.512 4.851 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.129 5.470 5.246 1.00 0.00 H new ATOM 0 HE ARG A 24 3.249 7.286 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.691 5.619 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.605 6.531 5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.573 8.444 7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.108 8.120 6.979 1.00 0.00 H new ATOM 430 N TYR A 25 3.513 7.586 0.628 1.00 0.00 N ATOM 431 CA TYR A 25 4.167 8.879 0.445 1.00 0.00 C ATOM 432 C TYR A 25 3.662 9.574 -0.818 1.00 0.00 C ATOM 433 O TYR A 25 3.453 10.785 -0.827 1.00 0.00 O ATOM 434 CB TYR A 25 5.674 8.669 0.321 1.00 0.00 C ATOM 435 CG TYR A 25 6.019 8.021 -0.989 1.00 0.00 C ATOM 436 CD1 TYR A 25 5.735 6.683 -1.201 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.561 8.755 -2.030 1.00 0.00 C ATOM 438 CE1 TYR A 25 5.990 6.088 -2.409 1.00 0.00 C ATOM 439 CE2 TYR A 25 6.815 8.172 -3.251 1.00 0.00 C ATOM 440 CZ TYR A 25 6.528 6.833 -3.439 1.00 0.00 C ATOM 441 OH TYR A 25 6.781 6.242 -4.656 1.00 0.00 O ATOM 0 H TYR A 25 4.053 6.796 0.275 1.00 0.00 H new ATOM 0 HA TYR A 25 3.937 9.505 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.187 9.627 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.027 8.047 1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.305 6.098 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.788 9.800 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.771 5.041 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.235 8.757 -4.056 1.00 0.00 H new ATOM 0 HH TYR A 25 6.141 5.515 -4.806 1.00 0.00 H new ATOM 451 N LEU A 26 3.480 8.795 -1.891 1.00 0.00 N ATOM 452 CA LEU A 26 3.010 9.335 -3.167 1.00 0.00 C ATOM 453 C LEU A 26 1.802 10.236 -2.953 1.00 0.00 C ATOM 454 O LEU A 26 1.567 11.179 -3.704 1.00 0.00 O ATOM 455 CB LEU A 26 2.662 8.195 -4.135 1.00 0.00 C ATOM 456 CG LEU A 26 1.287 7.553 -3.933 1.00 0.00 C ATOM 457 CD1 LEU A 26 0.965 6.605 -5.078 1.00 0.00 C ATOM 458 CD2 LEU A 26 1.231 6.819 -2.603 1.00 0.00 C ATOM 0 H LEU A 26 3.652 7.790 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 26 3.811 9.930 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.718 8.578 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.422 7.419 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 26 0.538 8.345 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.016 6.159 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.962 7.157 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.718 5.819 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.246 6.369 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.991 6.038 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.415 7.523 -1.791 1.00 0.00 H new ATOM 470 N THR A 27 1.063 9.940 -1.899 1.00 0.00 N ATOM 471 CA THR A 27 -0.116 10.706 -1.525 1.00 0.00 C ATOM 472 C THR A 27 0.268 12.166 -1.294 1.00 0.00 C ATOM 473 O THR A 27 -0.556 13.072 -1.422 1.00 0.00 O ATOM 474 CB THR A 27 -0.744 10.096 -0.266 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.192 10.674 0.905 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.550 8.591 -0.173 1.00 0.00 C ATOM 0 H THR A 27 1.263 9.159 -1.275 1.00 0.00 H new ATOM 0 HA THR A 27 -0.850 10.670 -2.330 1.00 0.00 H new ATOM 0 HB THR A 27 -1.810 10.308 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.474 10.066 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.017 8.220 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.009 8.111 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.516 8.362 -0.155 1.00 0.00 H new ATOM 484 N GLU A 28 1.542 12.374 -0.979 1.00 0.00 N ATOM 485 CA GLU A 28 2.090 13.702 -0.753 1.00 0.00 C ATOM 486 C GLU A 28 3.372 13.877 -1.570 1.00 0.00 C ATOM 487 O GLU A 28 4.210 14.722 -1.261 1.00 0.00 O ATOM 488 CB GLU A 28 2.384 13.907 0.734 1.00 0.00 C ATOM 489 CG GLU A 28 1.238 14.550 1.497 1.00 0.00 C ATOM 490 CD GLU A 28 0.846 13.764 2.734 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.685 12.985 3.233 1.00 0.00 O ATOM 492 OE2 GLU A 28 -0.301 13.928 3.203 1.00 0.00 O ATOM 0 H GLU A 28 2.224 11.623 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 28 1.359 14.446 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.615 12.943 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.273 14.529 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.523 15.561 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.374 14.640 0.839 1.00 0.00 H new ATOM 499 N ARG A 29 3.511 13.058 -2.615 1.00 0.00 N ATOM 500 CA ARG A 29 4.683 13.098 -3.484 1.00 0.00 C ATOM 501 C ARG A 29 4.272 13.225 -4.949 1.00 0.00 C ATOM 502 O ARG A 29 4.764 14.095 -5.667 1.00 0.00 O ATOM 503 CB ARG A 29 5.530 11.837 -3.290 1.00 0.00 C ATOM 504 CG ARG A 29 7.021 12.118 -3.192 1.00 0.00 C ATOM 505 CD ARG A 29 7.777 11.565 -4.390 1.00 0.00 C ATOM 506 NE ARG A 29 7.775 12.494 -5.519 1.00 0.00 N ATOM 507 CZ ARG A 29 8.451 13.641 -5.537 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.179 14.006 -4.490 1.00 0.00 N ATOM 509 NH2 ARG A 29 8.398 14.424 -6.606 1.00 0.00 N ATOM 0 H ARG A 29 2.820 12.356 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 29 5.274 13.973 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.204 11.326 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.350 11.156 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.185 13.193 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.415 11.676 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.806 11.349 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.327 10.621 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 29 7.223 12.249 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.223 13.407 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.695 14.886 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.840 14.147 -7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.916 15.303 -6.621 1.00 0.00 H new ATOM 523 N ARG A 30 3.370 12.349 -5.390 1.00 0.00 N ATOM 524 CA ARG A 30 2.904 12.367 -6.775 1.00 0.00 C ATOM 525 C ARG A 30 1.377 12.316 -6.863 1.00 0.00 C ATOM 526 O ARG A 30 0.817 12.246 -7.957 1.00 0.00 O ATOM 527 CB ARG A 30 3.502 11.195 -7.560 1.00 0.00 C ATOM 528 CG ARG A 30 4.907 10.813 -7.121 1.00 0.00 C ATOM 529 CD ARG A 30 4.881 9.680 -6.109 1.00 0.00 C ATOM 530 NE ARG A 30 4.682 8.379 -6.745 1.00 0.00 N ATOM 531 CZ ARG A 30 5.651 7.692 -7.347 1.00 0.00 C ATOM 532 NH1 ARG A 30 6.885 8.176 -7.398 1.00 0.00 N ATOM 533 NH2 ARG A 30 5.384 6.516 -7.898 1.00 0.00 N ATOM 0 H ARG A 30 2.950 11.622 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 30 3.239 13.307 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.850 10.328 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.520 11.451 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.493 10.514 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.403 11.681 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.818 9.671 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.083 9.857 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 30 3.746 7.974 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.096 9.080 -6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.623 7.645 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.437 6.138 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.125 5.989 -8.359 1.00 0.00 H new ATOM 547 N ARG A 31 0.704 12.353 -5.714 1.00 0.00 N ATOM 548 CA ARG A 31 -0.755 12.312 -5.685 1.00 0.00 C ATOM 549 C ARG A 31 -1.341 13.474 -6.475 1.00 0.00 C ATOM 550 O ARG A 31 -2.453 13.387 -6.995 1.00 0.00 O ATOM 551 CB ARG A 31 -1.262 12.358 -4.245 1.00 0.00 C ATOM 552 CG ARG A 31 -2.477 11.477 -4.000 1.00 0.00 C ATOM 553 CD ARG A 31 -3.246 11.918 -2.764 1.00 0.00 C ATOM 554 NE ARG A 31 -3.824 10.785 -2.044 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.697 10.909 -1.048 1.00 0.00 C ATOM 556 NH1 ARG A 31 -5.094 12.111 -0.650 1.00 0.00 N ATOM 557 NH2 ARG A 31 -5.175 9.827 -0.447 1.00 0.00 N ATOM 0 H ARG A 31 1.144 12.411 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.076 11.377 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.459 12.050 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.512 13.388 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.133 11.511 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.159 10.441 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.579 12.468 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.040 12.604 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.542 9.845 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.730 12.946 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.764 12.200 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.873 8.901 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.844 9.922 0.317 1.00 0.00 H new ATOM 571 N GLN A 32 -0.579 14.556 -6.570 1.00 0.00 N ATOM 572 CA GLN A 32 -1.018 15.731 -7.311 1.00 0.00 C ATOM 573 C GLN A 32 -0.732 15.549 -8.796 1.00 0.00 C ATOM 574 O GLN A 32 -1.349 16.192 -9.645 1.00 0.00 O ATOM 575 CB GLN A 32 -0.319 16.987 -6.789 1.00 0.00 C ATOM 576 CG GLN A 32 1.197 16.923 -6.881 1.00 0.00 C ATOM 577 CD GLN A 32 1.880 17.330 -5.590 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.310 18.056 -4.775 1.00 0.00 O ATOM 579 NE2 GLN A 32 3.107 16.862 -5.397 1.00 0.00 N ATOM 0 H GLN A 32 0.344 14.644 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.092 15.850 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.673 17.850 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.605 17.146 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.498 15.909 -7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.536 17.574 -7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.541 16.263 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.616 17.101 -4.546 1.00 0.00 H new ATOM 588 N GLN A 33 0.200 14.651 -9.096 1.00 0.00 N ATOM 589 CA GLN A 33 0.568 14.354 -10.469 1.00 0.00 C ATOM 590 C GLN A 33 -0.337 13.263 -11.012 1.00 0.00 C ATOM 591 O GLN A 33 -0.750 13.293 -12.171 1.00 0.00 O ATOM 592 CB GLN A 33 2.028 13.912 -10.530 1.00 0.00 C ATOM 593 CG GLN A 33 2.793 14.524 -11.685 1.00 0.00 C ATOM 594 CD GLN A 33 2.159 14.227 -13.031 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.141 15.079 -13.921 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.634 13.016 -13.190 1.00 0.00 N ATOM 0 H GLN A 33 0.716 14.114 -8.399 1.00 0.00 H new ATOM 0 HA GLN A 33 0.449 15.249 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.520 14.180 -9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.068 12.826 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.851 15.604 -11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.816 14.147 -11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.670 12.340 -12.427 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.195 12.763 -14.075 1.00 0.00 H new ATOM 605 N LEU A 34 -0.653 12.310 -10.148 1.00 0.00 N ATOM 606 CA LEU A 34 -1.525 11.209 -10.502 1.00 0.00 C ATOM 607 C LEU A 34 -2.922 11.735 -10.791 1.00 0.00 C ATOM 608 O LEU A 34 -3.520 11.420 -11.817 1.00 0.00 O ATOM 609 CB LEU A 34 -1.570 10.200 -9.359 1.00 0.00 C ATOM 610 CG LEU A 34 -1.312 8.755 -9.762 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.325 7.870 -8.527 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.347 8.296 -10.778 1.00 0.00 C ATOM 0 H LEU A 34 -0.312 12.281 -9.187 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.140 10.715 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.832 10.489 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.548 10.259 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.331 8.681 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.140 6.836 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.547 8.197 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.297 7.941 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.149 7.261 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.343 8.371 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.291 8.927 -11.665 1.00 0.00 H new ATOM 624 N SER A 35 -3.426 12.554 -9.877 1.00 0.00 N ATOM 625 CA SER A 35 -4.746 13.151 -10.021 1.00 0.00 C ATOM 626 C SER A 35 -4.929 13.752 -11.415 1.00 0.00 C ATOM 627 O SER A 35 -6.049 13.850 -11.915 1.00 0.00 O ATOM 628 CB SER A 35 -4.941 14.225 -8.949 1.00 0.00 C ATOM 629 OG SER A 35 -6.131 14.002 -8.214 1.00 0.00 O ATOM 0 H SER A 35 -2.936 12.821 -9.023 1.00 0.00 H new ATOM 0 HA SER A 35 -5.497 12.371 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.087 14.227 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.978 15.208 -9.418 1.00 0.00 H new ATOM 0 HG SER A 35 -6.232 14.701 -7.534 1.00 0.00 H new ATOM 635 N SER A 36 -3.821 14.154 -12.038 1.00 0.00 N ATOM 636 CA SER A 36 -3.867 14.742 -13.373 1.00 0.00 C ATOM 637 C SER A 36 -3.616 13.693 -14.460 1.00 0.00 C ATOM 638 O SER A 36 -3.828 13.954 -15.644 1.00 0.00 O ATOM 639 CB SER A 36 -2.835 15.867 -13.487 1.00 0.00 C ATOM 640 OG SER A 36 -3.399 17.017 -14.094 1.00 0.00 O ATOM 0 H SER A 36 -2.885 14.083 -11.640 1.00 0.00 H new ATOM 0 HA SER A 36 -4.867 15.148 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.460 16.122 -12.496 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.982 15.524 -14.073 1.00 0.00 H new ATOM 0 HG SER A 36 -2.720 17.722 -14.154 1.00 0.00 H new ATOM 646 N GLU A 37 -3.162 12.508 -14.054 1.00 0.00 N ATOM 647 CA GLU A 37 -2.886 11.430 -14.998 1.00 0.00 C ATOM 648 C GLU A 37 -4.179 10.764 -15.459 1.00 0.00 C ATOM 649 O GLU A 37 -4.516 10.800 -16.643 1.00 0.00 O ATOM 650 CB GLU A 37 -1.963 10.390 -14.358 1.00 0.00 C ATOM 651 CG GLU A 37 -1.550 9.277 -15.308 1.00 0.00 C ATOM 652 CD GLU A 37 -0.444 9.699 -16.255 1.00 0.00 C ATOM 653 OE1 GLU A 37 -0.291 10.918 -16.484 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.271 8.811 -16.766 1.00 0.00 O ATOM 0 H GLU A 37 -2.978 12.272 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.391 11.860 -15.869 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.068 10.890 -13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.465 9.952 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.218 8.415 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.417 8.958 -15.887 1.00 0.00 H new ATOM 661 N LEU A 38 -4.903 10.164 -14.519 1.00 0.00 N ATOM 662 CA LEU A 38 -6.166 9.502 -14.845 1.00 0.00 C ATOM 663 C LEU A 38 -7.217 10.535 -15.227 1.00 0.00 C ATOM 664 O LEU A 38 -7.915 10.393 -16.231 1.00 0.00 O ATOM 665 CB LEU A 38 -6.702 8.658 -13.676 1.00 0.00 C ATOM 666 CG LEU A 38 -5.677 8.163 -12.648 1.00 0.00 C ATOM 667 CD1 LEU A 38 -4.436 7.613 -13.323 1.00 0.00 C ATOM 668 CD2 LEU A 38 -5.312 9.269 -11.675 1.00 0.00 C ATOM 0 H LEU A 38 -4.642 10.121 -13.534 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.965 8.835 -15.683 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.453 9.247 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.212 7.789 -14.091 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.138 7.350 -12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.731 7.271 -12.565 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.712 6.777 -13.966 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.972 8.395 -13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.584 8.895 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.883 10.108 -12.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.207 9.599 -11.147 1.00 0.00 H new ATOM 680 N GLY A 39 -7.325 11.574 -14.407 1.00 0.00 N ATOM 681 CA GLY A 39 -8.295 12.622 -14.654 1.00 0.00 C ATOM 682 C GLY A 39 -9.219 12.849 -13.471 1.00 0.00 C ATOM 683 O GLY A 39 -10.130 13.674 -13.539 1.00 0.00 O ATOM 0 H GLY A 39 -6.755 11.709 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.772 13.550 -14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.889 12.364 -15.531 1.00 0.00 H new ATOM 687 N LEU A 40 -8.988 12.116 -12.380 1.00 0.00 N ATOM 688 CA LEU A 40 -9.814 12.251 -11.186 1.00 0.00 C ATOM 689 C LEU A 40 -9.110 13.078 -10.112 1.00 0.00 C ATOM 690 O LEU A 40 -8.127 13.767 -10.383 1.00 0.00 O ATOM 691 CB LEU A 40 -10.212 10.876 -10.626 1.00 0.00 C ATOM 692 CG LEU A 40 -9.394 9.678 -11.098 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.002 9.693 -10.484 1.00 0.00 C ATOM 694 CD2 LEU A 40 -10.121 8.409 -10.713 1.00 0.00 C ATOM 0 H LEU A 40 -8.239 11.428 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.722 12.778 -11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.151 10.922 -9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.257 10.695 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.280 9.727 -12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.439 8.829 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.485 10.607 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.083 9.655 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.546 7.545 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.239 8.372 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.103 8.395 -11.186 1.00 0.00 H new ATOM 706 N ASN A 41 -9.636 13.008 -8.896 1.00 0.00 N ATOM 707 CA ASN A 41 -9.083 13.752 -7.766 1.00 0.00 C ATOM 708 C ASN A 41 -8.498 12.812 -6.716 1.00 0.00 C ATOM 709 O ASN A 41 -8.732 11.605 -6.748 1.00 0.00 O ATOM 710 CB ASN A 41 -10.159 14.634 -7.131 1.00 0.00 C ATOM 711 CG ASN A 41 -9.573 15.756 -6.297 1.00 0.00 C ATOM 712 OD1 ASN A 41 -8.918 16.658 -6.819 1.00 0.00 O ATOM 713 ND2 ASN A 41 -9.806 15.701 -4.991 1.00 0.00 N ATOM 0 H ASN A 41 -10.451 12.440 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.279 14.383 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.786 15.058 -7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.805 14.019 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.436 16.426 -4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.355 14.934 -4.603 1.00 0.00 H new ATOM 720 N GLU A 42 -7.735 13.380 -5.785 1.00 0.00 N ATOM 721 CA GLU A 42 -7.104 12.605 -4.721 1.00 0.00 C ATOM 722 C GLU A 42 -8.122 11.750 -3.974 1.00 0.00 C ATOM 723 O GLU A 42 -7.785 10.695 -3.434 1.00 0.00 O ATOM 724 CB GLU A 42 -6.395 13.540 -3.739 1.00 0.00 C ATOM 725 CG GLU A 42 -5.255 14.327 -4.364 1.00 0.00 C ATOM 726 CD GLU A 42 -4.464 15.117 -3.339 1.00 0.00 C ATOM 727 OE1 GLU A 42 -4.991 15.348 -2.231 1.00 0.00 O ATOM 728 OE2 GLU A 42 -3.316 15.503 -3.645 1.00 0.00 O ATOM 0 H GLU A 42 -7.538 14.380 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.375 11.939 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.123 14.238 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.007 12.953 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.586 13.641 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.657 15.010 -5.113 1.00 0.00 H new ATOM 735 N ALA A 43 -9.367 12.211 -3.943 1.00 0.00 N ATOM 736 CA ALA A 43 -10.433 11.487 -3.256 1.00 0.00 C ATOM 737 C ALA A 43 -10.684 10.135 -3.911 1.00 0.00 C ATOM 738 O ALA A 43 -10.739 9.108 -3.239 1.00 0.00 O ATOM 739 CB ALA A 43 -11.711 12.308 -3.249 1.00 0.00 C ATOM 0 H ALA A 43 -9.664 13.081 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.116 11.316 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.496 11.755 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.534 13.252 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.021 12.507 -4.275 1.00 0.00 H new ATOM 745 N GLN A 44 -10.823 10.150 -5.228 1.00 0.00 N ATOM 746 CA GLN A 44 -11.055 8.933 -5.994 1.00 0.00 C ATOM 747 C GLN A 44 -9.731 8.282 -6.360 1.00 0.00 C ATOM 748 O GLN A 44 -9.680 7.109 -6.731 1.00 0.00 O ATOM 749 CB GLN A 44 -11.869 9.228 -7.254 1.00 0.00 C ATOM 750 CG GLN A 44 -13.163 9.970 -6.968 1.00 0.00 C ATOM 751 CD GLN A 44 -13.114 11.434 -7.366 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.143 12.035 -7.674 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.921 12.021 -7.362 1.00 0.00 N ATOM 0 H GLN A 44 -10.779 10.998 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.627 8.243 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.263 9.819 -7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.099 8.290 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.979 9.482 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.389 9.897 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.091 11.488 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.835 13.004 -7.620 1.00 0.00 H new ATOM 762 N ILE A 45 -8.649 9.042 -6.220 1.00 0.00 N ATOM 763 CA ILE A 45 -7.323 8.534 -6.496 1.00 0.00 C ATOM 764 C ILE A 45 -7.055 7.359 -5.581 1.00 0.00 C ATOM 765 O ILE A 45 -6.829 6.240 -6.036 1.00 0.00 O ATOM 766 CB ILE A 45 -6.270 9.637 -6.276 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.271 10.612 -7.456 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.891 9.040 -6.076 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.374 10.189 -8.597 1.00 0.00 C ATOM 0 H ILE A 45 -8.672 10.015 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.261 8.212 -7.536 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.531 10.185 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.290 10.718 -7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.957 11.594 -7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.167 9.840 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.900 8.387 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.613 8.463 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.427 10.929 -9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.346 10.111 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.701 9.221 -8.977 1.00 0.00 H new ATOM 781 N LYS A 46 -7.132 7.623 -4.285 1.00 0.00 N ATOM 782 CA LYS A 46 -6.942 6.587 -3.283 1.00 0.00 C ATOM 783 C LYS A 46 -7.942 5.453 -3.504 1.00 0.00 C ATOM 784 O LYS A 46 -7.774 4.349 -2.985 1.00 0.00 O ATOM 785 CB LYS A 46 -7.118 7.168 -1.878 1.00 0.00 C ATOM 786 CG LYS A 46 -8.350 8.046 -1.733 1.00 0.00 C ATOM 787 CD LYS A 46 -9.039 7.823 -0.396 1.00 0.00 C ATOM 788 CE LYS A 46 -9.985 8.964 -0.056 1.00 0.00 C ATOM 789 NZ LYS A 46 -9.688 9.551 1.280 1.00 0.00 N ATOM 0 H LYS A 46 -7.325 8.549 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.930 6.193 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.179 6.350 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.234 7.752 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.064 9.094 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.047 7.833 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.594 6.885 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.289 7.726 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.908 9.739 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.013 8.601 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.354 10.325 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.786 8.818 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.716 9.920 1.289 1.00 0.00 H new ATOM 803 N ILE A 47 -9.000 5.750 -4.262 1.00 0.00 N ATOM 804 CA ILE A 47 -10.054 4.783 -4.538 1.00 0.00 C ATOM 805 C ILE A 47 -9.693 3.775 -5.630 1.00 0.00 C ATOM 806 O ILE A 47 -9.922 2.579 -5.459 1.00 0.00 O ATOM 807 CB ILE A 47 -11.357 5.514 -4.934 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.272 5.647 -3.723 1.00 0.00 C ATOM 809 CG2 ILE A 47 -12.072 4.818 -6.086 1.00 0.00 C ATOM 810 CD1 ILE A 47 -11.790 6.690 -2.745 1.00 0.00 C ATOM 0 H ILE A 47 -9.146 6.661 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.192 4.219 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.089 6.511 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.277 5.905 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.342 4.684 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.982 5.364 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.418 4.791 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.328 3.800 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.478 6.744 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.797 6.421 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.746 7.660 -3.240 1.00 0.00 H new ATOM 822 N TRP A 48 -9.183 4.238 -6.768 1.00 0.00 N ATOM 823 CA TRP A 48 -8.884 3.307 -7.849 1.00 0.00 C ATOM 824 C TRP A 48 -7.796 2.309 -7.465 1.00 0.00 C ATOM 825 O TRP A 48 -7.775 1.192 -7.985 1.00 0.00 O ATOM 826 CB TRP A 48 -8.571 4.010 -9.176 1.00 0.00 C ATOM 827 CG TRP A 48 -7.666 5.197 -9.098 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.020 6.502 -8.953 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.249 5.183 -9.220 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.902 7.295 -8.985 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.800 6.503 -9.134 1.00 0.00 C ATOM 832 CE3 TRP A 48 -5.327 4.172 -9.385 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.454 6.833 -9.213 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.989 4.487 -9.465 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.561 5.812 -9.379 1.00 0.00 C ATOM 0 H TRP A 48 -8.974 5.217 -6.962 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.799 2.738 -8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.123 3.282 -9.852 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.512 4.326 -9.626 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.031 6.860 -8.831 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.895 8.312 -8.910 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.651 3.144 -9.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.125 7.859 -9.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.262 3.699 -9.596 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.506 6.035 -9.445 1.00 0.00 H new ATOM 846 N PHE A 49 -6.921 2.672 -6.529 1.00 0.00 N ATOM 847 CA PHE A 49 -5.892 1.727 -6.085 1.00 0.00 C ATOM 848 C PHE A 49 -6.563 0.570 -5.371 1.00 0.00 C ATOM 849 O PHE A 49 -6.345 -0.596 -5.702 1.00 0.00 O ATOM 850 CB PHE A 49 -4.880 2.345 -5.119 1.00 0.00 C ATOM 851 CG PHE A 49 -4.331 3.665 -5.529 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.293 3.756 -6.436 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.838 4.815 -4.978 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.779 4.984 -6.790 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.333 6.044 -5.320 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.302 6.135 -6.230 1.00 0.00 C ATOM 0 H PHE A 49 -6.899 3.584 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.353 1.408 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.354 2.455 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.051 1.649 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.881 2.857 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.646 4.752 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.970 5.048 -7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.743 6.939 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.904 7.101 -6.504 1.00 0.00 H new ATOM 866 N GLN A 50 -7.390 0.908 -4.379 1.00 0.00 N ATOM 867 CA GLN A 50 -8.102 -0.104 -3.609 1.00 0.00 C ATOM 868 C GLN A 50 -8.861 -1.041 -4.543 1.00 0.00 C ATOM 869 O GLN A 50 -9.104 -2.203 -4.216 1.00 0.00 O ATOM 870 CB GLN A 50 -9.057 0.548 -2.598 1.00 0.00 C ATOM 871 CG GLN A 50 -10.297 1.172 -3.218 1.00 0.00 C ATOM 872 CD GLN A 50 -11.555 0.885 -2.422 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.096 -0.221 -2.471 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.028 1.881 -1.682 1.00 0.00 N ATOM 0 H GLN A 50 -7.580 1.869 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.371 -0.688 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.367 -0.204 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.515 1.317 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.157 2.250 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.420 0.795 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.548 2.781 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.871 1.746 -1.124 1.00 0.00 H new ATOM 883 N ASN A 51 -9.215 -0.528 -5.717 1.00 0.00 N ATOM 884 CA ASN A 51 -9.923 -1.313 -6.714 1.00 0.00 C ATOM 885 C ASN A 51 -8.928 -2.066 -7.588 1.00 0.00 C ATOM 886 O ASN A 51 -9.218 -3.155 -8.083 1.00 0.00 O ATOM 887 CB ASN A 51 -10.806 -0.410 -7.579 1.00 0.00 C ATOM 888 CG ASN A 51 -12.250 -0.401 -7.118 1.00 0.00 C ATOM 889 OD1 ASN A 51 -13.104 -1.074 -7.696 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.532 0.366 -6.071 1.00 0.00 N ATOM 0 H ASN A 51 -9.021 0.433 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.561 -2.033 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.414 0.607 -7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.760 -0.746 -8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.487 0.414 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.793 0.907 -5.622 1.00 0.00 H new ATOM 897 N LYS A 52 -7.744 -1.480 -7.768 1.00 0.00 N ATOM 898 CA LYS A 52 -6.701 -2.100 -8.576 1.00 0.00 C ATOM 899 C LYS A 52 -6.108 -3.308 -7.858 1.00 0.00 C ATOM 900 O LYS A 52 -5.634 -4.249 -8.495 1.00 0.00 O ATOM 901 CB LYS A 52 -5.600 -1.084 -8.888 1.00 0.00 C ATOM 902 CG LYS A 52 -5.051 -1.195 -10.301 1.00 0.00 C ATOM 903 CD LYS A 52 -4.794 0.176 -10.911 1.00 0.00 C ATOM 904 CE LYS A 52 -3.431 0.243 -11.582 1.00 0.00 C ATOM 905 NZ LYS A 52 -2.489 1.125 -10.839 1.00 0.00 N ATOM 0 H LYS A 52 -7.486 -0.579 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.148 -2.438 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.992 -0.078 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.783 -1.217 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.124 -1.768 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.756 -1.745 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.571 0.402 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.856 0.938 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.011 -0.760 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.546 0.612 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.572 1.144 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.878 2.089 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.359 0.759 -9.874 1.00 0.00 H new ATOM 919 N ARG A 53 -6.138 -3.275 -6.527 1.00 0.00 N ATOM 920 CA ARG A 53 -5.604 -4.368 -5.722 1.00 0.00 C ATOM 921 C ARG A 53 -6.676 -5.417 -5.442 1.00 0.00 C ATOM 922 O ARG A 53 -6.374 -6.598 -5.272 1.00 0.00 O ATOM 923 CB ARG A 53 -5.045 -3.832 -4.403 1.00 0.00 C ATOM 924 CG ARG A 53 -3.677 -3.181 -4.540 1.00 0.00 C ATOM 925 CD ARG A 53 -2.779 -3.507 -3.358 1.00 0.00 C ATOM 926 NE ARG A 53 -2.576 -2.351 -2.487 1.00 0.00 N ATOM 927 CZ ARG A 53 -3.450 -1.953 -1.565 1.00 0.00 C ATOM 928 NH1 ARG A 53 -4.588 -2.612 -1.391 1.00 0.00 N ATOM 929 NH2 ARG A 53 -3.184 -0.892 -0.815 1.00 0.00 N ATOM 0 H ARG A 53 -6.526 -2.503 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.800 -4.839 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.744 -3.105 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.978 -4.651 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.203 -3.520 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.795 -2.100 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.219 -4.321 -2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.814 -3.860 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.713 -1.817 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.797 -3.429 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.254 -2.302 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.310 -0.382 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.853 -0.586 -0.108 1.00 0.00 H new ATOM 943 N ALA A 54 -7.931 -4.979 -5.393 1.00 0.00 N ATOM 944 CA ALA A 54 -9.046 -5.880 -5.130 1.00 0.00 C ATOM 945 C ALA A 54 -9.394 -6.714 -6.362 1.00 0.00 C ATOM 946 O ALA A 54 -10.101 -7.717 -6.261 1.00 0.00 O ATOM 947 CB ALA A 54 -10.263 -5.092 -4.667 1.00 0.00 C ATOM 0 H ALA A 54 -8.200 -4.005 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.742 -6.565 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.088 -5.777 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.020 -4.551 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.554 -4.383 -5.442 1.00 0.00 H new ATOM 953 N LYS A 55 -8.898 -6.296 -7.523 1.00 0.00 N ATOM 954 CA LYS A 55 -9.163 -7.011 -8.766 1.00 0.00 C ATOM 955 C LYS A 55 -7.978 -7.890 -9.157 1.00 0.00 C ATOM 956 O LYS A 55 -7.785 -8.196 -10.334 1.00 0.00 O ATOM 957 CB LYS A 55 -9.472 -6.022 -9.891 1.00 0.00 C ATOM 958 CG LYS A 55 -10.810 -5.316 -9.731 1.00 0.00 C ATOM 959 CD LYS A 55 -11.580 -5.273 -11.041 1.00 0.00 C ATOM 960 CE LYS A 55 -12.552 -4.105 -11.077 1.00 0.00 C ATOM 961 NZ LYS A 55 -13.890 -4.479 -10.543 1.00 0.00 N ATOM 0 H LYS A 55 -8.312 -5.468 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.029 -7.654 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.679 -5.275 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.462 -6.553 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.405 -5.829 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.645 -4.300 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.881 -5.192 -11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.126 -6.207 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.147 -3.278 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.657 -3.751 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.523 -3.655 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.288 -5.251 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.795 -4.792 -9.556 1.00 0.00 H new ATOM 975 N ILE A 56 -7.190 -8.292 -8.166 1.00 0.00 N ATOM 976 CA ILE A 56 -6.027 -9.136 -8.412 1.00 0.00 C ATOM 977 C ILE A 56 -5.876 -10.191 -7.322 1.00 0.00 C ATOM 978 O ILE A 56 -4.772 -10.465 -6.849 1.00 0.00 O ATOM 979 CB ILE A 56 -4.735 -8.300 -8.500 1.00 0.00 C ATOM 980 CG1 ILE A 56 -3.555 -9.180 -8.917 1.00 0.00 C ATOM 981 CG2 ILE A 56 -4.454 -7.618 -7.168 1.00 0.00 C ATOM 982 CD1 ILE A 56 -2.502 -8.442 -9.716 1.00 0.00 C ATOM 0 H ILE A 56 -7.335 -8.047 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.188 -9.633 -9.369 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.870 -7.529 -9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.093 -9.601 -8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.927 -10.017 -9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.539 -7.031 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.286 -6.961 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.336 -8.373 -6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.696 -9.128 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.949 -8.044 -10.627 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.102 -7.622 -9.120 1.00 0.00 H new ATOM 994 N ARG A 57 -6.997 -10.778 -6.932 1.00 0.00 N ATOM 995 CA ARG A 57 -7.007 -11.807 -5.899 1.00 0.00 C ATOM 996 C ARG A 57 -8.120 -12.818 -6.151 1.00 0.00 C ATOM 997 O ARG A 57 -7.902 -14.027 -6.083 1.00 0.00 O ATOM 998 CB ARG A 57 -7.183 -11.172 -4.518 1.00 0.00 C ATOM 999 CG ARG A 57 -5.926 -10.495 -3.994 1.00 0.00 C ATOM 1000 CD ARG A 57 -5.577 -10.960 -2.588 1.00 0.00 C ATOM 1001 NE ARG A 57 -4.337 -11.732 -2.559 1.00 0.00 N ATOM 1002 CZ ARG A 57 -3.768 -12.180 -1.441 1.00 0.00 C ATOM 1003 NH1 ARG A 57 -4.326 -11.936 -0.261 1.00 0.00 N ATOM 1004 NH2 ARG A 57 -2.640 -12.873 -1.504 1.00 0.00 N ATOM 0 H ARG A 57 -7.916 -10.559 -7.316 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.051 -12.329 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.988 -10.439 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.493 -11.941 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.093 -10.707 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.068 -9.414 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.480 -10.094 -1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.392 -11.568 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.880 -11.940 -3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.194 -11.403 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.886 -12.281 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.208 -13.063 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.204 -13.216 -0.648 1.00 0.00 H new ATOM 1018 N ARG A 58 -9.314 -12.313 -6.444 1.00 0.00 N ATOM 1019 CA ARG A 58 -10.463 -13.169 -6.708 1.00 0.00 C ATOM 1020 C ARG A 58 -10.214 -14.054 -7.926 1.00 0.00 C ATOM 1021 O ARG A 58 -10.059 -15.269 -7.803 1.00 0.00 O ATOM 1022 CB ARG A 58 -11.718 -12.318 -6.923 1.00 0.00 C ATOM 1023 CG ARG A 58 -12.871 -12.690 -6.004 1.00 0.00 C ATOM 1024 CD ARG A 58 -12.510 -12.481 -4.542 1.00 0.00 C ATOM 1025 NE ARG A 58 -13.320 -11.433 -3.924 1.00 0.00 N ATOM 1026 CZ ARG A 58 -13.459 -11.284 -2.608 1.00 0.00 C ATOM 1027 NH1 ARG A 58 -12.846 -12.110 -1.770 1.00 0.00 N ATOM 1028 NH2 ARG A 58 -14.214 -10.304 -2.129 1.00 0.00 N ATOM 0 H ARG A 58 -9.510 -11.314 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.614 -13.813 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.466 -11.269 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.043 -12.419 -7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.745 -12.088 -6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.145 -13.732 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.648 -13.415 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.455 -12.218 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.807 -10.778 -4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.264 -12.865 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.957 -11.990 -0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.687 -9.666 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.321 -10.189 -1.121 1.00 0.00 H new ATOM 1042 N SER A 59 -10.177 -13.435 -9.102 1.00 0.00 N ATOM 1043 CA SER A 59 -9.947 -14.165 -10.343 1.00 0.00 C ATOM 1044 C SER A 59 -8.637 -13.732 -10.993 1.00 0.00 C ATOM 1045 O SER A 59 -8.135 -12.643 -10.644 1.00 0.00 O ATOM 1046 CB SER A 59 -11.108 -13.942 -11.314 1.00 0.00 C ATOM 1047 OG SER A 59 -10.792 -14.426 -12.608 1.00 0.00 O ATOM 1048 OXT SER A 59 -8.121 -14.487 -11.846 1.00 0.00 O ATOM 0 H SER A 59 -10.303 -12.430 -9.221 1.00 0.00 H new ATOM 0 HA SER A 59 -9.881 -15.226 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.000 -14.447 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.342 -12.879 -11.367 1.00 0.00 H new ATOM 0 HG SER A 59 -11.551 -14.273 -13.209 1.00 0.00 H new TER 1054 SER A 59