USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -71:sc= 1.18 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.21 K(o=2.4,f=0.81!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0.326 (180deg=0.325) USER MOD Single : A 9 GLN : amide:sc= 0.322 K(o=0.32,f=-0.26) USER MOD Single : A 18 HIS : no HD1:sc= 0.0683 K(o=0.068,f=-0.75) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 22 THR OG1 : rot -45:sc= 1.18 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.98) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0.404 (180deg=0.273) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0.474 (180deg=0.474) USER MOD Single : A 60 SER OG : rot 40:sc= 0.602 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.542 -2.088 -19.330 1.00 0.00 N ATOM 2 CA MET A 1 -9.750 -1.534 -18.207 1.00 0.00 C ATOM 3 C MET A 1 -9.396 -2.586 -17.110 1.00 0.00 C ATOM 4 O MET A 1 -10.211 -3.440 -16.744 1.00 0.00 O ATOM 5 CB MET A 1 -10.417 -0.263 -17.619 1.00 0.00 C ATOM 6 CG MET A 1 -11.766 -0.437 -16.907 1.00 0.00 C ATOM 7 SD MET A 1 -12.211 1.102 -16.077 1.00 0.00 S ATOM 8 CE MET A 1 -11.448 0.834 -14.466 1.00 0.00 C ATOM 0 H1 MET A 1 -10.740 -1.335 -20.020 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.004 -2.848 -19.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.439 -2.470 -18.967 1.00 0.00 H new ATOM 0 HA MET A 1 -8.790 -1.236 -18.629 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.719 0.187 -16.913 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.554 0.451 -18.431 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.537 -0.710 -17.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.705 -1.249 -16.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.631 1.699 -13.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.877 -0.055 -14.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.374 0.696 -14.591 1.00 0.00 H new ATOM 19 N LYS A 2 -8.191 -2.476 -16.530 1.00 0.00 N ATOM 20 CA LYS A 2 -7.805 -3.276 -15.335 1.00 0.00 C ATOM 21 C LYS A 2 -8.386 -2.673 -14.013 1.00 0.00 C ATOM 22 O LYS A 2 -7.896 -1.667 -13.492 1.00 0.00 O ATOM 23 CB LYS A 2 -6.279 -3.535 -15.337 1.00 0.00 C ATOM 24 CG LYS A 2 -5.322 -2.336 -15.236 1.00 0.00 C ATOM 25 CD LYS A 2 -3.854 -2.799 -15.144 1.00 0.00 C ATOM 26 CE LYS A 2 -2.901 -1.606 -15.017 1.00 0.00 C ATOM 27 NZ LYS A 2 -1.500 -2.069 -14.966 1.00 0.00 N ATOM 0 H LYS A 2 -7.461 -1.845 -16.861 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.269 -4.261 -15.388 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.057 -4.205 -14.506 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.037 -4.073 -16.253 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.449 -1.692 -16.106 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.573 -1.740 -14.359 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.732 -3.458 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.597 -3.380 -16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.037 -0.932 -15.863 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.136 -1.039 -14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.868 -1.252 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.379 -2.721 -14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.265 -2.561 -15.851 1.00 0.00 H new ATOM 40 N ALA A 3 -9.469 -3.274 -13.504 1.00 0.00 N ATOM 41 CA ALA A 3 -10.219 -2.737 -12.342 1.00 0.00 C ATOM 42 C ALA A 3 -9.785 -3.351 -10.974 1.00 0.00 C ATOM 43 O ALA A 3 -9.867 -4.565 -10.765 1.00 0.00 O ATOM 44 CB ALA A 3 -11.704 -3.017 -12.638 1.00 0.00 C ATOM 0 H ALA A 3 -9.855 -4.141 -13.877 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.014 -1.672 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.315 -2.644 -11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.992 -2.515 -13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.857 -4.091 -12.746 1.00 0.00 H new ATOM 50 N LEU A 4 -9.346 -2.498 -10.040 1.00 0.00 N ATOM 51 CA LEU A 4 -8.953 -2.924 -8.667 1.00 0.00 C ATOM 52 C LEU A 4 -10.125 -2.932 -7.635 1.00 0.00 C ATOM 53 O LEU A 4 -11.124 -2.221 -7.776 1.00 0.00 O ATOM 54 CB LEU A 4 -7.692 -2.130 -8.235 1.00 0.00 C ATOM 55 CG LEU A 4 -7.747 -0.599 -8.089 1.00 0.00 C ATOM 56 CD1 LEU A 4 -8.407 -0.146 -6.788 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.311 -0.035 -8.112 1.00 0.00 C ATOM 0 H LEU A 4 -9.249 -1.496 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.685 -3.980 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.370 -2.534 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.906 -2.357 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.346 -0.226 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.415 0.943 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.431 -0.519 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.847 -0.539 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.344 1.050 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.740 -0.461 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.833 -0.295 -9.056 1.00 0.00 H new ATOM 69 N THR A 5 -9.997 -3.749 -6.579 1.00 0.00 N ATOM 70 CA THR A 5 -11.056 -3.896 -5.539 1.00 0.00 C ATOM 71 C THR A 5 -11.138 -2.696 -4.524 1.00 0.00 C ATOM 72 O THR A 5 -10.147 -2.017 -4.245 1.00 0.00 O ATOM 73 CB THR A 5 -10.903 -5.239 -4.738 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.702 -5.289 -3.972 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.949 -6.506 -5.585 1.00 0.00 C ATOM 0 H THR A 5 -9.172 -4.325 -6.412 1.00 0.00 H new ATOM 0 HA THR A 5 -11.988 -3.904 -6.104 1.00 0.00 H new ATOM 0 HB THR A 5 -11.780 -5.225 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.934 -5.379 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.835 -7.378 -4.941 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.905 -6.561 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.140 -6.485 -6.315 1.00 0.00 H new ATOM 83 N ALA A 6 -12.319 -2.477 -3.925 1.00 0.00 N ATOM 84 CA ALA A 6 -12.524 -1.397 -2.920 1.00 0.00 C ATOM 85 C ALA A 6 -11.634 -1.399 -1.626 1.00 0.00 C ATOM 86 O ALA A 6 -11.246 -0.323 -1.168 1.00 0.00 O ATOM 87 CB ALA A 6 -14.021 -1.411 -2.571 1.00 0.00 C ATOM 0 H ALA A 6 -13.155 -3.030 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.186 -0.474 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.230 -0.635 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.606 -1.224 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.290 -2.384 -2.160 1.00 0.00 H new ATOM 93 N ARG A 7 -11.289 -2.569 -1.063 1.00 0.00 N ATOM 94 CA ARG A 7 -10.313 -2.650 0.065 1.00 0.00 C ATOM 95 C ARG A 7 -8.812 -2.432 -0.324 1.00 0.00 C ATOM 96 O ARG A 7 -8.102 -1.757 0.427 1.00 0.00 O ATOM 97 CB ARG A 7 -10.576 -3.968 0.825 1.00 0.00 C ATOM 98 CG ARG A 7 -9.942 -4.080 2.227 1.00 0.00 C ATOM 99 CD ARG A 7 -10.470 -3.053 3.236 1.00 0.00 C ATOM 100 NE ARG A 7 -9.975 -3.403 4.584 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.144 -2.673 5.676 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.775 -1.536 5.716 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.647 -3.119 6.776 1.00 0.00 N ATOM 0 H ARG A 7 -11.661 -3.471 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.487 -1.799 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.654 -4.098 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.210 -4.794 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.122 -5.082 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.862 -3.962 2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.139 -2.051 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.560 -3.042 3.226 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.461 -4.279 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.182 -1.148 4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.863 -1.032 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.144 -4.006 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.756 -2.585 7.638 1.00 0.00 H new ATOM 116 N GLN A 8 -8.329 -2.923 -1.484 1.00 0.00 N ATOM 117 CA GLN A 8 -7.022 -2.459 -2.043 1.00 0.00 C ATOM 118 C GLN A 8 -6.960 -0.960 -2.507 1.00 0.00 C ATOM 119 O GLN A 8 -5.904 -0.351 -2.362 1.00 0.00 O ATOM 120 CB GLN A 8 -6.459 -3.479 -3.059 1.00 0.00 C ATOM 121 CG GLN A 8 -6.984 -3.399 -4.497 1.00 0.00 C ATOM 122 CD GLN A 8 -6.671 -4.603 -5.367 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.526 -5.446 -5.615 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.483 -4.712 -5.901 1.00 0.00 N ATOM 0 H GLN A 8 -8.805 -3.626 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.335 -2.436 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.376 -3.364 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.663 -4.481 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.065 -3.265 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.567 -2.510 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.767 -4.014 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.272 -5.495 -6.520 1.00 0.00 H new ATOM 133 N GLN A 9 -8.064 -0.345 -2.974 1.00 0.00 N ATOM 134 CA GLN A 9 -8.191 1.144 -3.071 1.00 0.00 C ATOM 135 C GLN A 9 -7.908 1.926 -1.738 1.00 0.00 C ATOM 136 O GLN A 9 -7.127 2.877 -1.767 1.00 0.00 O ATOM 137 CB GLN A 9 -9.593 1.462 -3.647 1.00 0.00 C ATOM 138 CG GLN A 9 -9.859 2.931 -4.042 1.00 0.00 C ATOM 139 CD GLN A 9 -9.185 3.413 -5.313 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.639 3.163 -6.422 1.00 0.00 O ATOM 141 NE2 GLN A 9 -8.100 4.137 -5.224 1.00 0.00 N ATOM 0 H GLN A 9 -8.891 -0.849 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.405 1.502 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.750 0.838 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.340 1.166 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.935 3.067 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.538 3.571 -3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.707 4.356 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.647 4.483 -6.070 1.00 0.00 H new ATOM 150 N GLU A 10 -8.476 1.506 -0.595 1.00 0.00 N ATOM 151 CA GLU A 10 -8.077 2.017 0.746 1.00 0.00 C ATOM 152 C GLU A 10 -6.550 1.850 1.116 1.00 0.00 C ATOM 153 O GLU A 10 -5.932 2.817 1.566 1.00 0.00 O ATOM 154 CB GLU A 10 -8.949 1.359 1.850 1.00 0.00 C ATOM 155 CG GLU A 10 -10.454 1.679 1.785 1.00 0.00 C ATOM 156 CD GLU A 10 -11.220 1.136 2.981 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.753 0.032 3.013 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.244 2.013 4.021 1.00 0.00 O ATOM 0 H GLU A 10 -9.220 0.809 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.246 3.092 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.822 0.278 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.570 1.673 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.590 2.759 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.872 1.259 0.870 1.00 0.00 H new ATOM 166 N VAL A 11 -5.956 0.667 0.891 1.00 0.00 N ATOM 167 CA VAL A 11 -4.476 0.448 1.022 1.00 0.00 C ATOM 168 C VAL A 11 -3.617 1.349 0.052 1.00 0.00 C ATOM 169 O VAL A 11 -2.687 2.005 0.524 1.00 0.00 O ATOM 170 CB VAL A 11 -4.154 -1.082 0.905 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.646 -1.413 0.995 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.834 -1.924 2.016 1.00 0.00 C ATOM 0 H VAL A 11 -6.470 -0.170 0.614 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.174 0.780 2.016 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.539 -1.337 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.504 -2.490 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.114 -0.909 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.256 -1.074 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.576 -2.975 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.489 -1.584 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.916 -1.805 1.952 1.00 0.00 H new ATOM 182 N PHE A 12 -3.954 1.417 -1.248 1.00 0.00 N ATOM 183 CA PHE A 12 -3.374 2.404 -2.203 1.00 0.00 C ATOM 184 C PHE A 12 -3.482 3.912 -1.788 1.00 0.00 C ATOM 185 O PHE A 12 -2.473 4.617 -1.794 1.00 0.00 O ATOM 186 CB PHE A 12 -4.002 2.110 -3.594 1.00 0.00 C ATOM 187 CG PHE A 12 -3.419 2.943 -4.748 1.00 0.00 C ATOM 188 CD1 PHE A 12 -2.081 2.788 -5.149 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.197 3.929 -5.369 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.535 3.614 -6.134 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.652 4.748 -6.360 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.320 4.593 -6.736 1.00 0.00 C ATOM 0 H PHE A 12 -4.637 0.792 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.293 2.265 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.868 1.053 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.076 2.291 -3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.470 2.024 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.229 4.057 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.503 3.493 -6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.263 5.501 -6.835 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.896 5.233 -7.495 1.00 0.00 H new ATOM 202 N ASP A 13 -4.674 4.388 -1.410 1.00 0.00 N ATOM 203 CA ASP A 13 -4.866 5.763 -0.869 1.00 0.00 C ATOM 204 C ASP A 13 -4.078 6.104 0.451 1.00 0.00 C ATOM 205 O ASP A 13 -3.619 7.237 0.588 1.00 0.00 O ATOM 206 CB ASP A 13 -6.378 6.010 -0.675 1.00 0.00 C ATOM 207 CG ASP A 13 -7.281 6.055 -1.906 1.00 0.00 C ATOM 208 OD1 ASP A 13 -8.455 6.401 -1.848 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.662 5.660 -3.058 1.00 0.00 O ATOM 0 H ASP A 13 -5.535 3.845 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.435 6.436 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.758 5.229 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.493 6.957 -0.147 1.00 0.00 H new ATOM 215 N LEU A 14 -3.882 5.148 1.369 1.00 0.00 N ATOM 216 CA LEU A 14 -2.968 5.315 2.539 1.00 0.00 C ATOM 217 C LEU A 14 -1.449 5.435 2.179 1.00 0.00 C ATOM 218 O LEU A 14 -0.789 6.326 2.717 1.00 0.00 O ATOM 219 CB LEU A 14 -3.305 4.168 3.521 1.00 0.00 C ATOM 220 CG LEU A 14 -2.904 4.381 4.998 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.701 3.383 5.855 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.422 4.158 5.286 1.00 0.00 C ATOM 0 H LEU A 14 -4.342 4.238 1.335 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.143 6.282 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.380 3.991 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.819 3.260 3.164 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.120 5.423 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.436 3.512 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.768 3.563 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.464 2.366 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.227 4.328 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.151 3.134 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.827 4.852 4.692 1.00 0.00 H new ATOM 234 N ILE A 15 -0.894 4.607 1.272 1.00 0.00 N ATOM 235 CA ILE A 15 0.460 4.870 0.669 1.00 0.00 C ATOM 236 C ILE A 15 0.607 6.199 -0.146 1.00 0.00 C ATOM 237 O ILE A 15 1.620 6.880 0.030 1.00 0.00 O ATOM 238 CB ILE A 15 1.050 3.583 -0.002 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.536 3.754 -0.426 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.231 3.053 -1.188 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.315 2.439 -0.491 1.00 0.00 C ATOM 0 H ILE A 15 -1.343 3.756 0.934 1.00 0.00 H new ATOM 0 HA ILE A 15 1.117 5.096 1.509 1.00 0.00 H new ATOM 0 HB ILE A 15 0.991 2.833 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.572 4.235 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.030 4.424 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.711 2.162 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.775 2.803 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.176 3.818 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.343 2.640 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.312 1.965 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.846 1.774 -1.217 1.00 0.00 H new ATOM 253 N ARG A 16 -0.392 6.622 -0.938 1.00 0.00 N ATOM 254 CA ARG A 16 -0.466 8.021 -1.454 1.00 0.00 C ATOM 255 C ARG A 16 -0.441 9.156 -0.349 1.00 0.00 C ATOM 256 O ARG A 16 0.359 10.092 -0.446 1.00 0.00 O ATOM 257 CB ARG A 16 -1.715 8.195 -2.358 1.00 0.00 C ATOM 258 CG ARG A 16 -1.649 7.433 -3.693 1.00 0.00 C ATOM 259 CD ARG A 16 -2.597 7.973 -4.768 1.00 0.00 C ATOM 260 NE ARG A 16 -4.033 7.780 -4.451 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.019 8.547 -4.903 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.856 9.599 -5.652 1.00 0.00 N ATOM 263 NH2 ARG A 16 -6.226 8.234 -4.580 1.00 0.00 N ATOM 0 H ARG A 16 -1.163 6.026 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 16 0.452 8.156 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.595 7.862 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.852 9.256 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.628 7.472 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.882 6.384 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.405 9.037 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.374 7.482 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.282 7.001 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.918 9.885 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.666 10.137 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.402 7.418 -3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.006 8.802 -4.910 1.00 0.00 H new ATOM 276 N ASP A 17 -1.285 9.028 0.683 1.00 0.00 N ATOM 277 CA ASP A 17 -1.333 9.957 1.839 1.00 0.00 C ATOM 278 C ASP A 17 -0.050 10.007 2.733 1.00 0.00 C ATOM 279 O ASP A 17 0.398 11.108 3.043 1.00 0.00 O ATOM 280 CB ASP A 17 -2.606 9.575 2.635 1.00 0.00 C ATOM 281 CG ASP A 17 -3.037 10.580 3.687 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.059 11.792 3.512 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.396 9.984 4.854 1.00 0.00 O ATOM 0 H ASP A 17 -1.965 8.270 0.747 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.370 10.981 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.427 9.435 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.436 8.614 3.121 1.00 0.00 H new ATOM 289 N HIS A 18 0.535 8.875 3.157 1.00 0.00 N ATOM 290 CA HIS A 18 1.791 8.881 3.970 1.00 0.00 C ATOM 291 C HIS A 18 3.098 9.349 3.236 1.00 0.00 C ATOM 292 O HIS A 18 3.912 10.029 3.866 1.00 0.00 O ATOM 293 CB HIS A 18 1.924 7.512 4.670 1.00 0.00 C ATOM 294 CG HIS A 18 2.785 7.557 5.947 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.380 8.242 7.087 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.064 6.999 6.141 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.490 8.050 7.870 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.532 7.309 7.397 1.00 0.00 N ATOM 0 H HIS A 18 0.171 7.943 2.959 1.00 0.00 H new ATOM 0 HA HIS A 18 1.686 9.672 4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.930 7.144 4.924 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.360 6.797 3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.600 6.413 5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.538 8.484 8.858 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.411 7.056 7.848 1.00 0.00 H new ATOM 306 N ILE A 19 3.251 9.089 1.924 1.00 0.00 N ATOM 307 CA ILE A 19 4.222 9.842 1.052 1.00 0.00 C ATOM 308 C ILE A 19 3.990 11.409 1.076 1.00 0.00 C ATOM 309 O ILE A 19 4.957 12.145 1.268 1.00 0.00 O ATOM 310 CB ILE A 19 4.183 9.243 -0.401 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.721 7.784 -0.502 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.868 10.104 -1.487 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.228 7.582 -0.359 1.00 0.00 C ATOM 0 H ILE A 19 2.724 8.369 1.429 1.00 0.00 H new ATOM 0 HA ILE A 19 5.225 9.709 1.458 1.00 0.00 H new ATOM 0 HB ILE A 19 3.113 9.241 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.226 7.188 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.416 7.378 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.787 9.604 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.381 11.078 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.920 10.238 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.463 6.522 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.745 8.136 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.553 7.944 0.617 1.00 0.00 H new ATOM 325 N SER A 20 2.749 11.904 0.913 1.00 0.00 N ATOM 326 CA SER A 20 2.441 13.355 1.075 1.00 0.00 C ATOM 327 C SER A 20 2.601 13.976 2.512 1.00 0.00 C ATOM 328 O SER A 20 2.949 15.153 2.610 1.00 0.00 O ATOM 329 CB SER A 20 1.009 13.605 0.543 1.00 0.00 C ATOM 330 OG SER A 20 0.734 15.004 0.448 1.00 0.00 O ATOM 0 H SER A 20 1.940 11.331 0.670 1.00 0.00 H new ATOM 0 HA SER A 20 3.209 13.873 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.895 13.141 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.284 13.133 1.205 1.00 0.00 H new ATOM 0 HG SER A 20 -0.176 15.136 0.108 1.00 0.00 H new ATOM 336 N GLN A 21 2.331 13.223 3.585 1.00 0.00 N ATOM 337 CA GLN A 21 2.621 13.654 4.978 1.00 0.00 C ATOM 338 C GLN A 21 4.149 13.673 5.386 1.00 0.00 C ATOM 339 O GLN A 21 4.546 14.553 6.150 1.00 0.00 O ATOM 340 CB GLN A 21 1.875 12.708 5.968 1.00 0.00 C ATOM 341 CG GLN A 21 0.336 12.817 5.970 1.00 0.00 C ATOM 342 CD GLN A 21 -0.332 11.777 6.860 1.00 0.00 C ATOM 343 OE1 GLN A 21 -0.608 11.992 8.033 1.00 0.00 O ATOM 344 NE2 GLN A 21 -0.620 10.609 6.348 1.00 0.00 N ATOM 0 H GLN A 21 1.906 12.298 3.523 1.00 0.00 H new ATOM 0 HA GLN A 21 2.279 14.688 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.147 11.679 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.236 12.911 6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.048 13.813 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.032 12.705 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.398 10.411 5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.067 9.896 6.924 1.00 0.00 H new ATOM 353 N THR A 22 4.942 12.683 4.951 1.00 0.00 N ATOM 354 CA THR A 22 6.311 12.440 5.485 1.00 0.00 C ATOM 355 C THR A 22 7.479 12.348 4.433 1.00 0.00 C ATOM 356 O THR A 22 8.634 12.526 4.826 1.00 0.00 O ATOM 357 CB THR A 22 6.357 11.129 6.355 1.00 0.00 C ATOM 358 OG1 THR A 22 6.064 9.959 5.596 1.00 0.00 O ATOM 359 CG2 THR A 22 5.440 11.124 7.573 1.00 0.00 C ATOM 0 H THR A 22 4.664 12.025 4.223 1.00 0.00 H new ATOM 0 HA THR A 22 6.494 13.341 6.071 1.00 0.00 H new ATOM 0 HB THR A 22 7.388 11.118 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.281 10.124 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.546 10.178 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.712 11.945 8.236 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.406 11.245 7.250 1.00 0.00 H new ATOM 367 N GLY A 23 7.220 11.990 3.166 1.00 0.00 N ATOM 368 CA GLY A 23 8.278 11.492 2.247 1.00 0.00 C ATOM 369 C GLY A 23 8.511 9.960 2.172 1.00 0.00 C ATOM 370 O GLY A 23 9.008 9.485 1.149 1.00 0.00 O ATOM 0 H GLY A 23 6.291 12.033 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.042 11.844 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.219 11.960 2.536 1.00 0.00 H new ATOM 374 N MET A 24 8.202 9.211 3.237 1.00 0.00 N ATOM 375 CA MET A 24 8.379 7.740 3.301 1.00 0.00 C ATOM 376 C MET A 24 7.037 6.925 3.203 1.00 0.00 C ATOM 377 O MET A 24 5.993 7.430 3.631 1.00 0.00 O ATOM 378 CB MET A 24 9.204 7.381 4.567 1.00 0.00 C ATOM 379 CG MET A 24 8.540 7.607 5.931 1.00 0.00 C ATOM 380 SD MET A 24 9.698 7.162 7.236 1.00 0.00 S ATOM 381 CE MET A 24 8.637 7.449 8.659 1.00 0.00 C ATOM 0 H MET A 24 7.816 9.607 4.094 1.00 0.00 H new ATOM 0 HA MET A 24 8.932 7.436 2.412 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.484 6.330 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.127 7.959 4.542 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.241 8.650 6.034 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.634 7.006 6.012 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.186 7.224 9.573 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.321 8.492 8.673 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.760 6.805 8.595 1.00 0.00 H new ATOM 391 N PRO A 25 7.003 5.669 2.682 1.00 0.00 N ATOM 392 CA PRO A 25 5.750 4.846 2.646 1.00 0.00 C ATOM 393 C PRO A 25 5.376 4.118 3.983 1.00 0.00 C ATOM 394 O PRO A 25 6.247 3.942 4.841 1.00 0.00 O ATOM 395 CB PRO A 25 6.075 3.849 1.504 1.00 0.00 C ATOM 396 CG PRO A 25 7.601 3.653 1.602 1.00 0.00 C ATOM 397 CD PRO A 25 8.123 5.050 1.949 1.00 0.00 C ATOM 0 HA PRO A 25 4.863 5.460 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.543 2.907 1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.786 4.248 0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.863 2.925 2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.020 3.291 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.024 5.000 2.561 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.377 5.617 1.053 1.00 0.00 H new ATOM 405 N PRO A 26 4.111 3.670 4.205 1.00 0.00 N ATOM 406 CA PRO A 26 3.687 3.041 5.494 1.00 0.00 C ATOM 407 C PRO A 26 4.020 1.529 5.634 1.00 0.00 C ATOM 408 O PRO A 26 3.905 0.740 4.691 1.00 0.00 O ATOM 409 CB PRO A 26 2.154 3.318 5.457 1.00 0.00 C ATOM 410 CG PRO A 26 1.790 3.201 3.960 1.00 0.00 C ATOM 411 CD PRO A 26 3.003 3.808 3.243 1.00 0.00 C ATOM 0 HA PRO A 26 4.214 3.447 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.603 2.596 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.917 4.307 5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.629 2.164 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.874 3.744 3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.218 3.282 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.829 4.853 2.986 1.00 0.00 H new ATOM 419 N THR A 27 4.386 1.127 6.852 1.00 0.00 N ATOM 420 CA THR A 27 4.607 -0.307 7.203 1.00 0.00 C ATOM 421 C THR A 27 3.277 -1.099 7.470 1.00 0.00 C ATOM 422 O THR A 27 2.225 -0.523 7.759 1.00 0.00 O ATOM 423 CB THR A 27 5.568 -0.433 8.438 1.00 0.00 C ATOM 424 OG1 THR A 27 5.202 0.430 9.513 1.00 0.00 O ATOM 425 CG2 THR A 27 7.024 -0.130 8.103 1.00 0.00 C ATOM 0 H THR A 27 4.541 1.769 7.629 1.00 0.00 H new ATOM 0 HA THR A 27 5.071 -0.763 6.328 1.00 0.00 H new ATOM 0 HB THR A 27 5.466 -1.476 8.736 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.830 0.311 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.633 -0.235 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.375 -0.827 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.106 0.890 7.726 1.00 0.00 H new ATOM 433 N ARG A 28 3.344 -2.440 7.407 1.00 0.00 N ATOM 434 CA ARG A 28 2.174 -3.338 7.644 1.00 0.00 C ATOM 435 C ARG A 28 1.351 -3.133 8.963 1.00 0.00 C ATOM 436 O ARG A 28 0.122 -3.110 8.899 1.00 0.00 O ATOM 437 CB ARG A 28 2.725 -4.779 7.504 1.00 0.00 C ATOM 438 CG ARG A 28 1.639 -5.860 7.380 1.00 0.00 C ATOM 439 CD ARG A 28 2.225 -7.276 7.295 1.00 0.00 C ATOM 440 NE ARG A 28 2.483 -7.824 8.646 1.00 0.00 N ATOM 441 CZ ARG A 28 2.837 -9.069 8.911 1.00 0.00 C ATOM 442 NH1 ARG A 28 3.017 -9.994 8.013 1.00 0.00 N ATOM 443 NH2 ARG A 28 3.017 -9.380 10.148 1.00 0.00 N ATOM 0 H ARG A 28 4.205 -2.943 7.191 1.00 0.00 H new ATOM 0 HA ARG A 28 1.410 -3.091 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.370 -4.826 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.348 -5.003 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.970 -5.798 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.037 -5.666 6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.535 -7.928 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.153 -7.256 6.723 1.00 0.00 H new ATOM 0 HE ARG A 28 2.379 -7.188 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.884 -9.778 7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.291 -10.934 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.886 -8.677 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.291 -10.330 10.400 1.00 0.00 H new ATOM 456 N ALA A 29 2.009 -2.950 10.119 1.00 0.00 N ATOM 457 CA ALA A 29 1.333 -2.506 11.366 1.00 0.00 C ATOM 458 C ALA A 29 0.639 -1.097 11.337 1.00 0.00 C ATOM 459 O ALA A 29 -0.457 -0.962 11.881 1.00 0.00 O ATOM 460 CB ALA A 29 2.380 -2.599 12.486 1.00 0.00 C ATOM 0 H ALA A 29 3.012 -3.101 10.224 1.00 0.00 H new ATOM 0 HA ALA A 29 0.480 -3.166 11.524 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.934 -2.283 13.429 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.726 -3.629 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.225 -1.952 12.249 1.00 0.00 H new ATOM 466 N GLU A 30 1.239 -0.089 10.687 1.00 0.00 N ATOM 467 CA GLU A 30 0.564 1.214 10.400 1.00 0.00 C ATOM 468 C GLU A 30 -0.684 1.133 9.457 1.00 0.00 C ATOM 469 O GLU A 30 -1.724 1.701 9.791 1.00 0.00 O ATOM 470 CB GLU A 30 1.672 2.152 9.866 1.00 0.00 C ATOM 471 CG GLU A 30 1.264 3.632 9.722 1.00 0.00 C ATOM 472 CD GLU A 30 2.422 4.554 9.367 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.486 4.177 8.881 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.140 5.851 9.663 1.00 0.00 O ATOM 0 H GLU A 30 2.198 -0.139 10.342 1.00 0.00 H new ATOM 0 HA GLU A 30 0.114 1.598 11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.531 2.092 10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.999 1.785 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.496 3.715 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.816 3.969 10.657 1.00 0.00 H new ATOM 482 N ILE A 31 -0.594 0.409 8.331 1.00 0.00 N ATOM 483 CA ILE A 31 -1.776 0.068 7.473 1.00 0.00 C ATOM 484 C ILE A 31 -2.909 -0.716 8.262 1.00 0.00 C ATOM 485 O ILE A 31 -4.075 -0.322 8.194 1.00 0.00 O ATOM 486 CB ILE A 31 -1.345 -0.696 6.162 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.254 0.049 5.336 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.561 -0.923 5.218 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.493 -0.850 4.347 1.00 0.00 C ATOM 0 H ILE A 31 0.288 0.038 7.977 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.216 1.019 7.172 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.935 -1.642 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.722 0.867 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.466 0.496 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.233 -1.452 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.316 -1.516 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.987 0.040 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.236 -0.261 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.991 -1.653 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.215 -1.277 3.637 1.00 0.00 H new ATOM 501 N ALA A 32 -2.554 -1.775 9.008 1.00 0.00 N ATOM 502 CA ALA A 32 -3.491 -2.503 9.894 1.00 0.00 C ATOM 503 C ALA A 32 -4.168 -1.713 11.059 1.00 0.00 C ATOM 504 O ALA A 32 -5.380 -1.845 11.241 1.00 0.00 O ATOM 505 CB ALA A 32 -2.731 -3.737 10.402 1.00 0.00 C ATOM 0 H ALA A 32 -1.608 -2.155 9.017 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.366 -2.747 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.376 -4.315 11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.433 -4.355 9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.843 -3.418 10.948 1.00 0.00 H new ATOM 511 N GLN A 33 -3.420 -0.901 11.816 1.00 0.00 N ATOM 512 CA GLN A 33 -3.988 0.009 12.848 1.00 0.00 C ATOM 513 C GLN A 33 -4.906 1.161 12.306 1.00 0.00 C ATOM 514 O GLN A 33 -5.954 1.418 12.900 1.00 0.00 O ATOM 515 CB GLN A 33 -2.766 0.536 13.648 1.00 0.00 C ATOM 516 CG GLN A 33 -3.127 1.309 14.933 1.00 0.00 C ATOM 517 CD GLN A 33 -1.913 1.869 15.656 1.00 0.00 C ATOM 518 OE1 GLN A 33 -1.240 1.195 16.425 1.00 0.00 O ATOM 519 NE2 GLN A 33 -1.584 3.119 15.451 1.00 0.00 N ATOM 0 H GLN A 33 -2.404 -0.848 11.739 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.687 -0.544 13.475 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.130 -0.309 13.914 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.178 1.187 13.001 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.801 2.128 14.680 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.670 0.647 15.607 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.135 3.693 14.813 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.777 3.519 15.929 1.00 0.00 H new ATOM 528 N ARG A 34 -4.520 1.839 11.217 1.00 0.00 N ATOM 529 CA ARG A 34 -5.356 2.887 10.573 1.00 0.00 C ATOM 530 C ARG A 34 -6.660 2.373 9.852 1.00 0.00 C ATOM 531 O ARG A 34 -7.719 2.970 10.052 1.00 0.00 O ATOM 532 CB ARG A 34 -4.462 3.656 9.565 1.00 0.00 C ATOM 533 CG ARG A 34 -3.421 4.613 10.184 1.00 0.00 C ATOM 534 CD ARG A 34 -2.509 5.191 9.090 1.00 0.00 C ATOM 535 NE ARG A 34 -1.621 6.224 9.667 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.784 6.983 8.980 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.571 6.878 7.701 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.125 7.880 9.629 1.00 0.00 N ATOM 0 H ARG A 34 -3.625 1.685 10.752 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.727 3.524 11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.936 2.929 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.107 4.232 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.928 5.422 10.709 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.822 4.081 10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.913 4.395 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.113 5.623 8.292 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.657 6.362 10.677 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.067 6.172 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.092 7.502 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.259 7.984 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.531 8.487 9.137 1.00 0.00 H new ATOM 551 N LEU A 35 -6.587 1.324 9.018 1.00 0.00 N ATOM 552 CA LEU A 35 -7.777 0.784 8.295 1.00 0.00 C ATOM 553 C LEU A 35 -8.632 -0.313 9.037 1.00 0.00 C ATOM 554 O LEU A 35 -9.775 -0.547 8.633 1.00 0.00 O ATOM 555 CB LEU A 35 -7.327 0.223 6.913 1.00 0.00 C ATOM 556 CG LEU A 35 -6.729 1.240 5.919 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.244 0.507 4.661 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.716 2.337 5.513 1.00 0.00 C ATOM 0 H LEU A 35 -5.721 0.824 8.819 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.447 1.640 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.588 -0.559 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.188 -0.250 6.440 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.898 1.727 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.822 1.227 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.481 -0.222 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.084 -0.006 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.234 3.019 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.587 1.885 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.031 2.889 6.399 1.00 0.00 H new ATOM 570 N GLY A 36 -8.096 -0.981 10.065 1.00 0.00 N ATOM 571 CA GLY A 36 -8.818 -2.037 10.813 1.00 0.00 C ATOM 572 C GLY A 36 -8.632 -3.480 10.317 1.00 0.00 C ATOM 573 O GLY A 36 -9.621 -4.173 10.079 1.00 0.00 O ATOM 0 H GLY A 36 -7.151 -0.811 10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.504 -1.992 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.882 -1.803 10.791 1.00 0.00 H new ATOM 577 N PHE A 37 -7.382 -3.950 10.225 1.00 0.00 N ATOM 578 CA PHE A 37 -7.084 -5.365 9.900 1.00 0.00 C ATOM 579 C PHE A 37 -6.691 -6.126 11.211 1.00 0.00 C ATOM 580 O PHE A 37 -5.576 -5.982 11.722 1.00 0.00 O ATOM 581 CB PHE A 37 -5.939 -5.490 8.862 1.00 0.00 C ATOM 582 CG PHE A 37 -6.277 -5.060 7.430 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.761 -6.006 6.516 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.051 -3.747 6.982 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.986 -5.660 5.184 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.265 -3.405 5.646 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.726 -4.363 4.748 1.00 0.00 C ATOM 0 H PHE A 37 -6.552 -3.375 10.370 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.979 -5.806 9.461 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.095 -4.894 9.209 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.608 -6.528 8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.962 -7.014 6.847 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.709 -2.996 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.362 -6.398 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.073 -2.397 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.882 -4.101 3.712 1.00 0.00 H new ATOM 597 N ARG A 38 -7.594 -6.981 11.707 1.00 0.00 N ATOM 598 CA ARG A 38 -7.306 -7.876 12.870 1.00 0.00 C ATOM 599 C ARG A 38 -6.120 -8.902 12.682 1.00 0.00 C ATOM 600 O ARG A 38 -5.416 -9.194 13.649 1.00 0.00 O ATOM 601 CB ARG A 38 -8.602 -8.632 13.259 1.00 0.00 C ATOM 602 CG ARG A 38 -9.711 -7.744 13.865 1.00 0.00 C ATOM 603 CD ARG A 38 -11.011 -8.514 14.151 1.00 0.00 C ATOM 604 NE ARG A 38 -11.726 -8.803 12.885 1.00 0.00 N ATOM 605 CZ ARG A 38 -12.889 -9.421 12.780 1.00 0.00 C ATOM 606 NH1 ARG A 38 -13.575 -9.876 13.788 1.00 0.00 N ATOM 607 NH2 ARG A 38 -13.370 -9.579 11.595 1.00 0.00 N ATOM 0 H ARG A 38 -8.536 -7.083 11.331 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.964 -7.213 13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.997 -9.128 12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.349 -9.413 13.976 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.347 -7.300 14.792 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.925 -6.923 13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.784 -9.446 14.669 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.650 -7.929 14.812 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.281 -8.498 12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.220 -9.765 14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.467 -10.343 13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.855 -9.232 10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.265 -10.051 11.467 1.00 0.00 H new ATOM 620 N SER A 39 -5.902 -9.405 11.457 1.00 0.00 N ATOM 621 CA SER A 39 -4.625 -10.055 11.077 1.00 0.00 C ATOM 622 C SER A 39 -3.803 -9.106 10.134 1.00 0.00 C ATOM 623 O SER A 39 -4.156 -9.018 8.951 1.00 0.00 O ATOM 624 CB SER A 39 -4.943 -11.407 10.394 1.00 0.00 C ATOM 625 OG SER A 39 -5.508 -12.325 11.329 1.00 0.00 O ATOM 0 H SER A 39 -6.592 -9.377 10.706 1.00 0.00 H new ATOM 0 HA SER A 39 -4.014 -10.245 11.960 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.637 -11.248 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.032 -11.828 9.969 1.00 0.00 H new ATOM 0 HG SER A 39 -5.704 -13.173 10.878 1.00 0.00 H new ATOM 631 N PRO A 40 -2.710 -8.415 10.570 1.00 0.00 N ATOM 632 CA PRO A 40 -1.878 -7.538 9.666 1.00 0.00 C ATOM 633 C PRO A 40 -1.332 -8.097 8.326 1.00 0.00 C ATOM 634 O PRO A 40 -1.205 -7.343 7.361 1.00 0.00 O ATOM 635 CB PRO A 40 -0.748 -7.058 10.614 1.00 0.00 C ATOM 636 CG PRO A 40 -1.419 -7.030 12.004 1.00 0.00 C ATOM 637 CD PRO A 40 -2.344 -8.258 11.997 1.00 0.00 C ATOM 0 HA PRO A 40 -2.523 -6.768 9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.105 -7.737 10.595 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.378 -6.073 10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.681 -7.091 12.804 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.981 -6.108 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.837 -9.143 12.380 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.224 -8.100 12.621 1.00 0.00 H new ATOM 645 N ASN A 41 -1.077 -9.411 8.246 1.00 0.00 N ATOM 646 CA ASN A 41 -0.760 -10.120 6.973 1.00 0.00 C ATOM 647 C ASN A 41 -1.726 -9.864 5.756 1.00 0.00 C ATOM 648 O ASN A 41 -1.238 -9.680 4.641 1.00 0.00 O ATOM 649 CB ASN A 41 -0.635 -11.616 7.364 1.00 0.00 C ATOM 650 CG ASN A 41 0.012 -12.525 6.336 1.00 0.00 C ATOM 651 OD1 ASN A 41 0.722 -12.117 5.425 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.196 -13.811 6.437 1.00 0.00 N ATOM 0 H ASN A 41 -1.082 -10.025 9.060 1.00 0.00 H new ATOM 0 HA ASN A 41 0.164 -9.715 6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.062 -11.682 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.633 -11.998 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.229 -14.451 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.783 -14.175 7.187 1.00 0.00 H new ATOM 659 N ALA A 42 -3.049 -9.787 5.977 1.00 0.00 N ATOM 660 CA ALA A 42 -4.014 -9.324 4.942 1.00 0.00 C ATOM 661 C ALA A 42 -3.804 -7.894 4.326 1.00 0.00 C ATOM 662 O ALA A 42 -3.999 -7.736 3.119 1.00 0.00 O ATOM 663 CB ALA A 42 -5.406 -9.469 5.575 1.00 0.00 C ATOM 0 H ALA A 42 -3.485 -10.039 6.864 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.861 -9.946 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.165 -9.144 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.579 -10.512 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.463 -8.854 6.473 1.00 0.00 H new ATOM 669 N ALA A 43 -3.368 -6.894 5.112 1.00 0.00 N ATOM 670 CA ALA A 43 -2.896 -5.591 4.569 1.00 0.00 C ATOM 671 C ALA A 43 -1.688 -5.648 3.568 1.00 0.00 C ATOM 672 O ALA A 43 -1.744 -5.013 2.513 1.00 0.00 O ATOM 673 CB ALA A 43 -2.574 -4.702 5.781 1.00 0.00 C ATOM 0 H ALA A 43 -3.330 -6.956 6.129 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.695 -5.188 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.222 -3.730 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.472 -4.569 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.799 -5.175 6.384 1.00 0.00 H new ATOM 679 N GLU A 44 -0.645 -6.438 3.878 1.00 0.00 N ATOM 680 CA GLU A 44 0.428 -6.775 2.901 1.00 0.00 C ATOM 681 C GLU A 44 -0.008 -7.630 1.665 1.00 0.00 C ATOM 682 O GLU A 44 0.523 -7.378 0.587 1.00 0.00 O ATOM 683 CB GLU A 44 1.573 -7.437 3.704 1.00 0.00 C ATOM 684 CG GLU A 44 2.893 -7.697 2.952 1.00 0.00 C ATOM 685 CD GLU A 44 3.651 -6.457 2.509 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.970 -5.541 3.261 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.949 -6.477 1.182 1.00 0.00 O ATOM 0 H GLU A 44 -0.514 -6.860 4.797 1.00 0.00 H new ATOM 0 HA GLU A 44 0.749 -5.849 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.792 -6.806 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.210 -8.389 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.545 -8.290 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.676 -8.302 2.072 1.00 0.00 H new ATOM 695 N GLU A 45 -0.948 -8.584 1.771 1.00 0.00 N ATOM 696 CA GLU A 45 -1.535 -9.261 0.574 1.00 0.00 C ATOM 697 C GLU A 45 -2.335 -8.336 -0.413 1.00 0.00 C ATOM 698 O GLU A 45 -2.166 -8.488 -1.625 1.00 0.00 O ATOM 699 CB GLU A 45 -2.364 -10.494 1.012 1.00 0.00 C ATOM 700 CG GLU A 45 -1.568 -11.814 1.114 1.00 0.00 C ATOM 701 CD GLU A 45 -0.504 -11.878 2.189 1.00 0.00 C ATOM 702 OE1 GLU A 45 0.676 -11.597 2.006 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.005 -12.284 3.383 1.00 0.00 O ATOM 0 H GLU A 45 -1.324 -8.911 2.661 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.681 -9.582 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.815 -10.284 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.181 -10.634 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.274 -12.626 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.092 -12.001 0.151 1.00 0.00 H new ATOM 711 N HIS A 46 -3.126 -7.364 0.070 1.00 0.00 N ATOM 712 CA HIS A 46 -3.611 -6.236 -0.785 1.00 0.00 C ATOM 713 C HIS A 46 -2.477 -5.329 -1.406 1.00 0.00 C ATOM 714 O HIS A 46 -2.560 -4.999 -2.589 1.00 0.00 O ATOM 715 CB HIS A 46 -4.606 -5.355 0.005 1.00 0.00 C ATOM 716 CG HIS A 46 -5.966 -6.000 0.289 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.875 -6.340 -0.703 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.490 -6.301 1.556 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.883 -6.840 0.075 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.745 -6.856 1.434 1.00 0.00 N ATOM 0 H HIS A 46 -3.448 -7.324 1.037 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.101 -6.716 -1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.147 -5.079 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.769 -4.431 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.982 -6.123 2.492 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.784 -7.220 -0.383 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.388 -7.185 2.154 1.00 0.00 H new ATOM 728 N LEU A 47 -1.434 -4.977 -0.639 1.00 0.00 N ATOM 729 CA LEU A 47 -0.194 -4.347 -1.181 1.00 0.00 C ATOM 730 C LEU A 47 0.572 -5.178 -2.279 1.00 0.00 C ATOM 731 O LEU A 47 0.918 -4.630 -3.323 1.00 0.00 O ATOM 732 CB LEU A 47 0.703 -4.000 0.038 1.00 0.00 C ATOM 733 CG LEU A 47 1.714 -2.855 -0.179 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.025 -1.486 -0.164 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.757 -2.874 0.951 1.00 0.00 C ATOM 0 H LEU A 47 -1.414 -5.115 0.371 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.481 -3.454 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.058 -3.737 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.253 -4.895 0.328 1.00 0.00 H new ATOM 0 HG LEU A 47 2.183 -3.007 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.767 -0.703 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.281 -1.444 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.536 -1.336 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.472 -2.066 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.257 -2.741 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.282 -3.829 0.945 1.00 0.00 H new ATOM 747 N LYS A 48 0.787 -6.481 -2.066 1.00 0.00 N ATOM 748 CA LYS A 48 1.302 -7.423 -3.100 1.00 0.00 C ATOM 749 C LYS A 48 0.406 -7.592 -4.380 1.00 0.00 C ATOM 750 O LYS A 48 0.952 -7.592 -5.484 1.00 0.00 O ATOM 751 CB LYS A 48 1.548 -8.798 -2.423 1.00 0.00 C ATOM 752 CG LYS A 48 2.766 -8.832 -1.480 1.00 0.00 C ATOM 753 CD LYS A 48 2.747 -10.001 -0.483 1.00 0.00 C ATOM 754 CE LYS A 48 2.871 -11.389 -1.108 1.00 0.00 C ATOM 755 NZ LYS A 48 2.856 -12.396 -0.030 1.00 0.00 N ATOM 0 H LYS A 48 0.611 -6.928 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 48 2.223 -6.984 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.658 -9.076 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.682 -9.553 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.675 -8.892 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.811 -7.895 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.563 -9.865 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.818 -9.958 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.049 -11.566 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.794 -11.464 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.667 -13.335 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.779 -12.405 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.111 -12.159 0.656 1.00 0.00 H new ATOM 768 N ALA A 49 -0.927 -7.686 -4.249 1.00 0.00 N ATOM 769 CA ALA A 49 -1.862 -7.558 -5.399 1.00 0.00 C ATOM 770 C ALA A 49 -1.804 -6.209 -6.200 1.00 0.00 C ATOM 771 O ALA A 49 -1.774 -6.244 -7.429 1.00 0.00 O ATOM 772 CB ALA A 49 -3.269 -7.840 -4.851 1.00 0.00 C ATOM 0 H ALA A 49 -1.392 -7.851 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.556 -8.279 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.997 -7.759 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.302 -8.846 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.508 -7.116 -4.072 1.00 0.00 H new ATOM 778 N LEU A 50 -1.733 -5.055 -5.521 1.00 0.00 N ATOM 779 CA LEU A 50 -1.369 -3.754 -6.150 1.00 0.00 C ATOM 780 C LEU A 50 0.047 -3.699 -6.857 1.00 0.00 C ATOM 781 O LEU A 50 0.145 -3.158 -7.958 1.00 0.00 O ATOM 782 CB LEU A 50 -1.443 -2.657 -5.054 1.00 0.00 C ATOM 783 CG LEU A 50 -2.835 -2.293 -4.502 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.658 -1.491 -3.201 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.656 -1.464 -5.491 1.00 0.00 C ATOM 0 H LEU A 50 -1.924 -4.985 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.083 -3.598 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.822 -2.976 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.993 -1.749 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.376 -3.222 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.637 -1.227 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.118 -2.095 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.094 -0.582 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.628 -1.234 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.129 -0.536 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.797 -2.030 -6.412 1.00 0.00 H new ATOM 797 N ALA A 51 1.107 -4.245 -6.248 1.00 0.00 N ATOM 798 CA ALA A 51 2.442 -4.371 -6.890 1.00 0.00 C ATOM 799 C ALA A 51 2.534 -5.326 -8.127 1.00 0.00 C ATOM 800 O ALA A 51 3.095 -4.930 -9.149 1.00 0.00 O ATOM 801 CB ALA A 51 3.411 -4.780 -5.772 1.00 0.00 C ATOM 0 H ALA A 51 1.074 -4.614 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 51 2.694 -3.410 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.415 -4.889 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.417 -4.013 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.090 -5.728 -5.341 1.00 0.00 H new ATOM 807 N ARG A 52 1.962 -6.537 -8.044 1.00 0.00 N ATOM 808 CA ARG A 52 1.771 -7.439 -9.218 1.00 0.00 C ATOM 809 C ARG A 52 0.877 -6.877 -10.380 1.00 0.00 C ATOM 810 O ARG A 52 1.225 -7.064 -11.547 1.00 0.00 O ATOM 811 CB ARG A 52 1.238 -8.773 -8.631 1.00 0.00 C ATOM 812 CG ARG A 52 1.194 -9.952 -9.622 1.00 0.00 C ATOM 813 CD ARG A 52 0.707 -11.238 -8.936 1.00 0.00 C ATOM 814 NE ARG A 52 0.655 -12.356 -9.908 1.00 0.00 N ATOM 815 CZ ARG A 52 1.643 -13.187 -10.196 1.00 0.00 C ATOM 816 NH1 ARG A 52 2.831 -13.132 -9.669 1.00 0.00 N ATOM 817 NH2 ARG A 52 1.404 -14.110 -11.063 1.00 0.00 N ATOM 0 H ARG A 52 1.615 -6.929 -7.168 1.00 0.00 H new ATOM 0 HA ARG A 52 2.723 -7.563 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.863 -9.054 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.233 -8.606 -8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.532 -9.707 -10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.187 -10.114 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.375 -11.494 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.281 -11.076 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.226 -12.498 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.051 -12.411 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.542 -13.810 -9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.483 -14.177 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.136 -14.774 -11.316 1.00 0.00 H new ATOM 830 N LYS A 53 -0.230 -6.188 -10.069 1.00 0.00 N ATOM 831 CA LYS A 53 -1.012 -5.405 -11.070 1.00 0.00 C ATOM 832 C LYS A 53 -0.260 -4.184 -11.709 1.00 0.00 C ATOM 833 O LYS A 53 -0.316 -4.027 -12.931 1.00 0.00 O ATOM 834 CB LYS A 53 -2.330 -5.027 -10.352 1.00 0.00 C ATOM 835 CG LYS A 53 -3.412 -4.409 -11.253 1.00 0.00 C ATOM 836 CD LYS A 53 -4.720 -4.216 -10.464 1.00 0.00 C ATOM 837 CE LYS A 53 -5.858 -3.637 -11.308 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.692 -2.183 -11.516 1.00 0.00 N ATOM 0 H LYS A 53 -0.617 -6.150 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.197 -6.011 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.739 -5.922 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.100 -4.323 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.068 -3.450 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.590 -5.054 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.034 -5.176 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.532 -3.555 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.890 -4.142 -12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.811 -3.829 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.480 -1.822 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.686 -1.699 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.793 -2.003 -12.008 1.00 0.00 H new ATOM 851 N GLY A 54 0.425 -3.353 -10.907 1.00 0.00 N ATOM 852 CA GLY A 54 1.436 -2.395 -11.419 1.00 0.00 C ATOM 853 C GLY A 54 1.352 -0.952 -10.899 1.00 0.00 C ATOM 854 O GLY A 54 1.231 -0.035 -11.711 1.00 0.00 O ATOM 0 H GLY A 54 0.301 -3.321 -9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.425 -2.785 -11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.359 -2.369 -12.506 1.00 0.00 H new ATOM 858 N VAL A 55 1.477 -0.740 -9.577 1.00 0.00 N ATOM 859 CA VAL A 55 1.429 0.634 -8.981 1.00 0.00 C ATOM 860 C VAL A 55 2.530 0.959 -7.897 1.00 0.00 C ATOM 861 O VAL A 55 2.994 2.102 -7.876 1.00 0.00 O ATOM 862 CB VAL A 55 0.017 1.089 -8.482 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.007 1.249 -9.624 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.613 0.220 -7.389 1.00 0.00 C ATOM 0 H VAL A 55 1.611 -1.486 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 55 1.677 1.238 -9.854 1.00 0.00 H new ATOM 0 HB VAL A 55 0.240 2.059 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.965 1.566 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.650 1.998 -10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.131 0.296 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.588 0.626 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.733 -0.798 -7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.033 0.214 -6.511 1.00 0.00 H new ATOM 874 N ILE A 56 2.919 0.028 -7.005 1.00 0.00 N ATOM 875 CA ILE A 56 3.996 0.274 -5.992 1.00 0.00 C ATOM 876 C ILE A 56 5.126 -0.811 -6.082 1.00 0.00 C ATOM 877 O ILE A 56 4.854 -2.013 -6.139 1.00 0.00 O ATOM 878 CB ILE A 56 3.509 0.481 -4.515 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.990 -0.734 -3.725 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.554 1.682 -4.371 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.649 -1.316 -4.137 1.00 0.00 C ATOM 0 H ILE A 56 2.511 -0.906 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 56 4.410 1.243 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 56 4.459 0.690 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.736 -1.525 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.925 -0.450 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.247 1.780 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.064 2.592 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.674 1.524 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.409 -2.165 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.875 -0.555 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.699 -1.647 -5.174 1.00 0.00 H new ATOM 893 N GLU A 57 6.393 -0.383 -6.059 1.00 0.00 N ATOM 894 CA GLU A 57 7.560 -1.304 -6.130 1.00 0.00 C ATOM 895 C GLU A 57 8.029 -1.725 -4.704 1.00 0.00 C ATOM 896 O GLU A 57 8.742 -0.976 -4.034 1.00 0.00 O ATOM 897 CB GLU A 57 8.643 -0.546 -6.947 1.00 0.00 C ATOM 898 CG GLU A 57 9.891 -1.388 -7.277 1.00 0.00 C ATOM 899 CD GLU A 57 10.935 -0.620 -8.072 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.933 -0.116 -7.569 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.629 -0.562 -9.400 1.00 0.00 O ATOM 0 H GLU A 57 6.650 0.602 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 57 7.319 -2.246 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.199 -0.194 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.952 0.337 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.338 -1.743 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.588 -2.269 -7.842 1.00 0.00 H new ATOM 909 N ILE A 58 7.629 -2.921 -4.252 1.00 0.00 N ATOM 910 CA ILE A 58 7.966 -3.424 -2.883 1.00 0.00 C ATOM 911 C ILE A 58 9.424 -4.010 -2.857 1.00 0.00 C ATOM 912 O ILE A 58 9.717 -5.003 -3.528 1.00 0.00 O ATOM 913 CB ILE A 58 6.917 -4.508 -2.398 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.454 -3.980 -2.367 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.254 -5.050 -0.979 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.398 -5.087 -2.321 1.00 0.00 C ATOM 0 H ILE A 58 7.070 -3.571 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 58 7.919 -2.582 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 58 6.990 -5.306 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.329 -3.335 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.282 -3.363 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.510 -5.790 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.241 -5.513 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.248 -4.227 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.404 -4.641 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.495 -5.719 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.543 -5.691 -1.425 1.00 0.00 H new ATOM 928 N VAL A 59 10.296 -3.442 -2.016 1.00 0.00 N ATOM 929 CA VAL A 59 11.632 -4.041 -1.720 1.00 0.00 C ATOM 930 C VAL A 59 11.539 -5.281 -0.768 1.00 0.00 C ATOM 931 O VAL A 59 10.966 -5.208 0.324 1.00 0.00 O ATOM 932 CB VAL A 59 12.596 -2.922 -1.202 1.00 0.00 C ATOM 933 CG1 VAL A 59 12.319 -2.413 0.223 1.00 0.00 C ATOM 934 CG2 VAL A 59 14.078 -3.350 -1.279 1.00 0.00 C ATOM 0 H VAL A 59 10.114 -2.569 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 59 12.052 -4.444 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 59 12.392 -2.096 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.044 -1.641 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.313 -1.997 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.404 -3.240 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.710 -2.542 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.232 -4.240 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.340 -3.571 -2.314 1.00 0.00 H new ATOM 944 N SER A 60 12.149 -6.406 -1.159 1.00 0.00 N ATOM 945 CA SER A 60 12.257 -7.601 -0.279 1.00 0.00 C ATOM 946 C SER A 60 13.496 -7.536 0.673 1.00 0.00 C ATOM 947 O SER A 60 14.537 -8.145 0.404 1.00 0.00 O ATOM 948 CB SER A 60 12.255 -8.856 -1.191 1.00 0.00 C ATOM 949 OG SER A 60 13.438 -8.958 -1.990 1.00 0.00 O ATOM 0 H SER A 60 12.579 -6.525 -2.076 1.00 0.00 H new ATOM 0 HA SER A 60 11.404 -7.643 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.160 -9.749 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.382 -8.825 -1.843 1.00 0.00 H new ATOM 0 HG SER A 60 14.217 -8.699 -1.455 1.00 0.00 H new ATOM 955 N GLY A 61 13.381 -6.775 1.771 1.00 0.00 N ATOM 956 CA GLY A 61 14.504 -6.591 2.724 1.00 0.00 C ATOM 957 C GLY A 61 14.481 -5.305 3.565 1.00 0.00 C ATOM 958 O GLY A 61 14.404 -5.377 4.792 1.00 0.00 O ATOM 0 H GLY A 61 12.529 -6.276 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.519 -7.443 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.437 -6.615 2.161 1.00 0.00 H new ATOM 962 N ALA A 62 14.621 -4.140 2.921 1.00 0.00 N ATOM 963 CA ALA A 62 14.776 -2.850 3.634 1.00 0.00 C ATOM 964 C ALA A 62 13.463 -2.235 4.215 1.00 0.00 C ATOM 965 O ALA A 62 12.403 -2.247 3.581 1.00 0.00 O ATOM 966 CB ALA A 62 15.426 -1.877 2.634 1.00 0.00 C ATOM 0 H ALA A 62 14.631 -4.056 1.905 1.00 0.00 H new ATOM 0 HA ALA A 62 15.386 -3.031 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.564 -0.906 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.394 -2.269 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.781 -1.766 1.762 1.00 0.00 H new ATOM 972 N SER A 63 13.571 -1.636 5.409 1.00 0.00 N ATOM 973 CA SER A 63 12.430 -0.961 6.076 1.00 0.00 C ATOM 974 C SER A 63 12.006 0.375 5.384 1.00 0.00 C ATOM 975 O SER A 63 12.688 1.395 5.490 1.00 0.00 O ATOM 976 CB SER A 63 12.823 -0.737 7.557 1.00 0.00 C ATOM 977 OG SER A 63 11.739 -0.177 8.301 1.00 0.00 O ATOM 0 H SER A 63 14.440 -1.601 5.942 1.00 0.00 H new ATOM 0 HA SER A 63 11.549 -1.599 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.123 -1.685 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.686 -0.073 7.611 1.00 0.00 H new ATOM 0 HG SER A 63 12.014 -0.048 9.233 1.00 0.00 H new ATOM 983 N ARG A 64 10.855 0.321 4.702 1.00 0.00 N ATOM 984 CA ARG A 64 10.216 1.491 4.023 1.00 0.00 C ATOM 985 C ARG A 64 10.819 1.912 2.621 1.00 0.00 C ATOM 986 O ARG A 64 10.721 3.076 2.223 1.00 0.00 O ATOM 987 CB ARG A 64 9.965 2.713 4.958 1.00 0.00 C ATOM 988 CG ARG A 64 9.095 2.435 6.200 1.00 0.00 C ATOM 989 CD ARG A 64 9.025 3.668 7.113 1.00 0.00 C ATOM 990 NE ARG A 64 8.287 3.351 8.360 1.00 0.00 N ATOM 991 CZ ARG A 64 7.041 3.696 8.636 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.252 4.326 7.823 1.00 0.00 N ATOM 993 NH2 ARG A 64 6.575 3.380 9.796 1.00 0.00 N ATOM 0 H ARG A 64 10.322 -0.542 4.596 1.00 0.00 H new ATOM 0 HA ARG A 64 9.237 1.086 3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.929 3.097 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.492 3.503 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.090 2.152 5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.506 1.591 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.033 4.005 7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.532 4.487 6.590 1.00 0.00 H new ATOM 0 HE ARG A 64 8.787 2.817 9.071 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.582 4.591 6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.301 4.557 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.163 2.881 10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.618 3.629 10.046 1.00 0.00 H new ATOM 1006 N GLY A 65 11.306 0.956 1.812 1.00 0.00 N ATOM 1007 CA GLY A 65 11.581 1.198 0.365 1.00 0.00 C ATOM 1008 C GLY A 65 10.484 0.696 -0.598 1.00 0.00 C ATOM 1009 O GLY A 65 10.746 -0.138 -1.462 1.00 0.00 O ATOM 0 H GLY A 65 11.520 0.009 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.718 2.268 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.522 0.715 0.103 1.00 0.00 H new ATOM 1013 N ILE A 66 9.268 1.218 -0.438 1.00 0.00 N ATOM 1014 CA ILE A 66 8.071 0.778 -1.215 1.00 0.00 C ATOM 1015 C ILE A 66 7.584 2.021 -2.039 1.00 0.00 C ATOM 1016 O ILE A 66 6.793 2.829 -1.545 1.00 0.00 O ATOM 1017 CB ILE A 66 6.955 0.198 -0.263 1.00 0.00 C ATOM 1018 CG1 ILE A 66 7.441 -0.985 0.625 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.734 -0.284 -1.093 1.00 0.00 C ATOM 1020 CD1 ILE A 66 6.591 -1.195 1.883 1.00 0.00 C ATOM 0 H ILE A 66 9.067 1.961 0.232 1.00 0.00 H new ATOM 0 HA ILE A 66 8.317 -0.038 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 66 6.682 1.019 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.432 -1.900 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.475 -0.806 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.972 -0.682 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.322 0.555 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.050 -1.064 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.987 -2.035 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.620 -0.294 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.561 -1.405 1.595 1.00 0.00 H new ATOM 1032 N ARG A 67 8.097 2.209 -3.261 1.00 0.00 N ATOM 1033 CA ARG A 67 7.965 3.514 -3.975 1.00 0.00 C ATOM 1034 C ARG A 67 6.866 3.464 -5.086 1.00 0.00 C ATOM 1035 O ARG A 67 6.768 2.503 -5.854 1.00 0.00 O ATOM 1036 CB ARG A 67 9.325 3.980 -4.546 1.00 0.00 C ATOM 1037 CG ARG A 67 10.515 4.097 -3.572 1.00 0.00 C ATOM 1038 CD ARG A 67 10.310 4.835 -2.244 1.00 0.00 C ATOM 1039 NE ARG A 67 10.134 6.295 -2.415 1.00 0.00 N ATOM 1040 CZ ARG A 67 10.189 7.189 -1.432 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.400 6.903 -0.182 1.00 0.00 N ATOM 1042 NH2 ARG A 67 10.023 8.433 -1.726 1.00 0.00 N ATOM 0 H ARG A 67 8.603 1.493 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 67 7.642 4.252 -3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.609 3.289 -5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.176 4.955 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.853 3.087 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.329 4.591 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.435 4.426 -1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.167 4.651 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 67 9.957 6.641 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.538 5.933 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.428 7.648 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.854 8.710 -2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.060 9.140 -0.992 1.00 0.00 H new ATOM 1055 N LEU A 68 6.029 4.504 -5.144 1.00 0.00 N ATOM 1056 CA LEU A 68 4.833 4.544 -6.043 1.00 0.00 C ATOM 1057 C LEU A 68 5.162 5.129 -7.446 1.00 0.00 C ATOM 1058 O LEU A 68 5.972 6.051 -7.591 1.00 0.00 O ATOM 1059 CB LEU A 68 3.745 5.292 -5.226 1.00 0.00 C ATOM 1060 CG LEU A 68 2.281 5.174 -5.704 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.345 5.324 -4.484 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.875 6.239 -6.723 1.00 0.00 C ATOM 0 H LEU A 68 6.145 5.346 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 68 4.464 3.554 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.792 4.934 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.008 6.350 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 68 2.196 4.201 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.308 5.242 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.561 4.538 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.505 6.298 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.834 6.090 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.991 7.229 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.510 6.159 -7.605 1.00 0.00 H new ATOM 1074 N LEU A 69 4.532 4.589 -8.497 1.00 0.00 N ATOM 1075 CA LEU A 69 4.753 5.039 -9.898 1.00 0.00 C ATOM 1076 C LEU A 69 4.042 6.416 -10.183 1.00 0.00 C ATOM 1077 O LEU A 69 2.866 6.476 -10.544 1.00 0.00 O ATOM 1078 CB LEU A 69 4.283 3.936 -10.880 1.00 0.00 C ATOM 1079 CG LEU A 69 5.053 2.594 -10.841 1.00 0.00 C ATOM 1080 CD1 LEU A 69 4.379 1.611 -11.811 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.528 2.725 -11.230 1.00 0.00 C ATOM 0 H LEU A 69 3.855 3.830 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 69 5.820 5.205 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.231 3.730 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.345 4.334 -11.893 1.00 0.00 H new ATOM 0 HG LEU A 69 5.022 2.240 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.912 0.660 -11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.344 1.453 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.403 2.022 -12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.006 1.746 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.603 3.115 -12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.027 3.407 -10.541 1.00 0.00 H new ATOM 1093 N GLN A 70 4.821 7.485 -9.947 1.00 0.00 N ATOM 1094 CA GLN A 70 4.332 8.890 -9.788 1.00 0.00 C ATOM 1095 C GLN A 70 3.867 9.146 -8.307 1.00 0.00 C ATOM 1096 O GLN A 70 2.671 9.153 -7.999 1.00 0.00 O ATOM 1097 CB GLN A 70 3.306 9.414 -10.823 1.00 0.00 C ATOM 1098 CG GLN A 70 3.771 9.344 -12.291 1.00 0.00 C ATOM 1099 CD GLN A 70 2.719 9.806 -13.286 1.00 0.00 C ATOM 1100 OE1 GLN A 70 2.708 10.941 -13.744 1.00 0.00 O ATOM 1101 NE2 GLN A 70 1.802 8.951 -13.661 1.00 0.00 N ATOM 0 H GLN A 70 5.834 7.408 -9.857 1.00 0.00 H new ATOM 0 HA GLN A 70 5.207 9.497 -10.019 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.384 8.841 -10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.066 10.450 -10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.665 9.956 -12.410 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.054 8.318 -12.525 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.804 8.003 -13.284 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.085 9.232 -14.330 1.00 0.00 H new ATOM 1110 N GLU A 71 4.830 9.324 -7.387 1.00 0.00 N ATOM 1111 CA GLU A 71 4.560 9.235 -5.925 1.00 0.00 C ATOM 1112 C GLU A 71 4.019 10.531 -5.255 1.00 0.00 C ATOM 1113 O GLU A 71 4.738 11.287 -4.602 1.00 0.00 O ATOM 1114 CB GLU A 71 5.754 8.550 -5.221 1.00 0.00 C ATOM 1115 CG GLU A 71 7.100 9.274 -5.154 1.00 0.00 C ATOM 1116 CD GLU A 71 8.281 8.452 -4.628 1.00 0.00 C ATOM 1117 OE1 GLU A 71 9.444 8.795 -4.801 1.00 0.00 O ATOM 1118 OE2 GLU A 71 7.925 7.339 -3.919 1.00 0.00 O ATOM 0 H GLU A 71 5.802 9.530 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 71 3.692 8.591 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.449 8.331 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.921 7.593 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.348 9.631 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.985 10.154 -4.521 1.00 0.00 H new ATOM 1126 N GLU A 72 2.702 10.727 -5.387 1.00 0.00 N ATOM 1127 CA GLU A 72 1.947 11.784 -4.672 1.00 0.00 C ATOM 1128 C GLU A 72 1.178 11.173 -3.475 1.00 0.00 C ATOM 1129 O GLU A 72 0.179 10.467 -3.591 1.00 0.00 O ATOM 1130 CB GLU A 72 1.053 12.555 -5.676 1.00 0.00 C ATOM 1131 CG GLU A 72 -0.024 11.781 -6.466 1.00 0.00 C ATOM 1132 CD GLU A 72 -1.471 12.062 -6.092 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -2.246 12.671 -6.821 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -1.813 11.536 -4.883 1.00 0.00 O ATOM 0 H GLU A 72 2.117 10.155 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 72 2.627 12.519 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.550 13.350 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.711 13.036 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.104 12.003 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.160 10.714 -6.339 1.00 0.00 H new TER 1142 GLU A 72