USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= -2.97! C(o=-3.5!,f=-3.7!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -0.576 F(o=-7.4,f=-3.5) USER MOD Set 2.1: A 23 THR OG1 : rot 71:sc= 1.38 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.551! C(o=0.83!,f=-10!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -128:sc= -0.0537 (180deg=-0.986) USER MOD Set 3.2: A 19 GLN : amide:sc= -1.72 K(o=-1.8,f=-4.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.454 K(o=-0.45,f=-3.2!) USER MOD Single : A 14 GLN : amide:sc= -4.7! C(o=-4.7!,f=-6.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.856! F(o=-2.2,f=-0.86!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= -0.188 (180deg=-1.09!) USER MOD Single : A 63 THR OG1 : rot -115:sc= 1.28 USER MOD Single : A 64 THR OG1 : rot 178:sc= -1.91! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 56:sc= 0.169 USER MOD Single : A 75 HIS : no HE2:sc= -13.8! C(o=-14!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.167 -8.478 -10.534 1.00 0.00 N ATOM 27 CA ILE A 3 -2.155 -7.777 -9.762 1.00 0.00 C ATOM 28 C ILE A 3 -2.622 -6.344 -9.498 1.00 0.00 C ATOM 29 O ILE A 3 -3.114 -6.038 -8.413 1.00 0.00 O ATOM 30 CB ILE A 3 -0.796 -7.862 -10.459 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.045 -9.129 -10.045 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.030 -6.599 -10.207 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.574 -8.970 -8.655 1.00 0.00 C ATOM 0 HA ILE A 3 -2.020 -8.252 -8.790 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.968 -7.926 -11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.728 -9.978 -10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.737 -9.347 -10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.991 -6.686 -10.714 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.506 -5.731 -10.591 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.194 -6.479 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.102 -9.885 -8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.275 -8.135 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.213 -8.777 -7.926 1.00 0.00 H new ATOM 45 N GLU A 4 -2.452 -5.505 -10.509 1.00 0.00 N ATOM 46 CA GLU A 4 -2.850 -4.111 -10.399 1.00 0.00 C ATOM 47 C GLU A 4 -4.248 -4.005 -9.786 1.00 0.00 C ATOM 48 O GLU A 4 -4.449 -3.282 -8.812 1.00 0.00 O ATOM 49 CB GLU A 4 -2.794 -3.417 -11.761 1.00 0.00 C ATOM 50 CG GLU A 4 -3.642 -2.143 -11.762 1.00 0.00 C ATOM 51 CD GLU A 4 -3.436 -1.348 -13.053 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.381 -1.190 -13.841 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.244 -0.886 -13.225 1.00 0.00 O ATOM 0 H GLU A 4 -2.044 -5.763 -11.408 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.146 -3.603 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.761 -3.171 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.151 -4.097 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.695 -2.403 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.377 -1.525 -10.904 1.00 0.00 H new ATOM 61 N GLU A 5 -5.177 -4.738 -10.382 1.00 0.00 N ATOM 62 CA GLU A 5 -6.551 -4.735 -9.907 1.00 0.00 C ATOM 63 C GLU A 5 -6.583 -4.670 -8.378 1.00 0.00 C ATOM 64 O GLU A 5 -7.090 -3.706 -7.805 1.00 0.00 O ATOM 65 CB GLU A 5 -7.311 -5.960 -10.419 1.00 0.00 C ATOM 66 CG GLU A 5 -8.549 -6.234 -9.564 1.00 0.00 C ATOM 67 CD GLU A 5 -9.687 -6.803 -10.414 1.00 0.00 C ATOM 68 OE1 GLU A 5 -10.835 -6.347 -10.299 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.346 -7.753 -11.218 1.00 0.00 O ATOM 0 H GLU A 5 -5.006 -5.338 -11.189 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.049 -3.849 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.609 -5.801 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.656 -6.831 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.298 -6.936 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.875 -5.312 -9.084 1.00 0.00 H new ATOM 77 N ARG A 6 -6.036 -5.707 -7.762 1.00 0.00 N ATOM 78 CA ARG A 6 -5.996 -5.780 -6.311 1.00 0.00 C ATOM 79 C ARG A 6 -5.331 -4.528 -5.735 1.00 0.00 C ATOM 80 O ARG A 6 -5.838 -3.933 -4.786 1.00 0.00 O ATOM 81 CB ARG A 6 -5.229 -7.018 -5.842 1.00 0.00 C ATOM 82 CG ARG A 6 -6.000 -8.298 -6.171 1.00 0.00 C ATOM 83 CD ARG A 6 -5.116 -9.533 -5.990 1.00 0.00 C ATOM 84 NE ARG A 6 -5.783 -10.506 -5.096 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.402 -11.794 -4.962 1.00 0.00 C ATOM 86 NH1 ARG A 6 -4.355 -12.276 -5.664 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.071 -12.576 -4.134 1.00 0.00 N ATOM 0 H ARG A 6 -5.617 -6.504 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.024 -5.847 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.250 -7.046 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.058 -6.959 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.875 -8.375 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.363 -8.254 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.917 -9.993 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.153 -9.243 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.580 -10.183 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.845 -11.666 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.074 -13.251 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.862 -12.204 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.797 -13.552 -4.021 1.00 0.00 H new ATOM 100 N VAL A 7 -4.206 -4.165 -6.334 1.00 0.00 N ATOM 101 CA VAL A 7 -3.467 -2.995 -5.893 1.00 0.00 C ATOM 102 C VAL A 7 -4.414 -1.796 -5.821 1.00 0.00 C ATOM 103 O VAL A 7 -4.717 -1.303 -4.736 1.00 0.00 O ATOM 104 CB VAL A 7 -2.267 -2.756 -6.812 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.416 -1.588 -6.311 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.426 -4.026 -6.957 1.00 0.00 C ATOM 0 H VAL A 7 -3.789 -4.661 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.065 -3.152 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.648 -2.493 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.570 -1.440 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.021 -0.682 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.049 -1.809 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.580 -3.829 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.060 -4.334 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.038 -4.821 -7.382 1.00 0.00 H new ATOM 116 N LYS A 8 -4.855 -1.360 -6.992 1.00 0.00 N ATOM 117 CA LYS A 8 -5.761 -0.227 -7.077 1.00 0.00 C ATOM 118 C LYS A 8 -6.792 -0.320 -5.950 1.00 0.00 C ATOM 119 O LYS A 8 -7.095 0.677 -5.297 1.00 0.00 O ATOM 120 CB LYS A 8 -6.381 -0.140 -8.473 1.00 0.00 C ATOM 121 CG LYS A 8 -5.688 0.932 -9.315 1.00 0.00 C ATOM 122 CD LYS A 8 -5.039 0.319 -10.557 1.00 0.00 C ATOM 123 CE LYS A 8 -5.545 0.998 -11.832 1.00 0.00 C ATOM 124 NZ LYS A 8 -7.012 0.843 -11.954 1.00 0.00 N ATOM 0 H LYS A 8 -4.602 -1.771 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.218 0.708 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.301 -1.106 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.443 0.089 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.413 1.689 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.930 1.437 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.956 0.419 -10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.258 -0.748 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.285 2.056 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.054 0.563 -12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.244 0.458 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.355 0.193 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.470 1.770 -11.838 1.00 0.00 H new ATOM 137 N LYS A 9 -7.304 -1.527 -5.757 1.00 0.00 N ATOM 138 CA LYS A 9 -8.295 -1.763 -4.721 1.00 0.00 C ATOM 139 C LYS A 9 -7.692 -1.420 -3.357 1.00 0.00 C ATOM 140 O LYS A 9 -8.144 -0.492 -2.690 1.00 0.00 O ATOM 141 CB LYS A 9 -8.836 -3.191 -4.813 1.00 0.00 C ATOM 142 CG LYS A 9 -10.360 -3.209 -4.681 1.00 0.00 C ATOM 143 CD LYS A 9 -11.022 -3.556 -6.017 1.00 0.00 C ATOM 144 CE LYS A 9 -12.136 -2.562 -6.351 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.856 -2.983 -7.574 1.00 0.00 N ATOM 0 H LYS A 9 -7.051 -2.352 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.157 -1.111 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.545 -3.633 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.392 -3.803 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.655 -3.937 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.711 -2.235 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.274 -3.550 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.431 -4.565 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.834 -2.494 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.713 -1.568 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.609 -2.298 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.190 -3.025 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.276 -3.923 -7.424 1.00 0.00 H new ATOM 158 N ILE A 10 -6.679 -2.189 -2.984 1.00 0.00 N ATOM 159 CA ILE A 10 -6.010 -1.979 -1.712 1.00 0.00 C ATOM 160 C ILE A 10 -5.681 -0.493 -1.553 1.00 0.00 C ATOM 161 O ILE A 10 -5.843 0.071 -0.472 1.00 0.00 O ATOM 162 CB ILE A 10 -4.790 -2.895 -1.590 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.212 -4.325 -1.245 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.783 -2.336 -0.583 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.095 -4.584 0.258 1.00 0.00 C ATOM 0 H ILE A 10 -6.306 -2.958 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.668 -2.251 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.291 -2.930 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.240 -4.492 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.588 -5.033 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.926 -3.006 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.449 -1.351 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.256 -2.252 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.401 -5.607 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.061 -4.439 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.739 -3.890 0.798 1.00 0.00 H new ATOM 177 N ILE A 11 -5.223 0.099 -2.647 1.00 0.00 N ATOM 178 CA ILE A 11 -4.870 1.508 -2.642 1.00 0.00 C ATOM 179 C ILE A 11 -6.061 2.327 -2.140 1.00 0.00 C ATOM 180 O ILE A 11 -5.894 3.243 -1.336 1.00 0.00 O ATOM 181 CB ILE A 11 -4.366 1.939 -4.022 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.135 1.129 -4.433 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.102 3.445 -4.064 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.849 1.799 -3.943 1.00 0.00 C ATOM 0 H ILE A 11 -5.089 -0.372 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.044 1.691 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.148 1.730 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.204 0.122 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.107 1.029 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.745 3.724 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.025 3.982 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.348 3.703 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.989 1.203 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.771 2.797 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.870 1.875 -2.856 1.00 0.00 H new ATOM 196 N GLY A 12 -7.236 1.967 -2.635 1.00 0.00 N ATOM 197 CA GLY A 12 -8.454 2.657 -2.246 1.00 0.00 C ATOM 198 C GLY A 12 -8.586 2.721 -0.723 1.00 0.00 C ATOM 199 O GLY A 12 -9.088 3.704 -0.180 1.00 0.00 O ATOM 0 H GLY A 12 -7.370 1.207 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.451 3.667 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.318 2.143 -2.668 1.00 0.00 H new ATOM 203 N GLN A 13 -8.127 1.660 -0.076 1.00 0.00 N ATOM 204 CA GLN A 13 -8.187 1.583 1.374 1.00 0.00 C ATOM 205 C GLN A 13 -7.118 2.483 1.998 1.00 0.00 C ATOM 206 O GLN A 13 -7.369 3.143 3.005 1.00 0.00 O ATOM 207 CB GLN A 13 -8.035 0.138 1.853 1.00 0.00 C ATOM 208 CG GLN A 13 -8.886 -0.120 3.098 1.00 0.00 C ATOM 209 CD GLN A 13 -8.030 -0.658 4.246 1.00 0.00 C ATOM 210 OE1 GLN A 13 -6.827 -0.827 4.131 1.00 0.00 O ATOM 211 NE2 GLN A 13 -8.715 -0.918 5.356 1.00 0.00 N ATOM 0 H GLN A 13 -7.712 0.846 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.166 1.937 1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.332 -0.546 1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.988 -0.067 2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.375 0.804 3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.675 -0.834 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.721 -0.754 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.234 -1.282 6.179 1.00 0.00 H new ATOM 220 N GLN A 14 -5.949 2.479 1.374 1.00 0.00 N ATOM 221 CA GLN A 14 -4.842 3.287 1.856 1.00 0.00 C ATOM 222 C GLN A 14 -5.264 4.753 1.968 1.00 0.00 C ATOM 223 O GLN A 14 -4.658 5.522 2.713 1.00 0.00 O ATOM 224 CB GLN A 14 -3.619 3.137 0.949 1.00 0.00 C ATOM 225 CG GLN A 14 -3.214 1.668 0.813 1.00 0.00 C ATOM 226 CD GLN A 14 -1.708 1.533 0.581 1.00 0.00 C ATOM 227 OE1 GLN A 14 -0.928 2.427 0.865 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.344 0.368 0.051 1.00 0.00 N ATOM 0 H GLN A 14 -5.745 1.929 0.539 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.564 2.932 2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.839 3.550 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.787 3.711 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.497 1.124 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.755 1.213 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.049 -0.338 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.360 0.180 -0.141 1.00 0.00 H new ATOM 237 N LEU A 15 -6.301 5.097 1.218 1.00 0.00 N ATOM 238 CA LEU A 15 -6.811 6.457 1.224 1.00 0.00 C ATOM 239 C LEU A 15 -8.335 6.425 1.350 1.00 0.00 C ATOM 240 O LEU A 15 -8.870 6.395 2.458 1.00 0.00 O ATOM 241 CB LEU A 15 -6.311 7.223 -0.003 1.00 0.00 C ATOM 242 CG LEU A 15 -5.964 6.374 -1.228 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.503 7.014 -2.509 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.459 6.114 -1.306 1.00 0.00 C ATOM 0 H LEU A 15 -6.802 4.457 0.602 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.431 7.002 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.074 7.946 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.426 7.791 0.284 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.453 5.405 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.243 6.391 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.587 7.104 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.064 8.004 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.239 5.509 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.929 7.064 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.134 5.584 -0.410 1.00 0.00 H new ATOM 256 N GLY A 16 -8.992 6.433 0.200 1.00 0.00 N ATOM 257 CA GLY A 16 -10.445 6.405 0.167 1.00 0.00 C ATOM 258 C GLY A 16 -10.974 6.946 -1.162 1.00 0.00 C ATOM 259 O GLY A 16 -11.935 7.713 -1.186 1.00 0.00 O ATOM 0 H GLY A 16 -8.545 6.458 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.796 5.383 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.842 6.999 0.990 1.00 0.00 H new ATOM 263 N VAL A 17 -10.324 6.524 -2.237 1.00 0.00 N ATOM 264 CA VAL A 17 -10.717 6.957 -3.567 1.00 0.00 C ATOM 265 C VAL A 17 -11.058 5.731 -4.417 1.00 0.00 C ATOM 266 O VAL A 17 -10.904 4.597 -3.967 1.00 0.00 O ATOM 267 CB VAL A 17 -9.616 7.823 -4.183 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.151 8.629 -5.368 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.990 8.743 -3.132 1.00 0.00 C ATOM 0 H VAL A 17 -9.528 5.887 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.611 7.578 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.836 7.159 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.348 9.236 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.528 7.948 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.959 9.279 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.211 9.348 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.757 9.396 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.556 8.141 -2.334 1.00 0.00 H new ATOM 279 N LYS A 18 -11.516 6.001 -5.631 1.00 0.00 N ATOM 280 CA LYS A 18 -11.880 4.935 -6.548 1.00 0.00 C ATOM 281 C LYS A 18 -10.635 4.475 -7.309 1.00 0.00 C ATOM 282 O LYS A 18 -9.539 4.443 -6.752 1.00 0.00 O ATOM 283 CB LYS A 18 -13.028 5.379 -7.457 1.00 0.00 C ATOM 284 CG LYS A 18 -13.969 4.211 -7.761 1.00 0.00 C ATOM 285 CD LYS A 18 -14.286 4.137 -9.256 1.00 0.00 C ATOM 286 CE LYS A 18 -15.796 4.099 -9.495 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.250 5.347 -10.148 1.00 0.00 N ATOM 0 H LYS A 18 -11.643 6.943 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.255 4.071 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.585 6.185 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.626 5.779 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.511 3.277 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.893 4.327 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.855 4.999 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.824 3.248 -9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.050 3.242 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.317 3.968 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.278 5.304 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.025 6.159 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.767 5.456 -11.062 1.00 0.00 H new ATOM 300 N GLN A 19 -10.846 4.132 -8.572 1.00 0.00 N ATOM 301 CA GLN A 19 -9.755 3.675 -9.415 1.00 0.00 C ATOM 302 C GLN A 19 -9.458 4.708 -10.504 1.00 0.00 C ATOM 303 O GLN A 19 -8.300 4.933 -10.852 1.00 0.00 O ATOM 304 CB GLN A 19 -10.069 2.309 -10.027 1.00 0.00 C ATOM 305 CG GLN A 19 -11.235 2.404 -11.013 1.00 0.00 C ATOM 306 CD GLN A 19 -10.732 2.673 -12.433 1.00 0.00 C ATOM 307 OE1 GLN A 19 -9.668 2.233 -12.836 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.554 3.419 -13.166 1.00 0.00 N ATOM 0 H GLN A 19 -11.756 4.162 -9.031 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.866 3.562 -8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.187 1.924 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.314 1.600 -9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.807 1.476 -10.996 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.912 3.201 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.430 3.755 -12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.308 3.655 -14.127 1.00 0.00 H new ATOM 317 N GLU A 20 -10.524 5.309 -11.011 1.00 0.00 N ATOM 318 CA GLU A 20 -10.392 6.313 -12.054 1.00 0.00 C ATOM 319 C GLU A 20 -9.813 7.606 -11.475 1.00 0.00 C ATOM 320 O GLU A 20 -9.154 8.366 -12.183 1.00 0.00 O ATOM 321 CB GLU A 20 -11.736 6.573 -12.738 1.00 0.00 C ATOM 322 CG GLU A 20 -11.626 6.381 -14.252 1.00 0.00 C ATOM 323 CD GLU A 20 -11.626 7.729 -14.977 1.00 0.00 C ATOM 324 OE1 GLU A 20 -10.553 8.254 -15.309 1.00 0.00 O ATOM 325 OE2 GLU A 20 -12.794 8.231 -15.194 1.00 0.00 O ATOM 0 H GLU A 20 -11.483 5.120 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.704 5.935 -12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.490 5.896 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.069 7.588 -12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.711 5.837 -14.488 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.458 5.773 -14.607 1.00 0.00 H new ATOM 333 N GLU A 21 -10.080 7.815 -10.194 1.00 0.00 N ATOM 334 CA GLU A 21 -9.593 9.002 -9.513 1.00 0.00 C ATOM 335 C GLU A 21 -8.138 8.808 -9.081 1.00 0.00 C ATOM 336 O GLU A 21 -7.460 9.769 -8.720 1.00 0.00 O ATOM 337 CB GLU A 21 -10.479 9.349 -8.314 1.00 0.00 C ATOM 338 CG GLU A 21 -11.504 10.423 -8.683 1.00 0.00 C ATOM 339 CD GLU A 21 -12.927 9.952 -8.373 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.246 9.667 -7.210 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.714 9.889 -9.394 1.00 0.00 O ATOM 0 H GLU A 21 -10.627 7.182 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.636 9.839 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.994 8.453 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.859 9.701 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.292 11.339 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.419 10.663 -9.743 1.00 0.00 H new ATOM 349 N VAL A 22 -7.701 7.558 -9.133 1.00 0.00 N ATOM 350 CA VAL A 22 -6.339 7.226 -8.751 1.00 0.00 C ATOM 351 C VAL A 22 -5.729 6.302 -9.808 1.00 0.00 C ATOM 352 O VAL A 22 -5.017 5.356 -9.474 1.00 0.00 O ATOM 353 CB VAL A 22 -6.322 6.620 -7.346 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.906 6.199 -6.948 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.914 7.591 -6.323 1.00 0.00 C ATOM 0 H VAL A 22 -8.266 6.764 -9.434 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.724 8.125 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.946 5.726 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.922 5.772 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.536 5.455 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.250 7.070 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.890 7.136 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.329 8.511 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.945 7.819 -6.592 1.00 0.00 H new ATOM 365 N THR A 23 -6.031 6.609 -11.061 1.00 0.00 N ATOM 366 CA THR A 23 -5.521 5.819 -12.169 1.00 0.00 C ATOM 367 C THR A 23 -4.074 5.399 -11.903 1.00 0.00 C ATOM 368 O THR A 23 -3.385 6.014 -11.091 1.00 0.00 O ATOM 369 CB THR A 23 -5.691 6.636 -13.451 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.429 7.977 -13.045 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.142 6.670 -13.935 1.00 0.00 C ATOM 0 H THR A 23 -6.622 7.394 -11.334 1.00 0.00 H new ATOM 0 HA THR A 23 -6.080 4.890 -12.283 1.00 0.00 H new ATOM 0 HB THR A 23 -5.057 6.220 -14.234 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.473 8.081 -12.857 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.207 7.263 -14.848 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.482 5.654 -14.137 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.772 7.117 -13.166 1.00 0.00 H new ATOM 379 N ASN A 24 -3.657 4.354 -12.603 1.00 0.00 N ATOM 380 CA ASN A 24 -2.304 3.845 -12.453 1.00 0.00 C ATOM 381 C ASN A 24 -1.310 4.891 -12.963 1.00 0.00 C ATOM 382 O ASN A 24 -0.773 4.759 -14.061 1.00 0.00 O ATOM 383 CB ASN A 24 -2.103 2.566 -13.268 1.00 0.00 C ATOM 384 CG ASN A 24 -2.605 2.745 -14.702 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.884 2.423 -14.872 1.00 0.00 O flip ATOM 386 ND2 ASN A 24 -1.879 3.150 -15.596 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.232 3.846 -13.275 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.140 3.630 -11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.046 2.300 -13.279 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.634 1.741 -12.793 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.905 3.380 -15.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.246 3.259 -16.541 1.00 0.00 H new ATOM 393 N ASN A 25 -1.097 5.908 -12.141 1.00 0.00 N ATOM 394 CA ASN A 25 -0.177 6.976 -12.494 1.00 0.00 C ATOM 395 C ASN A 25 -0.289 8.101 -11.464 1.00 0.00 C ATOM 396 O ASN A 25 0.694 8.782 -11.174 1.00 0.00 O ATOM 397 CB ASN A 25 -0.512 7.558 -13.869 1.00 0.00 C ATOM 398 CG ASN A 25 -2.009 7.442 -14.164 1.00 0.00 C ATOM 399 OD1 ASN A 25 -2.855 7.673 -13.315 1.00 0.00 O ATOM 400 ND2 ASN A 25 -2.288 7.072 -15.410 1.00 0.00 N ATOM 0 H ASN A 25 -1.546 6.015 -11.231 1.00 0.00 H new ATOM 0 HA ASN A 25 0.831 6.561 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.210 8.605 -13.908 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.055 7.034 -14.638 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.259 6.966 -15.705 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.532 6.894 -16.071 1.00 0.00 H new ATOM 407 N ALA A 26 -1.495 8.263 -10.939 1.00 0.00 N ATOM 408 CA ALA A 26 -1.748 9.294 -9.947 1.00 0.00 C ATOM 409 C ALA A 26 -0.552 9.385 -8.997 1.00 0.00 C ATOM 410 O ALA A 26 0.195 8.421 -8.838 1.00 0.00 O ATOM 411 CB ALA A 26 -3.054 8.986 -9.213 1.00 0.00 C ATOM 0 H ALA A 26 -2.308 7.697 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.864 10.267 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.244 9.759 -8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.876 8.961 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.974 8.018 -8.718 1.00 0.00 H new ATOM 417 N SER A 27 -0.408 10.554 -8.389 1.00 0.00 N ATOM 418 CA SER A 27 0.684 10.784 -7.459 1.00 0.00 C ATOM 419 C SER A 27 0.194 10.599 -6.021 1.00 0.00 C ATOM 420 O SER A 27 -0.929 10.150 -5.797 1.00 0.00 O ATOM 421 CB SER A 27 1.278 12.182 -7.642 1.00 0.00 C ATOM 422 OG SER A 27 2.554 12.141 -8.275 1.00 0.00 O ATOM 0 H SER A 27 -1.030 11.352 -8.523 1.00 0.00 H new ATOM 0 HA SER A 27 1.468 10.056 -7.665 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.597 12.790 -8.238 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.371 12.667 -6.670 1.00 0.00 H new ATOM 0 HG SER A 27 2.899 13.053 -8.375 1.00 0.00 H new ATOM 428 N PHE A 28 1.061 10.955 -5.084 1.00 0.00 N ATOM 429 CA PHE A 28 0.730 10.834 -3.675 1.00 0.00 C ATOM 430 C PHE A 28 0.936 12.165 -2.947 1.00 0.00 C ATOM 431 O PHE A 28 0.046 12.633 -2.239 1.00 0.00 O ATOM 432 CB PHE A 28 1.678 9.790 -3.081 1.00 0.00 C ATOM 433 CG PHE A 28 1.120 8.366 -3.089 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.676 7.817 -4.252 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.066 7.650 -1.935 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.157 6.495 -4.260 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.547 6.328 -1.942 1.00 0.00 C ATOM 438 CZ PHE A 28 0.104 5.778 -3.105 1.00 0.00 C ATOM 0 H PHE A 28 1.992 11.327 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.315 10.546 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.614 9.805 -3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.914 10.071 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.718 8.386 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.418 8.087 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.196 6.059 -5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.504 5.760 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.290 4.772 -3.111 1.00 0.00 H new ATOM 448 N VAL A 29 2.115 12.736 -3.147 1.00 0.00 N ATOM 449 CA VAL A 29 2.448 14.003 -2.520 1.00 0.00 C ATOM 450 C VAL A 29 1.712 15.134 -3.241 1.00 0.00 C ATOM 451 O VAL A 29 1.530 16.215 -2.683 1.00 0.00 O ATOM 452 CB VAL A 29 3.966 14.194 -2.501 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.351 15.453 -1.721 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.667 12.960 -1.930 1.00 0.00 C ATOM 0 H VAL A 29 2.851 12.344 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 29 2.119 14.013 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 29 4.300 14.323 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.435 15.565 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.895 16.325 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.997 15.367 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.745 13.122 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.324 12.786 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.432 12.091 -2.545 1.00 0.00 H new ATOM 464 N GLU A 30 1.309 14.846 -4.470 1.00 0.00 N ATOM 465 CA GLU A 30 0.597 15.826 -5.272 1.00 0.00 C ATOM 466 C GLU A 30 -0.901 15.516 -5.281 1.00 0.00 C ATOM 467 O GLU A 30 -1.713 16.370 -5.636 1.00 0.00 O ATOM 468 CB GLU A 30 1.155 15.877 -6.696 1.00 0.00 C ATOM 469 CG GLU A 30 1.786 17.240 -6.989 1.00 0.00 C ATOM 470 CD GLU A 30 0.826 18.129 -7.783 1.00 0.00 C ATOM 471 OE1 GLU A 30 0.293 17.697 -8.816 1.00 0.00 O ATOM 472 OE2 GLU A 30 0.642 19.307 -7.292 1.00 0.00 O ATOM 0 H GLU A 30 1.462 13.948 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 30 0.742 16.809 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.900 15.092 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.356 15.681 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.052 17.731 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.710 17.104 -7.551 1.00 0.00 H new ATOM 480 N ASP A 31 -1.223 14.293 -4.887 1.00 0.00 N ATOM 481 CA ASP A 31 -2.609 13.861 -4.845 1.00 0.00 C ATOM 482 C ASP A 31 -3.062 13.754 -3.388 1.00 0.00 C ATOM 483 O ASP A 31 -3.865 14.562 -2.923 1.00 0.00 O ATOM 484 CB ASP A 31 -2.777 12.485 -5.494 1.00 0.00 C ATOM 485 CG ASP A 31 -4.203 11.930 -5.473 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.132 12.575 -4.965 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.343 10.768 -6.016 1.00 0.00 O ATOM 0 H ASP A 31 -0.547 13.587 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.206 14.592 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.442 12.545 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.120 11.778 -4.987 1.00 0.00 H new ATOM 493 N LEU A 32 -2.528 12.751 -2.707 1.00 0.00 N ATOM 494 CA LEU A 32 -2.867 12.529 -1.312 1.00 0.00 C ATOM 495 C LEU A 32 -1.860 13.262 -0.423 1.00 0.00 C ATOM 496 O LEU A 32 -1.625 12.862 0.716 1.00 0.00 O ATOM 497 CB LEU A 32 -2.970 11.031 -1.017 1.00 0.00 C ATOM 498 CG LEU A 32 -4.354 10.404 -1.205 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.239 10.653 0.018 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.009 10.898 -2.497 1.00 0.00 C ATOM 0 H LEU A 32 -1.863 12.083 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.850 12.943 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.264 10.505 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.652 10.861 0.012 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.231 9.325 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.216 10.197 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.773 10.213 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.359 11.726 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.991 10.437 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.119 11.982 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.384 10.627 -3.348 1.00 0.00 H new ATOM 512 N GLY A 33 -1.292 14.322 -0.978 1.00 0.00 N ATOM 513 CA GLY A 33 -0.315 15.115 -0.251 1.00 0.00 C ATOM 514 C GLY A 33 0.595 14.222 0.595 1.00 0.00 C ATOM 515 O GLY A 33 1.089 14.645 1.639 1.00 0.00 O ATOM 0 H GLY A 33 -1.490 14.651 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.286 15.691 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.828 15.831 0.392 1.00 0.00 H new ATOM 519 N ALA A 34 0.788 13.003 0.114 1.00 0.00 N ATOM 520 CA ALA A 34 1.630 12.047 0.813 1.00 0.00 C ATOM 521 C ALA A 34 1.272 12.052 2.301 1.00 0.00 C ATOM 522 O ALA A 34 1.970 12.662 3.109 1.00 0.00 O ATOM 523 CB ALA A 34 3.101 12.385 0.566 1.00 0.00 C ATOM 0 H ALA A 34 0.376 12.655 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 34 1.460 11.038 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.732 11.668 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.310 12.339 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.310 13.389 0.934 1.00 0.00 H new ATOM 529 N ASP A 35 0.185 11.364 2.618 1.00 0.00 N ATOM 530 CA ASP A 35 -0.274 11.281 3.994 1.00 0.00 C ATOM 531 C ASP A 35 0.478 10.158 4.711 1.00 0.00 C ATOM 532 O ASP A 35 1.057 9.284 4.067 1.00 0.00 O ATOM 533 CB ASP A 35 -1.769 10.965 4.058 1.00 0.00 C ATOM 534 CG ASP A 35 -2.496 11.522 5.283 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.065 11.321 6.428 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.563 12.199 5.023 1.00 0.00 O ATOM 0 H ASP A 35 -0.391 10.859 1.945 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.089 12.244 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.247 11.358 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.897 9.883 4.039 1.00 0.00 H new ATOM 542 N SER A 36 0.446 10.218 6.034 1.00 0.00 N ATOM 543 CA SER A 36 1.117 9.217 6.845 1.00 0.00 C ATOM 544 C SER A 36 0.407 7.869 6.707 1.00 0.00 C ATOM 545 O SER A 36 1.050 6.845 6.481 1.00 0.00 O ATOM 546 CB SER A 36 1.167 9.642 8.314 1.00 0.00 C ATOM 547 OG SER A 36 2.493 9.954 8.735 1.00 0.00 O ATOM 0 H SER A 36 -0.034 10.945 6.565 1.00 0.00 H new ATOM 0 HA SER A 36 2.142 9.119 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.526 10.511 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.768 8.841 8.937 1.00 0.00 H new ATOM 0 HG SER A 36 2.482 10.222 9.677 1.00 0.00 H new ATOM 553 N LEU A 37 -0.910 7.913 6.848 1.00 0.00 N ATOM 554 CA LEU A 37 -1.714 6.707 6.742 1.00 0.00 C ATOM 555 C LEU A 37 -1.493 6.072 5.368 1.00 0.00 C ATOM 556 O LEU A 37 -1.507 4.849 5.236 1.00 0.00 O ATOM 557 CB LEU A 37 -3.182 7.014 7.049 1.00 0.00 C ATOM 558 CG LEU A 37 -3.459 7.687 8.394 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.872 8.273 8.433 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.207 6.721 9.553 1.00 0.00 C ATOM 0 H LEU A 37 -1.440 8.764 7.035 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.403 5.974 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.572 7.654 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.744 6.081 7.010 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.763 8.517 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.043 8.746 9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.980 9.015 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.601 7.476 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.411 7.225 10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.862 5.855 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.168 6.393 9.534 1.00 0.00 H new ATOM 572 N ASP A 38 -1.295 6.931 4.379 1.00 0.00 N ATOM 573 CA ASP A 38 -1.071 6.469 3.019 1.00 0.00 C ATOM 574 C ASP A 38 0.315 5.827 2.925 1.00 0.00 C ATOM 575 O ASP A 38 0.449 4.695 2.463 1.00 0.00 O ATOM 576 CB ASP A 38 -1.123 7.632 2.027 1.00 0.00 C ATOM 577 CG ASP A 38 -2.380 7.683 1.156 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.300 7.822 -0.074 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.493 7.573 1.799 1.00 0.00 O ATOM 0 H ASP A 38 -1.285 7.945 4.492 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.853 5.751 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.046 8.567 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.250 7.574 1.376 1.00 0.00 H new ATOM 585 N THR A 39 1.311 6.579 3.370 1.00 0.00 N ATOM 586 CA THR A 39 2.682 6.098 3.342 1.00 0.00 C ATOM 587 C THR A 39 2.847 4.902 4.282 1.00 0.00 C ATOM 588 O THR A 39 3.714 4.056 4.069 1.00 0.00 O ATOM 589 CB THR A 39 3.601 7.271 3.684 1.00 0.00 C ATOM 590 OG1 THR A 39 3.579 8.084 2.514 1.00 0.00 O ATOM 591 CG2 THR A 39 5.066 6.849 3.816 1.00 0.00 C ATOM 0 H THR A 39 1.196 7.518 3.752 1.00 0.00 H new ATOM 0 HA THR A 39 2.953 5.732 2.352 1.00 0.00 H new ATOM 0 HB THR A 39 3.270 7.730 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.149 8.869 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.675 7.720 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.161 6.107 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.407 6.420 2.874 1.00 0.00 H new ATOM 599 N VAL A 40 2.001 4.870 5.301 1.00 0.00 N ATOM 600 CA VAL A 40 2.043 3.792 6.274 1.00 0.00 C ATOM 601 C VAL A 40 1.252 2.597 5.739 1.00 0.00 C ATOM 602 O VAL A 40 1.673 1.451 5.889 1.00 0.00 O ATOM 603 CB VAL A 40 1.532 4.289 7.628 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.220 3.117 8.560 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.533 5.250 8.273 1.00 0.00 C ATOM 0 H VAL A 40 1.283 5.573 5.474 1.00 0.00 H new ATOM 0 HA VAL A 40 3.069 3.459 6.431 1.00 0.00 H new ATOM 0 HB VAL A 40 0.605 4.836 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.859 3.498 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.454 2.486 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.124 2.530 8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.145 5.588 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.483 4.738 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.685 6.110 7.620 1.00 0.00 H new ATOM 615 N GLU A 41 0.118 2.905 5.126 1.00 0.00 N ATOM 616 CA GLU A 41 -0.736 1.871 4.568 1.00 0.00 C ATOM 617 C GLU A 41 0.000 1.117 3.458 1.00 0.00 C ATOM 618 O GLU A 41 -0.385 0.005 3.098 1.00 0.00 O ATOM 619 CB GLU A 41 -2.048 2.463 4.051 1.00 0.00 C ATOM 620 CG GLU A 41 -3.065 2.616 5.184 1.00 0.00 C ATOM 621 CD GLU A 41 -4.306 1.760 4.927 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.228 0.757 4.202 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.381 2.168 5.511 1.00 0.00 O ATOM 0 H GLU A 41 -0.229 3.856 5.004 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.982 1.164 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.858 3.434 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.459 1.820 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.608 2.325 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.354 3.663 5.279 1.00 0.00 H new ATOM 631 N LEU A 42 1.045 1.751 2.948 1.00 0.00 N ATOM 632 CA LEU A 42 1.838 1.154 1.887 1.00 0.00 C ATOM 633 C LEU A 42 2.787 0.115 2.488 1.00 0.00 C ATOM 634 O LEU A 42 3.161 -0.848 1.821 1.00 0.00 O ATOM 635 CB LEU A 42 2.548 2.238 1.073 1.00 0.00 C ATOM 636 CG LEU A 42 2.652 1.987 -0.432 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.937 3.085 -1.222 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.112 1.830 -0.862 1.00 0.00 C ATOM 0 H LEU A 42 1.361 2.673 3.250 1.00 0.00 H new ATOM 0 HA LEU A 42 1.195 0.628 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.025 3.182 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.555 2.362 1.471 1.00 0.00 H new ATOM 0 HG LEU A 42 2.147 1.048 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.026 2.882 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.883 3.106 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.391 4.050 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.158 1.652 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.662 2.739 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.558 0.986 -0.336 1.00 0.00 H new ATOM 650 N VAL A 43 3.149 0.347 3.741 1.00 0.00 N ATOM 651 CA VAL A 43 4.048 -0.556 4.440 1.00 0.00 C ATOM 652 C VAL A 43 3.245 -1.727 5.010 1.00 0.00 C ATOM 653 O VAL A 43 3.792 -2.804 5.244 1.00 0.00 O ATOM 654 CB VAL A 43 4.831 0.208 5.509 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.946 -0.660 6.097 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.392 1.516 4.948 1.00 0.00 C ATOM 0 H VAL A 43 2.836 1.147 4.291 1.00 0.00 H new ATOM 0 HA VAL A 43 4.784 -0.970 3.751 1.00 0.00 H new ATOM 0 HB VAL A 43 4.141 0.458 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.487 -0.093 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.512 -1.551 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.634 -0.955 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.944 2.039 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.060 1.298 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.572 2.144 4.600 1.00 0.00 H new ATOM 666 N MET A 44 1.960 -1.478 5.216 1.00 0.00 N ATOM 667 CA MET A 44 1.076 -2.498 5.755 1.00 0.00 C ATOM 668 C MET A 44 0.335 -3.228 4.633 1.00 0.00 C ATOM 669 O MET A 44 0.141 -4.441 4.699 1.00 0.00 O ATOM 670 CB MET A 44 0.063 -1.849 6.699 1.00 0.00 C ATOM 671 CG MET A 44 0.762 -1.221 7.907 1.00 0.00 C ATOM 672 SD MET A 44 -0.440 -0.794 9.155 1.00 0.00 S ATOM 673 CE MET A 44 0.650 -0.343 10.494 1.00 0.00 C ATOM 0 H MET A 44 1.510 -0.584 5.019 1.00 0.00 H new ATOM 0 HA MET A 44 1.679 -3.224 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.501 -1.085 6.163 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.654 -2.596 7.038 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.493 -1.918 8.318 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.310 -0.331 7.598 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.059 -0.047 11.361 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.277 -1.196 10.756 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.282 0.490 10.184 1.00 0.00 H new ATOM 683 N ALA A 45 -0.060 -2.458 3.629 1.00 0.00 N ATOM 684 CA ALA A 45 -0.776 -3.016 2.495 1.00 0.00 C ATOM 685 C ALA A 45 0.086 -4.094 1.833 1.00 0.00 C ATOM 686 O ALA A 45 -0.393 -5.192 1.554 1.00 0.00 O ATOM 687 CB ALA A 45 -1.151 -1.894 1.525 1.00 0.00 C ATOM 0 H ALA A 45 0.103 -1.452 3.578 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.702 -3.488 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.688 -2.313 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.787 -1.170 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.246 -1.399 1.174 1.00 0.00 H new ATOM 693 N LEU A 46 1.342 -3.743 1.602 1.00 0.00 N ATOM 694 CA LEU A 46 2.275 -4.666 0.979 1.00 0.00 C ATOM 695 C LEU A 46 2.563 -5.820 1.942 1.00 0.00 C ATOM 696 O LEU A 46 2.775 -6.953 1.512 1.00 0.00 O ATOM 697 CB LEU A 46 3.530 -3.927 0.513 1.00 0.00 C ATOM 698 CG LEU A 46 3.314 -2.833 -0.536 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.641 -2.408 -1.166 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.296 -3.277 -1.588 1.00 0.00 C ATOM 0 H LEU A 46 1.736 -2.831 1.835 1.00 0.00 H new ATOM 0 HA LEU A 46 1.838 -5.101 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.008 -3.478 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.229 -4.659 0.108 1.00 0.00 H new ATOM 0 HG LEU A 46 2.900 -1.957 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.459 -1.630 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.305 -2.023 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.106 -3.267 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.161 -2.482 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.658 -4.175 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.343 -3.491 -1.104 1.00 0.00 H new ATOM 712 N GLU A 47 2.562 -5.492 3.225 1.00 0.00 N ATOM 713 CA GLU A 47 2.820 -6.487 4.252 1.00 0.00 C ATOM 714 C GLU A 47 1.686 -7.513 4.296 1.00 0.00 C ATOM 715 O GLU A 47 1.932 -8.718 4.274 1.00 0.00 O ATOM 716 CB GLU A 47 3.015 -5.827 5.619 1.00 0.00 C ATOM 717 CG GLU A 47 4.412 -6.115 6.172 1.00 0.00 C ATOM 718 CD GLU A 47 4.333 -6.720 7.575 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.302 -7.304 7.941 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.391 -6.566 8.296 1.00 0.00 O ATOM 0 H GLU A 47 2.387 -4.551 3.577 1.00 0.00 H new ATOM 0 HA GLU A 47 3.744 -7.007 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.870 -4.750 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.261 -6.195 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.936 -6.800 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.992 -5.193 6.202 1.00 0.00 H new ATOM 728 N GLU A 48 0.467 -6.997 4.356 1.00 0.00 N ATOM 729 CA GLU A 48 -0.706 -7.853 4.403 1.00 0.00 C ATOM 730 C GLU A 48 -0.875 -8.595 3.076 1.00 0.00 C ATOM 731 O GLU A 48 -1.654 -9.542 2.985 1.00 0.00 O ATOM 732 CB GLU A 48 -1.961 -7.046 4.744 1.00 0.00 C ATOM 733 CG GLU A 48 -2.891 -7.840 5.663 1.00 0.00 C ATOM 734 CD GLU A 48 -4.322 -7.845 5.123 1.00 0.00 C ATOM 735 OE1 GLU A 48 -5.110 -6.943 5.446 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.606 -8.830 4.340 1.00 0.00 O ATOM 0 H GLU A 48 0.266 -5.997 4.373 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.562 -8.590 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.676 -6.112 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.488 -6.782 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.530 -8.864 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.877 -7.406 6.663 1.00 0.00 H new ATOM 744 N GLU A 49 -0.133 -8.135 2.079 1.00 0.00 N ATOM 745 CA GLU A 49 -0.191 -8.743 0.761 1.00 0.00 C ATOM 746 C GLU A 49 0.785 -9.919 0.675 1.00 0.00 C ATOM 747 O GLU A 49 0.367 -11.068 0.544 1.00 0.00 O ATOM 748 CB GLU A 49 0.096 -7.712 -0.332 1.00 0.00 C ATOM 749 CG GLU A 49 -0.597 -8.092 -1.642 1.00 0.00 C ATOM 750 CD GLU A 49 0.417 -8.233 -2.779 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.563 -7.778 -2.647 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.022 -8.842 -3.828 1.00 0.00 O ATOM 0 H GLU A 49 0.511 -7.348 2.158 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.201 -9.121 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.246 -6.729 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.171 -7.638 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.137 -9.030 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.335 -7.333 -1.900 1.00 0.00 H new ATOM 760 N PHE A 50 2.066 -9.590 0.752 1.00 0.00 N ATOM 761 CA PHE A 50 3.104 -10.604 0.685 1.00 0.00 C ATOM 762 C PHE A 50 4.138 -10.405 1.795 1.00 0.00 C ATOM 763 O PHE A 50 5.302 -10.769 1.637 1.00 0.00 O ATOM 764 CB PHE A 50 3.794 -10.449 -0.672 1.00 0.00 C ATOM 765 CG PHE A 50 3.369 -11.490 -1.709 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.013 -12.686 -1.776 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.346 -11.220 -2.564 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.619 -13.652 -2.739 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.951 -12.187 -3.526 1.00 0.00 C ATOM 770 CZ PHE A 50 2.596 -13.382 -3.594 1.00 0.00 C ATOM 0 H PHE A 50 2.409 -8.635 0.860 1.00 0.00 H new ATOM 0 HA PHE A 50 2.665 -11.594 0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.583 -9.454 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.873 -10.513 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.824 -12.901 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.834 -10.270 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.131 -14.601 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.138 -11.973 -4.204 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.296 -14.117 -4.327 1.00 0.00 H new ATOM 780 N ASP A 51 3.675 -9.828 2.894 1.00 0.00 N ATOM 781 CA ASP A 51 4.545 -9.576 4.030 1.00 0.00 C ATOM 782 C ASP A 51 5.924 -9.146 3.526 1.00 0.00 C ATOM 783 O ASP A 51 6.916 -9.834 3.759 1.00 0.00 O ATOM 784 CB ASP A 51 4.723 -10.837 4.878 1.00 0.00 C ATOM 785 CG ASP A 51 5.829 -10.757 5.932 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.123 -9.678 6.468 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.408 -11.878 6.201 1.00 0.00 O ATOM 0 H ASP A 51 2.709 -9.528 3.022 1.00 0.00 H new ATOM 0 HA ASP A 51 4.088 -8.795 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.780 -11.056 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.934 -11.676 4.215 1.00 0.00 H new ATOM 793 N THR A 52 5.941 -8.010 2.843 1.00 0.00 N ATOM 794 CA THR A 52 7.182 -7.480 2.304 1.00 0.00 C ATOM 795 C THR A 52 7.653 -6.282 3.130 1.00 0.00 C ATOM 796 O THR A 52 8.821 -5.900 3.065 1.00 0.00 O ATOM 797 CB THR A 52 6.953 -7.149 0.828 1.00 0.00 C ATOM 798 OG1 THR A 52 8.232 -7.334 0.228 1.00 0.00 O ATOM 799 CG2 THR A 52 6.645 -5.668 0.601 1.00 0.00 C ATOM 0 H THR A 52 5.116 -7.443 2.651 1.00 0.00 H new ATOM 0 HA THR A 52 7.986 -8.214 2.366 1.00 0.00 H new ATOM 0 HB THR A 52 6.131 -7.753 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.174 -7.142 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.491 -5.487 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.743 -5.396 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.481 -5.064 0.954 1.00 0.00 H new ATOM 807 N GLU A 53 6.721 -5.722 3.886 1.00 0.00 N ATOM 808 CA GLU A 53 7.027 -4.574 4.723 1.00 0.00 C ATOM 809 C GLU A 53 7.937 -3.598 3.975 1.00 0.00 C ATOM 810 O GLU A 53 9.160 -3.726 4.020 1.00 0.00 O ATOM 811 CB GLU A 53 7.661 -5.013 6.045 1.00 0.00 C ATOM 812 CG GLU A 53 8.789 -6.019 5.804 1.00 0.00 C ATOM 813 CD GLU A 53 9.468 -6.406 7.119 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.883 -7.143 7.926 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.648 -5.912 7.289 1.00 0.00 O ATOM 0 H GLU A 53 5.754 -6.041 3.937 1.00 0.00 H new ATOM 0 HA GLU A 53 6.094 -4.061 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.052 -4.142 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.901 -5.460 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.389 -6.910 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.524 -5.590 5.123 1.00 0.00 H new ATOM 823 N ILE A 54 7.306 -2.646 3.305 1.00 0.00 N ATOM 824 CA ILE A 54 8.045 -1.649 2.548 1.00 0.00 C ATOM 825 C ILE A 54 8.543 -0.559 3.499 1.00 0.00 C ATOM 826 O ILE A 54 7.808 -0.114 4.378 1.00 0.00 O ATOM 827 CB ILE A 54 7.195 -1.116 1.393 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.571 -1.796 0.075 1.00 0.00 C ATOM 829 CG2 ILE A 54 7.291 0.408 1.299 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.952 -1.342 -0.402 1.00 0.00 C ATOM 0 H ILE A 54 6.292 -2.543 3.270 1.00 0.00 H new ATOM 0 HA ILE A 54 8.925 -2.096 2.086 1.00 0.00 H new ATOM 0 HB ILE A 54 6.152 -1.361 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.565 -2.878 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.825 -1.562 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.678 0.761 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.936 0.853 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.328 0.698 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.195 -1.840 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.948 -0.263 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.699 -1.599 0.349 1.00 0.00 H new ATOM 842 N PRO A 55 9.822 -0.150 3.284 1.00 0.00 N ATOM 843 CA PRO A 55 10.428 0.879 4.111 1.00 0.00 C ATOM 844 C PRO A 55 9.888 2.264 3.747 1.00 0.00 C ATOM 845 O PRO A 55 8.874 2.377 3.060 1.00 0.00 O ATOM 846 CB PRO A 55 11.924 0.744 3.875 1.00 0.00 C ATOM 847 CG PRO A 55 12.072 -0.038 2.581 1.00 0.00 C ATOM 848 CD PRO A 55 10.723 -0.655 2.251 1.00 0.00 C ATOM 0 HA PRO A 55 10.193 0.761 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.397 1.723 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.405 0.223 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.399 0.618 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.830 -0.814 2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.387 -0.364 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.771 -1.744 2.265 1.00 0.00 H new ATOM 856 N ASP A 56 10.589 3.281 4.225 1.00 0.00 N ATOM 857 CA ASP A 56 10.192 4.654 3.959 1.00 0.00 C ATOM 858 C ASP A 56 11.031 5.208 2.806 1.00 0.00 C ATOM 859 O ASP A 56 10.692 6.239 2.226 1.00 0.00 O ATOM 860 CB ASP A 56 10.425 5.542 5.183 1.00 0.00 C ATOM 861 CG ASP A 56 9.212 6.362 5.627 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.573 6.057 6.644 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.927 7.367 4.870 1.00 0.00 O ATOM 0 H ASP A 56 11.429 3.183 4.795 1.00 0.00 H new ATOM 0 HA ASP A 56 9.131 4.656 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.743 4.913 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.247 6.225 4.967 1.00 0.00 H new ATOM 869 N GLU A 57 12.110 4.499 2.507 1.00 0.00 N ATOM 870 CA GLU A 57 13.000 4.907 1.434 1.00 0.00 C ATOM 871 C GLU A 57 12.468 4.414 0.087 1.00 0.00 C ATOM 872 O GLU A 57 12.569 5.115 -0.919 1.00 0.00 O ATOM 873 CB GLU A 57 14.423 4.402 1.680 1.00 0.00 C ATOM 874 CG GLU A 57 14.418 2.932 2.102 1.00 0.00 C ATOM 875 CD GLU A 57 15.773 2.278 1.828 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.443 2.628 0.845 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.125 1.375 2.679 1.00 0.00 O ATOM 0 H GLU A 57 12.388 3.644 2.990 1.00 0.00 H new ATOM 0 HA GLU A 57 13.035 5.996 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.017 4.522 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.898 5.005 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.181 2.856 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.636 2.398 1.562 1.00 0.00 H new ATOM 885 N GLU A 58 11.914 3.211 0.111 1.00 0.00 N ATOM 886 CA GLU A 58 11.366 2.615 -1.096 1.00 0.00 C ATOM 887 C GLU A 58 9.962 3.161 -1.368 1.00 0.00 C ATOM 888 O GLU A 58 9.432 3.001 -2.466 1.00 0.00 O ATOM 889 CB GLU A 58 11.351 1.088 -0.996 1.00 0.00 C ATOM 890 CG GLU A 58 12.468 0.472 -1.841 1.00 0.00 C ATOM 891 CD GLU A 58 11.893 -0.378 -2.975 1.00 0.00 C ATOM 892 OE1 GLU A 58 10.724 -0.787 -2.912 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.706 -0.609 -3.950 1.00 0.00 O ATOM 0 H GLU A 58 11.833 2.633 0.947 1.00 0.00 H new ATOM 0 HA GLU A 58 12.008 2.885 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.469 0.787 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.386 0.708 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.093 1.263 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.109 -0.143 -1.210 1.00 0.00 H new ATOM 901 N ALA A 59 9.401 3.794 -0.348 1.00 0.00 N ATOM 902 CA ALA A 59 8.069 4.364 -0.463 1.00 0.00 C ATOM 903 C ALA A 59 8.117 5.574 -1.398 1.00 0.00 C ATOM 904 O ALA A 59 7.250 5.735 -2.256 1.00 0.00 O ATOM 905 CB ALA A 59 7.546 4.722 0.929 1.00 0.00 C ATOM 0 H ALA A 59 9.844 3.925 0.561 1.00 0.00 H new ATOM 0 HA ALA A 59 7.377 3.641 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.547 5.150 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.505 3.823 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.213 5.449 1.393 1.00 0.00 H new ATOM 911 N GLU A 60 9.137 6.396 -1.199 1.00 0.00 N ATOM 912 CA GLU A 60 9.309 7.587 -2.014 1.00 0.00 C ATOM 913 C GLU A 60 9.306 7.219 -3.499 1.00 0.00 C ATOM 914 O GLU A 60 8.696 7.912 -4.312 1.00 0.00 O ATOM 915 CB GLU A 60 10.591 8.330 -1.635 1.00 0.00 C ATOM 916 CG GLU A 60 10.420 9.841 -1.803 1.00 0.00 C ATOM 917 CD GLU A 60 10.765 10.579 -0.508 1.00 0.00 C ATOM 918 OE1 GLU A 60 9.862 11.083 0.177 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.022 10.619 -0.222 1.00 0.00 O ATOM 0 H GLU A 60 9.853 6.261 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 60 8.471 8.257 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.855 8.103 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.415 7.982 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.061 10.196 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.393 10.065 -2.091 1.00 0.00 H new ATOM 927 N LYS A 61 9.994 6.130 -3.807 1.00 0.00 N ATOM 928 CA LYS A 61 10.079 5.662 -5.181 1.00 0.00 C ATOM 929 C LYS A 61 8.780 4.945 -5.551 1.00 0.00 C ATOM 930 O LYS A 61 8.650 4.419 -6.656 1.00 0.00 O ATOM 931 CB LYS A 61 11.332 4.807 -5.379 1.00 0.00 C ATOM 932 CG LYS A 61 10.995 3.316 -5.310 1.00 0.00 C ATOM 933 CD LYS A 61 12.252 2.461 -5.485 1.00 0.00 C ATOM 934 CE LYS A 61 12.019 1.348 -6.507 1.00 0.00 C ATOM 935 NZ LYS A 61 11.570 1.915 -7.798 1.00 0.00 N ATOM 0 H LYS A 61 10.498 5.558 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 61 10.185 6.504 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.785 5.037 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.069 5.053 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.527 3.089 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.271 3.067 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.082 3.089 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.537 2.026 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.939 0.781 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.271 0.651 -6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.960 1.351 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.531 1.897 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.903 2.897 -7.880 1.00 0.00 H new ATOM 948 N ILE A 62 7.850 4.946 -4.607 1.00 0.00 N ATOM 949 CA ILE A 62 6.566 4.301 -4.820 1.00 0.00 C ATOM 950 C ILE A 62 5.445 5.264 -4.424 1.00 0.00 C ATOM 951 O ILE A 62 4.385 4.836 -3.970 1.00 0.00 O ATOM 952 CB ILE A 62 6.511 2.960 -4.086 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.591 2.007 -4.604 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.113 2.343 -4.174 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.553 0.675 -3.853 1.00 0.00 C ATOM 0 H ILE A 62 7.961 5.384 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 62 6.429 4.066 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 62 6.718 3.140 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.446 1.832 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.573 2.466 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.102 1.391 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.388 3.019 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.853 2.179 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.330 0.016 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.723 0.851 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.578 0.207 -3.992 1.00 0.00 H new ATOM 967 N THR A 63 5.717 6.547 -4.611 1.00 0.00 N ATOM 968 CA THR A 63 4.745 7.575 -4.279 1.00 0.00 C ATOM 969 C THR A 63 3.696 7.694 -5.387 1.00 0.00 C ATOM 970 O THR A 63 3.002 8.705 -5.484 1.00 0.00 O ATOM 971 CB THR A 63 5.504 8.878 -4.018 1.00 0.00 C ATOM 972 OG1 THR A 63 6.466 8.935 -5.067 1.00 0.00 O ATOM 973 CG2 THR A 63 6.346 8.819 -2.742 1.00 0.00 C ATOM 0 H THR A 63 6.597 6.898 -4.988 1.00 0.00 H new ATOM 0 HA THR A 63 4.191 7.319 -3.376 1.00 0.00 H new ATOM 0 HB THR A 63 4.795 9.703 -3.947 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.367 8.865 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.864 9.768 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.697 8.631 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.078 8.015 -2.826 1.00 0.00 H new ATOM 981 N THR A 64 3.613 6.647 -6.195 1.00 0.00 N ATOM 982 CA THR A 64 2.661 6.622 -7.292 1.00 0.00 C ATOM 983 C THR A 64 1.691 5.449 -7.129 1.00 0.00 C ATOM 984 O THR A 64 1.502 4.944 -6.024 1.00 0.00 O ATOM 985 CB THR A 64 3.450 6.581 -8.602 1.00 0.00 C ATOM 986 OG1 THR A 64 4.097 5.312 -8.578 1.00 0.00 O ATOM 987 CG2 THR A 64 4.602 7.587 -8.623 1.00 0.00 C ATOM 0 H THR A 64 4.190 5.810 -6.112 1.00 0.00 H new ATOM 0 HA THR A 64 2.040 7.518 -7.298 1.00 0.00 H new ATOM 0 HB THR A 64 2.778 6.781 -9.437 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.604 5.188 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.129 7.517 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.207 8.595 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.292 7.367 -7.809 1.00 0.00 H new ATOM 995 N VAL A 65 1.104 5.050 -8.248 1.00 0.00 N ATOM 996 CA VAL A 65 0.159 3.946 -8.243 1.00 0.00 C ATOM 997 C VAL A 65 0.767 2.757 -8.990 1.00 0.00 C ATOM 998 O VAL A 65 0.790 1.641 -8.474 1.00 0.00 O ATOM 999 CB VAL A 65 -1.179 4.400 -8.831 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.126 3.214 -9.019 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.822 5.481 -7.959 1.00 0.00 C ATOM 0 H VAL A 65 1.264 5.471 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.043 3.621 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.984 4.832 -9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.069 3.564 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.674 2.491 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.311 2.740 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.771 5.786 -8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.996 5.085 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.157 6.342 -7.898 1.00 0.00 H new ATOM 1011 N GLN A 66 1.243 3.037 -10.194 1.00 0.00 N ATOM 1012 CA GLN A 66 1.850 2.004 -11.018 1.00 0.00 C ATOM 1013 C GLN A 66 3.086 1.430 -10.324 1.00 0.00 C ATOM 1014 O GLN A 66 3.600 0.387 -10.726 1.00 0.00 O ATOM 1015 CB GLN A 66 2.201 2.545 -12.405 1.00 0.00 C ATOM 1016 CG GLN A 66 2.595 1.410 -13.352 1.00 0.00 C ATOM 1017 CD GLN A 66 1.477 1.120 -14.356 1.00 0.00 C ATOM 1018 OE1 GLN A 66 1.340 1.773 -15.378 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.688 0.108 -14.009 1.00 0.00 N ATOM 0 H GLN A 66 1.221 3.964 -10.619 1.00 0.00 H new ATOM 0 HA GLN A 66 1.126 1.200 -11.151 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.348 3.086 -12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.022 3.258 -12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.507 1.677 -13.885 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.814 0.511 -12.776 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.859 -0.397 -13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.088 -0.164 -14.613 1.00 0.00 H new ATOM 1028 N ALA A 67 3.529 2.136 -9.294 1.00 0.00 N ATOM 1029 CA ALA A 67 4.696 1.710 -8.540 1.00 0.00 C ATOM 1030 C ALA A 67 4.322 0.512 -7.665 1.00 0.00 C ATOM 1031 O ALA A 67 5.155 -0.356 -7.407 1.00 0.00 O ATOM 1032 CB ALA A 67 5.232 2.886 -7.721 1.00 0.00 C ATOM 0 H ALA A 67 3.101 3.001 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 67 5.493 1.392 -9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.107 2.567 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.510 3.699 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.461 3.231 -7.032 1.00 0.00 H new ATOM 1038 N ALA A 68 3.071 0.504 -7.231 1.00 0.00 N ATOM 1039 CA ALA A 68 2.577 -0.573 -6.390 1.00 0.00 C ATOM 1040 C ALA A 68 2.046 -1.703 -7.275 1.00 0.00 C ATOM 1041 O ALA A 68 1.543 -2.706 -6.772 1.00 0.00 O ATOM 1042 CB ALA A 68 1.511 -0.030 -5.437 1.00 0.00 C ATOM 0 H ALA A 68 2.384 1.227 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 68 3.382 -0.982 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.141 -0.838 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.946 0.749 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.686 0.387 -6.014 1.00 0.00 H new ATOM 1048 N ILE A 69 2.178 -1.503 -8.578 1.00 0.00 N ATOM 1049 CA ILE A 69 1.718 -2.493 -9.538 1.00 0.00 C ATOM 1050 C ILE A 69 2.925 -3.105 -10.250 1.00 0.00 C ATOM 1051 O ILE A 69 2.850 -4.223 -10.757 1.00 0.00 O ATOM 1052 CB ILE A 69 0.689 -1.879 -10.489 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.662 -1.699 -9.794 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.569 -2.703 -11.773 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.828 -0.268 -9.279 1.00 0.00 C ATOM 0 H ILE A 69 2.597 -0.670 -8.992 1.00 0.00 H new ATOM 0 HA ILE A 69 1.201 -3.307 -9.029 1.00 0.00 H new ATOM 0 HB ILE A 69 1.038 -0.887 -10.775 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.467 -1.934 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.744 -2.400 -8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.169 -2.245 -12.432 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.535 -2.735 -12.277 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.255 -3.717 -11.526 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.797 -0.168 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.036 -0.044 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.770 0.429 -10.115 1.00 0.00 H new ATOM 1067 N ASP A 70 4.012 -2.347 -10.265 1.00 0.00 N ATOM 1068 CA ASP A 70 5.233 -2.801 -10.906 1.00 0.00 C ATOM 1069 C ASP A 70 6.076 -3.580 -9.894 1.00 0.00 C ATOM 1070 O ASP A 70 6.878 -4.432 -10.274 1.00 0.00 O ATOM 1071 CB ASP A 70 6.066 -1.619 -11.405 1.00 0.00 C ATOM 1072 CG ASP A 70 7.236 -1.992 -12.318 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.513 -3.178 -12.549 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.886 -0.990 -12.808 1.00 0.00 O ATOM 0 H ASP A 70 4.072 -1.420 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 70 4.956 -3.429 -11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.411 -0.933 -11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.456 -1.079 -10.542 1.00 0.00 H new ATOM 1080 N TYR A 71 5.866 -3.259 -8.626 1.00 0.00 N ATOM 1081 CA TYR A 71 6.597 -3.918 -7.557 1.00 0.00 C ATOM 1082 C TYR A 71 5.959 -5.263 -7.205 1.00 0.00 C ATOM 1083 O TYR A 71 6.660 -6.258 -7.022 1.00 0.00 O ATOM 1084 CB TYR A 71 6.500 -2.989 -6.345 1.00 0.00 C ATOM 1085 CG TYR A 71 7.616 -3.188 -5.317 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.885 -2.711 -5.575 1.00 0.00 C ATOM 1087 CD2 TYR A 71 7.353 -3.844 -4.132 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.935 -2.898 -4.608 1.00 0.00 C ATOM 1089 CE2 TYR A 71 8.403 -4.032 -3.165 1.00 0.00 C ATOM 1090 CZ TYR A 71 9.642 -3.549 -3.450 1.00 0.00 C ATOM 1091 OH TYR A 71 10.634 -3.726 -2.537 1.00 0.00 O ATOM 0 H TYR A 71 5.200 -2.552 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 71 7.627 -4.108 -7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.518 -1.955 -6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.538 -3.145 -5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.090 -2.197 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.360 -4.216 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.932 -2.530 -4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.211 -4.545 -2.234 1.00 0.00 H new ATOM 0 HH TYR A 71 11.023 -2.857 -2.304 1.00 0.00 H new ATOM 1101 N ILE A 72 4.637 -5.252 -7.120 1.00 0.00 N ATOM 1102 CA ILE A 72 3.897 -6.458 -6.794 1.00 0.00 C ATOM 1103 C ILE A 72 4.001 -7.446 -7.957 1.00 0.00 C ATOM 1104 O ILE A 72 4.040 -8.658 -7.747 1.00 0.00 O ATOM 1105 CB ILE A 72 2.457 -6.116 -6.405 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.424 -5.033 -5.325 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.690 -7.370 -5.983 1.00 0.00 C ATOM 1108 CD1 ILE A 72 2.989 -5.558 -4.004 1.00 0.00 C ATOM 0 H ILE A 72 4.059 -4.425 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 72 4.331 -6.946 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 72 1.953 -5.711 -7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.002 -4.169 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.399 -4.693 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.670 -7.098 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.669 -8.079 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.184 -7.827 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.954 -4.768 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.394 -6.407 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.022 -5.874 -4.150 1.00 0.00 H new ATOM 1120 N ASN A 73 4.044 -6.892 -9.160 1.00 0.00 N ATOM 1121 CA ASN A 73 4.143 -7.709 -10.358 1.00 0.00 C ATOM 1122 C ASN A 73 5.347 -8.645 -10.233 1.00 0.00 C ATOM 1123 O ASN A 73 5.424 -9.659 -10.926 1.00 0.00 O ATOM 1124 CB ASN A 73 4.346 -6.842 -11.601 1.00 0.00 C ATOM 1125 CG ASN A 73 3.320 -7.186 -12.683 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.571 -7.965 -13.588 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.154 -6.563 -12.540 1.00 0.00 N ATOM 0 H ASN A 73 4.012 -5.887 -9.331 1.00 0.00 H new ATOM 0 HA ASN A 73 3.216 -8.273 -10.459 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.258 -5.789 -11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.353 -6.988 -11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.403 -6.725 -13.211 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.010 -5.923 -11.759 1.00 0.00 H new ATOM 1134 N GLY A 74 6.256 -8.272 -9.344 1.00 0.00 N ATOM 1135 CA GLY A 74 7.453 -9.066 -9.120 1.00 0.00 C ATOM 1136 C GLY A 74 7.129 -10.332 -8.324 1.00 0.00 C ATOM 1137 O GLY A 74 8.004 -11.166 -8.095 1.00 0.00 O ATOM 0 H GLY A 74 6.188 -7.431 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.898 -9.338 -10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.192 -8.473 -8.582 1.00 0.00 H new ATOM 1141 N HIS A 75 5.871 -10.436 -7.924 1.00 0.00 N ATOM 1142 CA HIS A 75 5.421 -11.586 -7.158 1.00 0.00 C ATOM 1143 C HIS A 75 4.936 -12.680 -8.112 1.00 0.00 C ATOM 1144 O HIS A 75 5.502 -13.771 -8.150 1.00 0.00 O ATOM 1145 CB HIS A 75 4.358 -11.177 -6.136 1.00 0.00 C ATOM 1146 CG HIS A 75 2.995 -11.773 -6.396 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.754 -13.135 -6.362 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.804 -11.178 -6.692 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.472 -13.339 -6.629 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.885 -12.125 -6.833 1.00 0.00 N ATOM 0 H HIS A 75 5.148 -9.742 -8.116 1.00 0.00 H new ATOM 0 HA HIS A 75 6.254 -11.994 -6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.690 -11.476 -5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.273 -10.090 -6.130 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.445 -13.859 -6.165 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.637 -10.116 -6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.979 -14.299 -6.677 1.00 0.00 H new ATOM 1158 N GLN A 76 3.893 -12.349 -8.859 1.00 0.00 N ATOM 1159 CA GLN A 76 3.326 -13.290 -9.810 1.00 0.00 C ATOM 1160 C GLN A 76 3.314 -14.701 -9.219 1.00 0.00 C ATOM 1161 O GLN A 76 3.443 -14.871 -8.008 1.00 0.00 O ATOM 1162 CB GLN A 76 4.089 -13.257 -11.136 1.00 0.00 C ATOM 1163 CG GLN A 76 3.199 -12.741 -12.269 1.00 0.00 C ATOM 1164 CD GLN A 76 3.573 -11.307 -12.650 1.00 0.00 C ATOM 1165 OE1 GLN A 76 3.110 -10.385 -11.811 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 4.239 -11.055 -13.641 1.00 0.00 N flip ATOM 0 H GLN A 76 3.426 -11.443 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 76 2.297 -12.994 -10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.967 -12.618 -11.039 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.448 -14.257 -11.378 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.299 -13.390 -13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.154 -12.779 -11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.563 -11.812 -14.244 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.472 -10.088 -13.867 1.00 0.00 H new