USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -153:sc= -0.0778 (180deg=-0.716) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0394 (180deg=-0.321) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0305 (180deg=-0.336) USER MOD Single : A 28 MET CE :methyl 158:sc= -0.148 (180deg=-0.976) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.929 X(o=-0.93,f=-1.1!) USER MOD Single : A 39 MET CE :methyl 153:sc= -0.399 (180deg=-1.76) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0.418 (180deg=0.418) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 92:sc= 0.751 USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0233) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0541 (180deg=-0.521) USER MOD Single : A 60 TYR OH : rot 130:sc= -0.0674 USER MOD Single : A 64 GLN : amide:sc= 0.0714 K(o=0.071,f=-6.2!) USER MOD Single : A 70 SER OG : rot -30:sc= -0.0226! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 77 THR OG1 : rot 0:sc= 1.02! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.534 -0.305 -11.830 1.00 0.00 N ATOM 2 CA MET A 1 72.574 -0.291 -10.690 1.00 0.00 C ATOM 3 C MET A 1 72.659 -1.622 -9.951 1.00 0.00 C ATOM 4 O MET A 1 73.064 -2.634 -10.523 1.00 0.00 O ATOM 5 CB MET A 1 71.156 -0.085 -11.225 1.00 0.00 C ATOM 6 CG MET A 1 71.040 1.306 -11.850 1.00 0.00 C ATOM 7 SD MET A 1 69.332 1.587 -12.389 1.00 0.00 S ATOM 8 CE MET A 1 69.323 0.440 -13.790 1.00 0.00 C ATOM 0 H1 MET A 1 74.114 0.558 -11.806 1.00 0.00 H new ATOM 0 H2 MET A 1 74.150 -1.139 -11.755 1.00 0.00 H new ATOM 0 H3 MET A 1 73.008 -0.343 -12.726 1.00 0.00 H new ATOM 0 HA MET A 1 72.821 0.521 -10.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.922 -0.849 -11.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.432 -0.193 -10.417 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.334 2.067 -11.127 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.719 1.393 -12.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.596 0.775 -14.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 70.314 0.410 -14.242 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.053 -0.557 -13.442 1.00 0.00 H new ATOM 20 N TYR A 2 72.268 -1.617 -8.677 1.00 0.00 N ATOM 21 CA TYR A 2 72.296 -2.831 -7.857 1.00 0.00 C ATOM 22 C TYR A 2 70.877 -3.347 -7.633 1.00 0.00 C ATOM 23 O TYR A 2 69.956 -2.574 -7.371 1.00 0.00 O ATOM 24 CB TYR A 2 72.966 -2.523 -6.509 1.00 0.00 C ATOM 25 CG TYR A 2 74.477 -2.578 -6.648 1.00 0.00 C ATOM 26 CD1 TYR A 2 75.143 -1.641 -7.453 1.00 0.00 C ATOM 27 CD2 TYR A 2 75.214 -3.560 -5.968 1.00 0.00 C ATOM 28 CE1 TYR A 2 76.540 -1.689 -7.573 1.00 0.00 C ATOM 29 CE2 TYR A 2 76.608 -3.606 -6.091 1.00 0.00 C ATOM 30 CZ TYR A 2 77.270 -2.671 -6.893 1.00 0.00 C ATOM 31 OH TYR A 2 78.645 -2.716 -7.016 1.00 0.00 O ATOM 0 H TYR A 2 71.928 -0.788 -8.190 1.00 0.00 H new ATOM 0 HA TYR A 2 72.868 -3.601 -8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 2 72.662 -1.536 -6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.636 -3.242 -5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 2 74.581 -0.884 -7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.704 -4.282 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 2 77.053 -0.967 -8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 2 77.172 -4.363 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 2 78.997 -3.456 -6.479 1.00 0.00 H new ATOM 41 N GLU A 3 70.715 -4.664 -7.738 1.00 0.00 N ATOM 42 CA GLU A 3 69.410 -5.299 -7.549 1.00 0.00 C ATOM 43 C GLU A 3 69.540 -6.498 -6.614 1.00 0.00 C ATOM 44 O GLU A 3 70.410 -7.349 -6.802 1.00 0.00 O ATOM 45 CB GLU A 3 68.857 -5.760 -8.900 1.00 0.00 C ATOM 46 CG GLU A 3 68.516 -4.535 -9.757 1.00 0.00 C ATOM 47 CD GLU A 3 68.044 -4.979 -11.139 1.00 0.00 C ATOM 48 OE1 GLU A 3 67.963 -6.176 -11.360 1.00 0.00 O ATOM 49 OE2 GLU A 3 67.771 -4.114 -11.954 1.00 0.00 O ATOM 0 H GLU A 3 71.471 -5.314 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 3 68.727 -4.574 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 3 69.591 -6.383 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.968 -6.372 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.739 -3.946 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 3 69.391 -3.892 -9.852 1.00 0.00 H new ATOM 56 N PHE A 4 68.669 -6.559 -5.604 1.00 0.00 N ATOM 57 CA PHE A 4 68.689 -7.662 -4.636 1.00 0.00 C ATOM 58 C PHE A 4 67.482 -8.577 -4.848 1.00 0.00 C ATOM 59 O PHE A 4 66.332 -8.144 -4.771 1.00 0.00 O ATOM 60 CB PHE A 4 68.718 -7.091 -3.197 1.00 0.00 C ATOM 61 CG PHE A 4 68.238 -8.114 -2.176 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.974 -9.284 -1.931 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.045 -7.884 -1.470 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.516 -10.216 -0.990 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.590 -8.816 -0.534 1.00 0.00 C ATOM 66 CZ PHE A 4 67.324 -9.982 -0.295 1.00 0.00 C ATOM 0 H PHE A 4 67.944 -5.862 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 4 69.588 -8.260 -4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.733 -6.778 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 4 68.089 -6.202 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.893 -9.466 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.478 -6.983 -1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.083 -11.115 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.672 -8.636 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 4 66.970 -10.703 0.427 1.00 0.00 H new ATOM 76 N LYS A 5 67.770 -9.847 -5.132 1.00 0.00 N ATOM 77 CA LYS A 5 66.730 -10.852 -5.377 1.00 0.00 C ATOM 78 C LYS A 5 66.954 -12.063 -4.477 1.00 0.00 C ATOM 79 O LYS A 5 68.082 -12.339 -4.070 1.00 0.00 O ATOM 80 CB LYS A 5 66.782 -11.281 -6.848 1.00 0.00 C ATOM 81 CG LYS A 5 66.420 -10.089 -7.735 1.00 0.00 C ATOM 82 CD LYS A 5 66.514 -10.493 -9.207 1.00 0.00 C ATOM 83 CE LYS A 5 66.173 -9.287 -10.084 1.00 0.00 C ATOM 84 NZ LYS A 5 66.279 -9.665 -11.521 1.00 0.00 N ATOM 0 H LYS A 5 68.722 -10.208 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 5 65.752 -10.425 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.779 -11.645 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.089 -12.104 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.411 -9.746 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.093 -9.256 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.518 -10.851 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.828 -11.314 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.164 -8.938 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.851 -8.462 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.047 -8.843 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.249 -9.977 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.615 -10.439 -11.726 1.00 0.00 H new ATOM 98 N LEU A 6 65.882 -12.786 -4.161 1.00 0.00 N ATOM 99 CA LEU A 6 66.012 -13.965 -3.302 1.00 0.00 C ATOM 100 C LEU A 6 66.712 -15.094 -4.073 1.00 0.00 C ATOM 101 O LEU A 6 66.190 -15.553 -5.088 1.00 0.00 O ATOM 102 CB LEU A 6 64.634 -14.470 -2.829 1.00 0.00 C ATOM 103 CG LEU A 6 64.812 -15.434 -1.633 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.898 -14.644 -0.319 1.00 0.00 C ATOM 105 CD2 LEU A 6 63.620 -16.396 -1.555 1.00 0.00 C ATOM 0 H LEU A 6 64.933 -12.585 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 6 66.599 -13.678 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.008 -13.627 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.123 -14.980 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 6 65.734 -15.997 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.023 -15.336 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 6 65.750 -13.965 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.982 -14.070 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 6 63.753 -17.072 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 6 62.700 -15.826 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 6 63.559 -16.975 -2.477 1.00 0.00 H new ATOM 117 N PRO A 7 67.872 -15.555 -3.645 1.00 0.00 N ATOM 118 CA PRO A 7 68.591 -16.646 -4.359 1.00 0.00 C ATOM 119 C PRO A 7 67.974 -18.014 -4.077 1.00 0.00 C ATOM 120 O PRO A 7 67.387 -18.233 -3.018 1.00 0.00 O ATOM 121 CB PRO A 7 70.019 -16.540 -3.819 1.00 0.00 C ATOM 122 CG PRO A 7 69.856 -16.033 -2.423 1.00 0.00 C ATOM 123 CD PRO A 7 68.626 -15.112 -2.445 1.00 0.00 C ATOM 0 HA PRO A 7 68.542 -16.546 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.521 -17.507 -3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.621 -15.859 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 7 69.714 -16.857 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 7 70.744 -15.490 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.031 -15.217 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 7 68.913 -14.063 -2.518 1.00 0.00 H new ATOM 131 N ASP A 8 68.108 -18.930 -5.029 1.00 0.00 N ATOM 132 CA ASP A 8 67.554 -20.269 -4.865 1.00 0.00 C ATOM 133 C ASP A 8 68.518 -21.146 -4.068 1.00 0.00 C ATOM 134 O ASP A 8 69.564 -21.554 -4.575 1.00 0.00 O ATOM 135 CB ASP A 8 67.308 -20.904 -6.235 1.00 0.00 C ATOM 136 CG ASP A 8 66.457 -22.159 -6.079 1.00 0.00 C ATOM 137 OD1 ASP A 8 66.330 -22.627 -4.959 1.00 0.00 O ATOM 138 OD2 ASP A 8 65.945 -22.633 -7.080 1.00 0.00 O ATOM 0 H ASP A 8 68.590 -18.773 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 8 66.610 -20.190 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 8 66.806 -20.193 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 8 68.259 -21.155 -6.705 1.00 0.00 H new ATOM 143 N ILE A 9 68.160 -21.435 -2.813 1.00 0.00 N ATOM 144 CA ILE A 9 68.994 -22.267 -1.943 1.00 0.00 C ATOM 145 C ILE A 9 68.159 -23.374 -1.312 1.00 0.00 C ATOM 146 O ILE A 9 66.939 -23.258 -1.202 1.00 0.00 O ATOM 147 CB ILE A 9 69.630 -21.400 -0.852 1.00 0.00 C ATOM 148 CG1 ILE A 9 68.535 -20.691 -0.046 1.00 0.00 C ATOM 149 CG2 ILE A 9 70.542 -20.354 -1.497 1.00 0.00 C ATOM 150 CD1 ILE A 9 69.168 -19.921 1.115 1.00 0.00 C ATOM 0 H ILE A 9 67.299 -21.105 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 9 69.783 -22.724 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 9 70.214 -22.035 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 9 67.981 -20.008 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 9 67.820 -21.420 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.994 -19.737 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 9 71.326 -20.855 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 9 69.956 -19.723 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.388 -19.418 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.702 -20.615 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 9 69.865 -19.181 0.723 1.00 0.00 H new ATOM 162 N GLY A 10 68.822 -24.450 -0.905 1.00 0.00 N ATOM 163 CA GLY A 10 68.124 -25.575 -0.294 1.00 0.00 C ATOM 164 C GLY A 10 67.297 -26.313 -1.340 1.00 0.00 C ATOM 165 O GLY A 10 67.421 -26.054 -2.537 1.00 0.00 O ATOM 0 H GLY A 10 69.832 -24.567 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 10 68.844 -26.257 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 67.476 -25.219 0.507 1.00 0.00 H new ATOM 169 N GLU A 11 66.440 -27.225 -0.884 1.00 0.00 N ATOM 170 CA GLU A 11 65.578 -27.992 -1.787 1.00 0.00 C ATOM 171 C GLU A 11 64.125 -27.900 -1.338 1.00 0.00 C ATOM 172 O GLU A 11 63.828 -27.993 -0.147 1.00 0.00 O ATOM 173 CB GLU A 11 66.016 -29.457 -1.808 1.00 0.00 C ATOM 174 CG GLU A 11 67.374 -29.570 -2.502 1.00 0.00 C ATOM 175 CD GLU A 11 67.879 -31.007 -2.443 1.00 0.00 C ATOM 176 OE1 GLU A 11 67.197 -31.833 -1.860 1.00 0.00 O ATOM 177 OE2 GLU A 11 68.947 -31.260 -2.978 1.00 0.00 O ATOM 0 H GLU A 11 66.323 -27.452 0.103 1.00 0.00 H new ATOM 0 HA GLU A 11 65.666 -27.574 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 11 66.082 -29.843 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 11 65.276 -30.062 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 11 67.287 -29.250 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 68.092 -28.905 -2.022 1.00 0.00 H new ATOM 184 N GLY A 12 63.219 -27.724 -2.297 1.00 0.00 N ATOM 185 CA GLY A 12 61.797 -27.627 -1.982 1.00 0.00 C ATOM 186 C GLY A 12 61.418 -26.217 -1.547 1.00 0.00 C ATOM 187 O GLY A 12 61.174 -25.966 -0.367 1.00 0.00 O ATOM 0 H GLY A 12 63.442 -27.646 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 12 61.209 -27.910 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 12 61.550 -28.333 -1.189 1.00 0.00 H new ATOM 191 N VAL A 13 61.354 -25.295 -2.511 1.00 0.00 N ATOM 192 CA VAL A 13 60.983 -23.902 -2.223 1.00 0.00 C ATOM 193 C VAL A 13 59.865 -23.468 -3.168 1.00 0.00 C ATOM 194 O VAL A 13 60.074 -23.335 -4.373 1.00 0.00 O ATOM 195 CB VAL A 13 62.207 -22.985 -2.392 1.00 0.00 C ATOM 196 CG1 VAL A 13 61.773 -21.518 -2.314 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.229 -23.271 -1.278 1.00 0.00 C ATOM 0 H VAL A 13 61.553 -25.484 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 13 60.632 -23.827 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 13 62.662 -23.178 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 13 62.644 -20.874 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 13 61.055 -21.308 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 13 61.311 -21.326 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 13 64.094 -22.619 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 13 62.770 -23.085 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 13 63.548 -24.312 -1.335 1.00 0.00 H new ATOM 207 N THR A 14 58.669 -23.262 -2.611 1.00 0.00 N ATOM 208 CA THR A 14 57.506 -22.859 -3.409 1.00 0.00 C ATOM 209 C THR A 14 57.128 -21.403 -3.142 1.00 0.00 C ATOM 210 O THR A 14 56.361 -20.810 -3.900 1.00 0.00 O ATOM 211 CB THR A 14 56.317 -23.760 -3.064 1.00 0.00 C ATOM 212 OG1 THR A 14 56.210 -23.872 -1.652 1.00 0.00 O ATOM 213 CG2 THR A 14 56.531 -25.147 -3.672 1.00 0.00 C ATOM 0 H THR A 14 58.480 -23.367 -1.614 1.00 0.00 H new ATOM 0 HA THR A 14 57.764 -22.959 -4.463 1.00 0.00 H new ATOM 0 HB THR A 14 55.402 -23.328 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.449 -24.447 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 14 55.684 -25.787 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 14 56.617 -25.060 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 14 57.445 -25.584 -3.269 1.00 0.00 H new ATOM 221 N GLU A 15 57.674 -20.830 -2.072 1.00 0.00 N ATOM 222 CA GLU A 15 57.378 -19.436 -1.733 1.00 0.00 C ATOM 223 C GLU A 15 58.238 -18.958 -0.571 1.00 0.00 C ATOM 224 O GLU A 15 58.611 -19.739 0.305 1.00 0.00 O ATOM 225 CB GLU A 15 55.888 -19.261 -1.384 1.00 0.00 C ATOM 226 CG GLU A 15 55.545 -19.963 -0.062 1.00 0.00 C ATOM 227 CD GLU A 15 54.046 -19.872 0.200 1.00 0.00 C ATOM 228 OE1 GLU A 15 53.290 -19.981 -0.753 1.00 0.00 O ATOM 229 OE2 GLU A 15 53.674 -19.701 1.349 1.00 0.00 O ATOM 0 H GLU A 15 58.315 -21.299 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 15 57.610 -18.830 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.651 -18.200 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 15 55.273 -19.668 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 15 55.853 -21.008 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.095 -19.502 0.758 1.00 0.00 H new ATOM 236 N GLY A 16 58.544 -17.656 -0.563 1.00 0.00 N ATOM 237 CA GLY A 16 59.356 -17.065 0.504 1.00 0.00 C ATOM 238 C GLY A 16 58.527 -16.071 1.310 1.00 0.00 C ATOM 239 O GLY A 16 57.602 -15.457 0.780 1.00 0.00 O ATOM 0 H GLY A 16 58.243 -16.995 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 16 59.734 -17.849 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.223 -16.563 0.075 1.00 0.00 H new ATOM 243 N GLU A 17 58.859 -15.906 2.594 1.00 0.00 N ATOM 244 CA GLU A 17 58.129 -14.976 3.456 1.00 0.00 C ATOM 245 C GLU A 17 59.103 -14.182 4.321 1.00 0.00 C ATOM 246 O GLU A 17 60.150 -14.691 4.717 1.00 0.00 O ATOM 247 CB GLU A 17 57.159 -15.744 4.355 1.00 0.00 C ATOM 248 CG GLU A 17 56.322 -14.753 5.167 1.00 0.00 C ATOM 249 CD GLU A 17 55.272 -15.501 5.981 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.364 -16.716 6.055 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.389 -14.849 6.513 1.00 0.00 O ATOM 0 H GLU A 17 59.623 -16.401 3.055 1.00 0.00 H new ATOM 0 HA GLU A 17 57.568 -14.287 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.508 -16.376 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 57.711 -16.404 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.967 -14.178 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.837 -14.041 4.499 1.00 0.00 H new ATOM 258 N ILE A 18 58.752 -12.928 4.606 1.00 0.00 N ATOM 259 CA ILE A 18 59.604 -12.057 5.422 1.00 0.00 C ATOM 260 C ILE A 18 59.070 -11.933 6.847 1.00 0.00 C ATOM 261 O ILE A 18 57.985 -11.395 7.071 1.00 0.00 O ATOM 262 CB ILE A 18 59.678 -10.671 4.763 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.480 -10.761 3.446 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.329 -9.655 5.709 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.996 -10.698 3.712 1.00 0.00 C ATOM 0 H ILE A 18 57.887 -12.492 4.286 1.00 0.00 H new ATOM 0 HA ILE A 18 60.600 -12.496 5.481 1.00 0.00 H new ATOM 0 HB ILE A 18 58.665 -10.334 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.237 -11.691 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.190 -9.945 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.372 -8.680 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.740 -9.579 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.339 -9.982 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.534 -10.764 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.240 -9.757 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.288 -11.529 4.354 1.00 0.00 H new ATOM 277 N VAL A 19 59.854 -12.421 7.809 1.00 0.00 N ATOM 278 CA VAL A 19 59.469 -12.351 9.215 1.00 0.00 C ATOM 279 C VAL A 19 59.895 -11.007 9.819 1.00 0.00 C ATOM 280 O VAL A 19 59.131 -10.380 10.552 1.00 0.00 O ATOM 281 CB VAL A 19 60.120 -13.509 9.983 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.639 -13.317 10.027 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.561 -13.569 11.411 1.00 0.00 C ATOM 0 H VAL A 19 60.756 -12.867 7.639 1.00 0.00 H new ATOM 0 HA VAL A 19 58.385 -12.434 9.293 1.00 0.00 H new ATOM 0 HB VAL A 19 59.894 -14.445 9.472 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.094 -14.143 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.032 -13.294 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.873 -12.378 10.528 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.028 -14.393 11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.775 -12.632 11.925 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.483 -13.724 11.373 1.00 0.00 H new ATOM 293 N ARG A 20 61.121 -10.568 9.509 1.00 0.00 N ATOM 294 CA ARG A 20 61.633 -9.290 10.032 1.00 0.00 C ATOM 295 C ARG A 20 62.415 -8.527 8.963 1.00 0.00 C ATOM 296 O ARG A 20 63.074 -9.129 8.117 1.00 0.00 O ATOM 297 CB ARG A 20 62.542 -9.543 11.237 1.00 0.00 C ATOM 298 CG ARG A 20 61.698 -10.000 12.428 1.00 0.00 C ATOM 299 CD ARG A 20 62.616 -10.354 13.598 1.00 0.00 C ATOM 300 NE ARG A 20 63.317 -9.161 14.060 1.00 0.00 N ATOM 301 CZ ARG A 20 64.258 -9.230 14.995 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.601 -10.386 15.495 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.847 -8.140 15.406 1.00 0.00 N ATOM 0 H ARG A 20 61.772 -11.070 8.906 1.00 0.00 H new ATOM 0 HA ARG A 20 60.777 -8.687 10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 20 63.285 -10.302 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 63.087 -8.634 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 20 61.006 -9.211 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.096 -10.865 12.150 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.032 -10.781 14.413 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.336 -11.112 13.290 1.00 0.00 H new ATOM 0 HE ARG A 20 63.080 -8.255 13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.146 -11.238 15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.324 -10.437 16.213 1.00 0.00 H new ATOM 0 HH21 ARG A 20 64.584 -7.238 15.009 1.00 0.00 H new ATOM 0 HH22 ARG A 20 65.570 -8.191 16.124 1.00 0.00 H new ATOM 317 N TRP A 21 62.348 -7.188 9.023 1.00 0.00 N ATOM 318 CA TRP A 21 63.069 -6.329 8.066 1.00 0.00 C ATOM 319 C TRP A 21 64.193 -5.564 8.774 1.00 0.00 C ATOM 320 O TRP A 21 64.032 -5.114 9.911 1.00 0.00 O ATOM 321 CB TRP A 21 62.104 -5.314 7.391 1.00 0.00 C ATOM 322 CG TRP A 21 61.604 -5.823 6.069 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.298 -5.914 5.730 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.360 -6.276 4.899 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.200 -6.417 4.445 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.442 -6.652 3.890 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.739 -6.402 4.618 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.873 -7.134 2.651 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.173 -6.884 3.373 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.243 -7.251 2.393 1.00 0.00 C ATOM 0 H TRP A 21 61.805 -6.677 9.720 1.00 0.00 H new ATOM 0 HA TRP A 21 63.496 -6.975 7.298 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.258 -5.121 8.051 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.618 -4.364 7.245 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.466 -5.638 6.361 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.317 -6.593 3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.466 -6.125 5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.153 -7.415 1.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.230 -6.972 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.583 -7.624 1.438 1.00 0.00 H new ATOM 341 N ASP A 22 65.330 -5.412 8.089 1.00 0.00 N ATOM 342 CA ASP A 22 66.481 -4.694 8.649 1.00 0.00 C ATOM 343 C ASP A 22 66.643 -3.314 8.016 1.00 0.00 C ATOM 344 O ASP A 22 67.534 -2.555 8.399 1.00 0.00 O ATOM 345 CB ASP A 22 67.756 -5.492 8.398 1.00 0.00 C ATOM 346 CG ASP A 22 67.868 -5.839 6.918 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.836 -6.019 6.293 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.983 -5.920 6.429 1.00 0.00 O ATOM 0 H ASP A 22 65.479 -5.775 7.148 1.00 0.00 H new ATOM 0 HA ASP A 22 66.305 -4.573 9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 22 68.625 -4.914 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.748 -6.404 8.995 1.00 0.00 H new ATOM 353 N VAL A 23 65.800 -2.992 7.031 1.00 0.00 N ATOM 354 CA VAL A 23 65.895 -1.700 6.341 1.00 0.00 C ATOM 355 C VAL A 23 64.518 -1.052 6.179 1.00 0.00 C ATOM 356 O VAL A 23 63.491 -1.723 6.261 1.00 0.00 O ATOM 357 CB VAL A 23 66.551 -1.918 4.970 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.740 -2.873 5.144 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.540 -2.531 3.976 1.00 0.00 C ATOM 0 H VAL A 23 65.052 -3.599 6.695 1.00 0.00 H new ATOM 0 HA VAL A 23 66.503 -1.022 6.940 1.00 0.00 H new ATOM 0 HB VAL A 23 66.887 -0.960 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.218 -3.039 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.460 -2.435 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.387 -3.824 5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.023 -2.678 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.191 -3.491 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.691 -1.857 3.858 1.00 0.00 H new ATOM 369 N LYS A 24 64.514 0.265 5.948 1.00 0.00 N ATOM 370 CA LYS A 24 63.269 1.014 5.767 1.00 0.00 C ATOM 371 C LYS A 24 63.402 2.005 4.611 1.00 0.00 C ATOM 372 O LYS A 24 64.481 2.541 4.362 1.00 0.00 O ATOM 373 CB LYS A 24 62.920 1.770 7.051 1.00 0.00 C ATOM 374 CG LYS A 24 62.590 0.768 8.159 1.00 0.00 C ATOM 375 CD LYS A 24 62.210 1.519 9.437 1.00 0.00 C ATOM 376 CE LYS A 24 61.909 0.511 10.547 1.00 0.00 C ATOM 377 NZ LYS A 24 60.669 -0.243 10.207 1.00 0.00 N ATOM 0 H LYS A 24 65.359 0.833 5.882 1.00 0.00 H new ATOM 0 HA LYS A 24 62.473 0.306 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.756 2.400 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 24 62.070 2.430 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.769 0.123 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.448 0.123 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 24 63.023 2.178 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 24 61.339 2.149 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 24 62.746 -0.177 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.784 1.028 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.301 -0.710 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 59.953 0.415 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.886 -0.961 9.486 1.00 0.00 H new ATOM 391 N GLU A 25 62.296 2.236 3.909 1.00 0.00 N ATOM 392 CA GLU A 25 62.285 3.155 2.771 1.00 0.00 C ATOM 393 C GLU A 25 62.608 4.587 3.200 1.00 0.00 C ATOM 394 O GLU A 25 62.047 5.095 4.172 1.00 0.00 O ATOM 395 CB GLU A 25 60.904 3.125 2.108 1.00 0.00 C ATOM 396 CG GLU A 25 60.901 4.018 0.863 1.00 0.00 C ATOM 397 CD GLU A 25 59.534 3.948 0.189 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.772 3.062 0.536 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.270 4.783 -0.660 1.00 0.00 O ATOM 0 H GLU A 25 61.395 1.800 4.107 1.00 0.00 H new ATOM 0 HA GLU A 25 63.052 2.831 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.646 2.102 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.146 3.467 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.129 5.047 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.677 3.695 0.169 1.00 0.00 H new ATOM 406 N GLY A 26 63.491 5.240 2.442 1.00 0.00 N ATOM 407 CA GLY A 26 63.857 6.627 2.723 1.00 0.00 C ATOM 408 C GLY A 26 64.930 6.736 3.803 1.00 0.00 C ATOM 409 O GLY A 26 65.226 7.835 4.273 1.00 0.00 O ATOM 0 H GLY A 26 63.962 4.833 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.217 7.098 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.971 7.178 3.038 1.00 0.00 H new ATOM 413 N ASP A 27 65.503 5.601 4.206 1.00 0.00 N ATOM 414 CA ASP A 27 66.538 5.595 5.249 1.00 0.00 C ATOM 415 C ASP A 27 67.870 5.087 4.709 1.00 0.00 C ATOM 416 O ASP A 27 67.940 4.022 4.095 1.00 0.00 O ATOM 417 CB ASP A 27 66.087 4.713 6.416 1.00 0.00 C ATOM 418 CG ASP A 27 67.067 4.841 7.578 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.101 5.460 7.391 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.768 4.315 8.638 1.00 0.00 O ATOM 0 H ASP A 27 65.273 4.680 3.832 1.00 0.00 H new ATOM 0 HA ASP A 27 66.680 6.620 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.088 5.006 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.026 3.673 6.094 1.00 0.00 H new ATOM 425 N MET A 28 68.925 5.858 4.955 1.00 0.00 N ATOM 426 CA MET A 28 70.262 5.487 4.504 1.00 0.00 C ATOM 427 C MET A 28 70.660 4.145 5.112 1.00 0.00 C ATOM 428 O MET A 28 70.215 3.799 6.207 1.00 0.00 O ATOM 429 CB MET A 28 71.272 6.560 4.919 1.00 0.00 C ATOM 430 CG MET A 28 71.002 6.989 6.364 1.00 0.00 C ATOM 431 SD MET A 28 72.356 8.046 6.935 1.00 0.00 S ATOM 432 CE MET A 28 72.067 9.431 5.806 1.00 0.00 C ATOM 0 H MET A 28 68.880 6.741 5.463 1.00 0.00 H new ATOM 0 HA MET A 28 70.257 5.403 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.287 6.173 4.828 1.00 0.00 H new ATOM 0 HB3 MET A 28 71.198 7.420 4.254 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.055 7.526 6.426 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.914 6.112 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.513 10.336 6.219 1.00 0.00 H new ATOM 0 HE2 MET A 28 72.519 9.212 4.839 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.995 9.580 5.680 1.00 0.00 H new ATOM 442 N VAL A 29 71.492 3.388 4.396 1.00 0.00 N ATOM 443 CA VAL A 29 71.939 2.078 4.872 1.00 0.00 C ATOM 444 C VAL A 29 73.460 2.033 4.932 1.00 0.00 C ATOM 445 O VAL A 29 74.145 2.819 4.275 1.00 0.00 O ATOM 446 CB VAL A 29 71.425 0.991 3.920 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.070 -0.358 4.257 1.00 0.00 C ATOM 448 CG2 VAL A 29 69.905 0.877 4.057 1.00 0.00 C ATOM 0 H VAL A 29 71.869 3.658 3.487 1.00 0.00 H new ATOM 0 HA VAL A 29 71.543 1.905 5.873 1.00 0.00 H new ATOM 0 HB VAL A 29 71.686 1.261 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.696 -1.121 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.152 -0.279 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.820 -0.635 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.536 0.105 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.651 0.613 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.444 1.832 3.803 1.00 0.00 H new ATOM 458 N GLU A 30 73.988 1.105 5.729 1.00 0.00 N ATOM 459 CA GLU A 30 75.436 0.954 5.881 1.00 0.00 C ATOM 460 C GLU A 30 75.831 -0.517 5.815 1.00 0.00 C ATOM 461 O GLU A 30 75.063 -1.399 6.203 1.00 0.00 O ATOM 462 CB GLU A 30 75.886 1.538 7.227 1.00 0.00 C ATOM 463 CG GLU A 30 75.678 3.059 7.241 1.00 0.00 C ATOM 464 CD GLU A 30 74.222 3.394 7.553 1.00 0.00 C ATOM 465 OE1 GLU A 30 73.429 2.472 7.648 1.00 0.00 O ATOM 466 OE2 GLU A 30 73.923 4.568 7.692 1.00 0.00 O ATOM 0 H GLU A 30 73.436 0.447 6.279 1.00 0.00 H new ATOM 0 HA GLU A 30 75.923 1.491 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.321 1.079 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 30 76.937 1.306 7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.330 3.515 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.955 3.479 6.274 1.00 0.00 H new ATOM 473 N LYS A 31 77.037 -0.774 5.322 1.00 0.00 N ATOM 474 CA LYS A 31 77.538 -2.139 5.207 1.00 0.00 C ATOM 475 C LYS A 31 77.714 -2.754 6.596 1.00 0.00 C ATOM 476 O LYS A 31 78.198 -2.089 7.507 1.00 0.00 O ATOM 477 CB LYS A 31 78.879 -2.123 4.461 1.00 0.00 C ATOM 478 CG LYS A 31 79.356 -3.552 4.191 1.00 0.00 C ATOM 479 CD LYS A 31 80.673 -3.506 3.416 1.00 0.00 C ATOM 480 CE LYS A 31 81.147 -4.931 3.121 1.00 0.00 C ATOM 481 NZ LYS A 31 82.426 -4.880 2.360 1.00 0.00 N ATOM 0 H LYS A 31 77.685 -0.057 4.996 1.00 0.00 H new ATOM 0 HA LYS A 31 76.821 -2.743 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.772 -1.584 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.624 -1.589 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.492 -4.086 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.604 -4.097 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.539 -2.957 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.428 -2.973 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.287 -5.479 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.391 -5.466 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.749 -5.848 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.277 -4.372 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.146 -4.385 2.924 1.00 0.00 H new ATOM 495 N ASP A 32 77.307 -4.024 6.734 1.00 0.00 N ATOM 496 CA ASP A 32 77.395 -4.772 8.001 1.00 0.00 C ATOM 497 C ASP A 32 76.084 -4.674 8.778 1.00 0.00 C ATOM 498 O ASP A 32 75.983 -3.945 9.765 1.00 0.00 O ATOM 499 CB ASP A 32 78.551 -4.282 8.885 1.00 0.00 C ATOM 500 CG ASP A 32 79.807 -4.076 8.044 1.00 0.00 C ATOM 501 OD1 ASP A 32 80.099 -4.939 7.232 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.461 -3.062 8.226 1.00 0.00 O ATOM 0 H ASP A 32 76.906 -4.565 5.968 1.00 0.00 H new ATOM 0 HA ASP A 32 77.588 -5.812 7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.274 -3.348 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.748 -5.008 9.674 1.00 0.00 H new ATOM 507 N GLN A 33 75.085 -5.430 8.323 1.00 0.00 N ATOM 508 CA GLN A 33 73.772 -5.453 8.966 1.00 0.00 C ATOM 509 C GLN A 33 73.168 -6.855 8.850 1.00 0.00 C ATOM 510 O GLN A 33 72.563 -7.189 7.830 1.00 0.00 O ATOM 511 CB GLN A 33 72.834 -4.447 8.290 1.00 0.00 C ATOM 512 CG GLN A 33 73.288 -3.017 8.599 1.00 0.00 C ATOM 513 CD GLN A 33 72.371 -2.022 7.897 1.00 0.00 C ATOM 514 OE1 GLN A 33 71.384 -2.416 7.277 1.00 0.00 O ATOM 515 NE2 GLN A 33 72.637 -0.745 7.958 1.00 0.00 N ATOM 0 H GLN A 33 75.161 -6.037 7.507 1.00 0.00 H new ATOM 0 HA GLN A 33 73.891 -5.186 10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 33 72.828 -4.610 7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 33 71.813 -4.597 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.271 -2.845 9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.317 -2.873 8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.455 -0.418 8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 33 72.026 -0.074 7.492 1.00 0.00 H new ATOM 524 N ASP A 34 73.339 -7.683 9.888 1.00 0.00 N ATOM 525 CA ASP A 34 72.810 -9.050 9.868 1.00 0.00 C ATOM 526 C ASP A 34 71.560 -9.162 10.731 1.00 0.00 C ATOM 527 O ASP A 34 71.470 -10.034 11.595 1.00 0.00 O ATOM 528 CB ASP A 34 73.870 -10.023 10.387 1.00 0.00 C ATOM 529 CG ASP A 34 74.238 -9.679 11.826 1.00 0.00 C ATOM 530 OD1 ASP A 34 73.885 -8.594 12.263 1.00 0.00 O ATOM 531 OD2 ASP A 34 74.872 -10.500 12.469 1.00 0.00 O ATOM 0 H ASP A 34 73.835 -7.433 10.744 1.00 0.00 H new ATOM 0 HA ASP A 34 72.549 -9.299 8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 34 73.494 -11.045 10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.757 -9.977 9.756 1.00 0.00 H new ATOM 536 N LEU A 35 70.591 -8.279 10.487 1.00 0.00 N ATOM 537 CA LEU A 35 69.332 -8.290 11.244 1.00 0.00 C ATOM 538 C LEU A 35 68.156 -8.560 10.309 1.00 0.00 C ATOM 539 O LEU A 35 67.039 -8.103 10.553 1.00 0.00 O ATOM 540 CB LEU A 35 69.127 -6.950 11.968 1.00 0.00 C ATOM 541 CG LEU A 35 70.316 -6.664 12.900 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.140 -5.277 13.530 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.381 -7.720 14.018 1.00 0.00 C ATOM 0 H LEU A 35 70.650 -7.550 9.776 1.00 0.00 H new ATOM 0 HA LEU A 35 69.385 -9.085 11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.025 -6.146 11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.202 -6.977 12.544 1.00 0.00 H new ATOM 0 HG LEU A 35 71.239 -6.699 12.321 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.980 -5.069 14.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.102 -4.523 12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.213 -5.252 14.102 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.227 -7.507 14.671 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.459 -7.693 14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.503 -8.709 13.577 1.00 0.00 H new ATOM 555 N VAL A 36 68.416 -9.322 9.243 1.00 0.00 N ATOM 556 CA VAL A 36 67.377 -9.675 8.266 1.00 0.00 C ATOM 557 C VAL A 36 67.199 -11.189 8.294 1.00 0.00 C ATOM 558 O VAL A 36 68.172 -11.935 8.179 1.00 0.00 O ATOM 559 CB VAL A 36 67.772 -9.175 6.836 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.242 -8.743 6.827 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.584 -10.277 5.777 1.00 0.00 C ATOM 0 H VAL A 36 69.337 -9.707 9.033 1.00 0.00 H new ATOM 0 HA VAL A 36 66.435 -9.191 8.523 1.00 0.00 H new ATOM 0 HB VAL A 36 67.120 -8.336 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.513 -8.396 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.388 -7.936 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.872 -9.590 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.868 -9.893 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.211 -11.133 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.539 -10.587 5.756 1.00 0.00 H new ATOM 571 N GLU A 37 65.958 -11.634 8.447 1.00 0.00 N ATOM 572 CA GLU A 37 65.659 -13.066 8.491 1.00 0.00 C ATOM 573 C GLU A 37 64.674 -13.442 7.395 1.00 0.00 C ATOM 574 O GLU A 37 63.594 -12.857 7.287 1.00 0.00 O ATOM 575 CB GLU A 37 65.060 -13.425 9.852 1.00 0.00 C ATOM 576 CG GLU A 37 66.126 -13.276 10.937 1.00 0.00 C ATOM 577 CD GLU A 37 65.505 -13.499 12.313 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.321 -13.793 12.365 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.220 -13.373 13.293 1.00 0.00 O ATOM 0 H GLU A 37 65.142 -11.029 8.543 1.00 0.00 H new ATOM 0 HA GLU A 37 66.586 -13.618 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.212 -12.776 10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.683 -14.448 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.929 -13.994 10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.572 -12.282 10.887 1.00 0.00 H new ATOM 586 N VAL A 38 65.045 -14.437 6.593 1.00 0.00 N ATOM 587 CA VAL A 38 64.188 -14.919 5.513 1.00 0.00 C ATOM 588 C VAL A 38 63.798 -16.362 5.802 1.00 0.00 C ATOM 589 O VAL A 38 64.649 -17.195 6.120 1.00 0.00 O ATOM 590 CB VAL A 38 64.918 -14.817 4.164 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.907 -13.362 3.687 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.368 -15.285 4.310 1.00 0.00 C ATOM 0 H VAL A 38 65.936 -14.927 6.671 1.00 0.00 H new ATOM 0 HA VAL A 38 63.290 -14.304 5.455 1.00 0.00 H new ATOM 0 HB VAL A 38 64.408 -15.451 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.424 -13.289 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.877 -13.026 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.412 -12.734 4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.874 -15.208 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.881 -14.659 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.384 -16.322 4.646 1.00 0.00 H new ATOM 602 N MET A 39 62.498 -16.639 5.720 1.00 0.00 N ATOM 603 CA MET A 39 61.972 -17.975 6.000 1.00 0.00 C ATOM 604 C MET A 39 61.616 -18.698 4.709 1.00 0.00 C ATOM 605 O MET A 39 60.657 -18.336 4.028 1.00 0.00 O ATOM 606 CB MET A 39 60.723 -17.849 6.882 1.00 0.00 C ATOM 607 CG MET A 39 60.167 -19.237 7.208 1.00 0.00 C ATOM 608 SD MET A 39 58.772 -19.074 8.351 1.00 0.00 S ATOM 609 CE MET A 39 57.639 -18.209 7.234 1.00 0.00 C ATOM 0 H MET A 39 61.787 -15.955 5.461 1.00 0.00 H new ATOM 0 HA MET A 39 62.738 -18.554 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.971 -17.322 7.804 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.965 -17.256 6.370 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.846 -19.736 6.294 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.945 -19.857 7.653 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.610 -18.422 7.523 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.818 -17.136 7.293 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.806 -18.549 6.212 1.00 0.00 H new ATOM 619 N THR A 40 62.383 -19.733 4.385 1.00 0.00 N ATOM 620 CA THR A 40 62.116 -20.503 3.179 1.00 0.00 C ATOM 621 C THR A 40 60.736 -21.137 3.286 1.00 0.00 C ATOM 622 O THR A 40 59.918 -21.042 2.370 1.00 0.00 O ATOM 623 CB THR A 40 63.178 -21.596 2.996 1.00 0.00 C ATOM 624 OG1 THR A 40 62.744 -22.787 3.638 1.00 0.00 O ATOM 625 CG2 THR A 40 64.502 -21.139 3.617 1.00 0.00 C ATOM 0 H THR A 40 63.182 -20.054 4.932 1.00 0.00 H new ATOM 0 HA THR A 40 62.150 -19.839 2.315 1.00 0.00 H new ATOM 0 HB THR A 40 63.323 -21.784 1.932 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.420 -23.487 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.254 -21.917 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.837 -20.225 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.359 -20.949 4.681 1.00 0.00 H new ATOM 633 N ASP A 41 60.483 -21.765 4.430 1.00 0.00 N ATOM 634 CA ASP A 41 59.190 -22.407 4.690 1.00 0.00 C ATOM 635 C ASP A 41 58.854 -22.289 6.173 1.00 0.00 C ATOM 636 O ASP A 41 57.923 -21.582 6.561 1.00 0.00 O ATOM 637 CB ASP A 41 59.245 -23.885 4.297 1.00 0.00 C ATOM 638 CG ASP A 41 57.861 -24.509 4.433 1.00 0.00 C ATOM 639 OD1 ASP A 41 56.966 -23.819 4.894 1.00 0.00 O ATOM 640 OD2 ASP A 41 57.713 -25.663 4.069 1.00 0.00 O ATOM 0 H ASP A 41 61.153 -21.845 5.195 1.00 0.00 H new ATOM 0 HA ASP A 41 58.422 -21.910 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.599 -23.985 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.956 -24.413 4.932 1.00 0.00 H new ATOM 645 N LYS A 42 59.639 -22.981 7.000 1.00 0.00 N ATOM 646 CA LYS A 42 59.448 -22.951 8.464 1.00 0.00 C ATOM 647 C LYS A 42 60.807 -22.958 9.165 1.00 0.00 C ATOM 648 O LYS A 42 60.992 -23.645 10.169 1.00 0.00 O ATOM 649 CB LYS A 42 58.618 -24.160 8.966 1.00 0.00 C ATOM 650 CG LYS A 42 57.258 -24.243 8.252 1.00 0.00 C ATOM 651 CD LYS A 42 56.318 -23.149 8.771 1.00 0.00 C ATOM 652 CE LYS A 42 54.923 -23.347 8.175 1.00 0.00 C ATOM 653 NZ LYS A 42 54.976 -23.174 6.697 1.00 0.00 N ATOM 0 H LYS A 42 60.412 -23.569 6.690 1.00 0.00 H new ATOM 0 HA LYS A 42 58.901 -22.039 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.176 -25.081 8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.461 -24.074 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.397 -24.133 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 42 56.812 -25.224 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.268 -23.184 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.704 -22.166 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 42 54.551 -24.341 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 42 54.227 -22.630 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.026 -23.310 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.313 -22.216 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.627 -23.875 6.289 1.00 0.00 H new ATOM 667 N VAL A 43 61.758 -22.191 8.625 1.00 0.00 N ATOM 668 CA VAL A 43 63.105 -22.116 9.197 1.00 0.00 C ATOM 669 C VAL A 43 63.590 -20.671 9.235 1.00 0.00 C ATOM 670 O VAL A 43 63.133 -19.837 8.457 1.00 0.00 O ATOM 671 CB VAL A 43 64.066 -22.953 8.346 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.461 -22.937 8.974 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.555 -24.395 8.265 1.00 0.00 C ATOM 0 H VAL A 43 61.621 -21.615 7.795 1.00 0.00 H new ATOM 0 HA VAL A 43 63.076 -22.503 10.215 1.00 0.00 H new ATOM 0 HB VAL A 43 64.120 -22.530 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.141 -23.533 8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 43 65.825 -21.911 9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.412 -23.355 9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.239 -24.990 7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.497 -24.817 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.565 -24.405 7.810 1.00 0.00 H new ATOM 683 N THR A 44 64.527 -20.378 10.139 1.00 0.00 N ATOM 684 CA THR A 44 65.077 -19.023 10.256 1.00 0.00 C ATOM 685 C THR A 44 66.513 -19.014 9.748 1.00 0.00 C ATOM 686 O THR A 44 67.377 -19.714 10.278 1.00 0.00 O ATOM 687 CB THR A 44 65.042 -18.565 11.721 1.00 0.00 C ATOM 688 OG1 THR A 44 63.794 -18.931 12.295 1.00 0.00 O ATOM 689 CG2 THR A 44 65.202 -17.043 11.803 1.00 0.00 C ATOM 0 H THR A 44 64.919 -21.053 10.796 1.00 0.00 H new ATOM 0 HA THR A 44 64.475 -18.339 9.658 1.00 0.00 H new ATOM 0 HB THR A 44 65.860 -19.041 12.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.767 -18.642 13.231 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.176 -16.730 12.847 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.155 -16.753 11.361 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.389 -16.562 11.259 1.00 0.00 H new ATOM 697 N VAL A 45 66.755 -18.236 8.699 1.00 0.00 N ATOM 698 CA VAL A 45 68.087 -18.150 8.088 1.00 0.00 C ATOM 699 C VAL A 45 68.578 -16.701 8.058 1.00 0.00 C ATOM 700 O VAL A 45 67.945 -15.835 7.454 1.00 0.00 O ATOM 701 CB VAL A 45 68.002 -18.704 6.651 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.378 -19.172 6.157 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.036 -19.892 6.626 1.00 0.00 C ATOM 0 H VAL A 45 66.049 -17.653 8.250 1.00 0.00 H new ATOM 0 HA VAL A 45 68.794 -18.733 8.678 1.00 0.00 H new ATOM 0 HB VAL A 45 67.648 -17.908 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.288 -19.558 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.073 -18.332 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.751 -19.959 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 45 66.972 -20.288 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.399 -20.670 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.048 -19.565 6.951 1.00 0.00 H new ATOM 713 N LYS A 46 69.719 -16.449 8.700 1.00 0.00 N ATOM 714 CA LYS A 46 70.307 -15.108 8.731 1.00 0.00 C ATOM 715 C LYS A 46 71.310 -14.959 7.589 1.00 0.00 C ATOM 716 O LYS A 46 72.065 -15.884 7.293 1.00 0.00 O ATOM 717 CB LYS A 46 71.001 -14.871 10.078 1.00 0.00 C ATOM 718 CG LYS A 46 69.951 -14.773 11.187 1.00 0.00 C ATOM 719 CD LYS A 46 70.650 -14.568 12.531 1.00 0.00 C ATOM 720 CE LYS A 46 69.608 -14.516 13.651 1.00 0.00 C ATOM 721 NZ LYS A 46 70.299 -14.315 14.955 1.00 0.00 N ATOM 0 H LYS A 46 70.255 -17.155 9.205 1.00 0.00 H new ATOM 0 HA LYS A 46 69.517 -14.367 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.693 -15.686 10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.590 -13.954 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.272 -13.944 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.348 -15.680 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.354 -15.380 12.713 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.227 -13.643 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.903 -13.704 13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.031 -15.441 13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.595 -14.279 15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.955 -15.104 15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.831 -13.422 14.932 1.00 0.00 H new ATOM 735 N ILE A 47 71.299 -13.797 6.928 1.00 0.00 N ATOM 736 CA ILE A 47 72.208 -13.553 5.797 1.00 0.00 C ATOM 737 C ILE A 47 72.829 -12.146 5.879 1.00 0.00 C ATOM 738 O ILE A 47 72.129 -11.158 5.658 1.00 0.00 O ATOM 739 CB ILE A 47 71.431 -13.674 4.479 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.922 -15.111 4.309 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.351 -13.322 3.305 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.937 -15.170 3.139 1.00 0.00 C ATOM 0 H ILE A 47 70.680 -13.018 7.151 1.00 0.00 H new ATOM 0 HA ILE A 47 73.006 -14.294 5.838 1.00 0.00 H new ATOM 0 HB ILE A 47 70.585 -12.988 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.759 -15.785 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.435 -15.446 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.797 -13.409 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.712 -12.300 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.199 -14.007 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.576 -16.191 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.094 -14.508 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.439 -14.853 2.225 1.00 0.00 H new ATOM 754 N PRO A 48 74.118 -12.020 6.162 1.00 0.00 N ATOM 755 CA PRO A 48 74.782 -10.677 6.228 1.00 0.00 C ATOM 756 C PRO A 48 74.568 -9.884 4.934 1.00 0.00 C ATOM 757 O PRO A 48 74.500 -10.464 3.852 1.00 0.00 O ATOM 758 CB PRO A 48 76.277 -11.005 6.442 1.00 0.00 C ATOM 759 CG PRO A 48 76.308 -12.392 7.003 1.00 0.00 C ATOM 760 CD PRO A 48 75.069 -13.110 6.465 1.00 0.00 C ATOM 0 HA PRO A 48 74.374 -10.052 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.829 -10.949 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.740 -10.295 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 48 77.218 -12.911 6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.300 -12.369 8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 48 75.303 -13.693 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.659 -13.802 7.201 1.00 0.00 H new ATOM 768 N SER A 49 74.436 -8.560 5.061 1.00 0.00 N ATOM 769 CA SER A 49 74.202 -7.688 3.905 1.00 0.00 C ATOM 770 C SER A 49 75.464 -6.900 3.514 1.00 0.00 C ATOM 771 O SER A 49 75.758 -5.870 4.120 1.00 0.00 O ATOM 772 CB SER A 49 73.089 -6.695 4.255 1.00 0.00 C ATOM 773 OG SER A 49 72.071 -7.378 4.973 1.00 0.00 O ATOM 0 H SER A 49 74.487 -8.068 5.953 1.00 0.00 H new ATOM 0 HA SER A 49 73.921 -8.316 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.489 -5.877 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.678 -6.254 3.347 1.00 0.00 H new ATOM 0 HG SER A 49 72.247 -7.310 5.935 1.00 0.00 H new ATOM 779 N PRO A 50 76.201 -7.332 2.509 1.00 0.00 N ATOM 780 CA PRO A 50 77.421 -6.610 2.048 1.00 0.00 C ATOM 781 C PRO A 50 77.048 -5.520 1.040 1.00 0.00 C ATOM 782 O PRO A 50 77.672 -5.394 -0.013 1.00 0.00 O ATOM 783 CB PRO A 50 78.239 -7.718 1.382 1.00 0.00 C ATOM 784 CG PRO A 50 77.216 -8.643 0.797 1.00 0.00 C ATOM 785 CD PRO A 50 75.973 -8.549 1.698 1.00 0.00 C ATOM 0 HA PRO A 50 77.959 -6.103 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 50 78.897 -7.316 0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 50 78.872 -8.233 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 50 76.975 -8.357 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 50 77.593 -9.665 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 50 75.060 -8.469 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 50 75.870 -9.433 2.327 1.00 0.00 H new ATOM 793 N VAL A 51 75.988 -4.762 1.351 1.00 0.00 N ATOM 794 CA VAL A 51 75.495 -3.720 0.451 1.00 0.00 C ATOM 795 C VAL A 51 75.420 -2.350 1.136 1.00 0.00 C ATOM 796 O VAL A 51 75.295 -2.263 2.358 1.00 0.00 O ATOM 797 CB VAL A 51 74.104 -4.154 -0.014 1.00 0.00 C ATOM 798 CG1 VAL A 51 74.175 -5.614 -0.465 1.00 0.00 C ATOM 799 CG2 VAL A 51 73.127 -4.056 1.163 1.00 0.00 C ATOM 0 H VAL A 51 75.459 -4.853 2.218 1.00 0.00 H new ATOM 0 HA VAL A 51 76.182 -3.606 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 51 73.769 -3.516 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.190 -5.940 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 51 74.887 -5.707 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.499 -6.237 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.133 -4.364 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.463 -4.707 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.089 -3.027 1.520 1.00 0.00 H new ATOM 809 N ARG A 52 75.499 -1.285 0.333 1.00 0.00 N ATOM 810 CA ARG A 52 75.439 0.078 0.858 1.00 0.00 C ATOM 811 C ARG A 52 75.093 1.071 -0.253 1.00 0.00 C ATOM 812 O ARG A 52 75.696 1.045 -1.326 1.00 0.00 O ATOM 813 CB ARG A 52 76.790 0.445 1.477 1.00 0.00 C ATOM 814 CG ARG A 52 76.718 1.843 2.090 1.00 0.00 C ATOM 815 CD ARG A 52 78.032 2.150 2.810 1.00 0.00 C ATOM 816 NE ARG A 52 79.127 2.234 1.850 1.00 0.00 N ATOM 817 CZ ARG A 52 80.390 2.316 2.257 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.668 2.314 3.531 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.351 2.407 1.378 1.00 0.00 N ATOM 0 H ARG A 52 75.604 -1.342 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 52 74.660 0.127 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.060 -0.284 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.570 0.412 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.535 2.584 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 52 75.884 1.903 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 52 77.945 3.090 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.242 1.373 3.545 1.00 0.00 H new ATOM 0 HE ARG A 52 78.921 2.230 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 52 79.916 2.249 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.638 2.377 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.132 2.415 0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.321 2.470 1.687 1.00 0.00 H new ATOM 833 N GLY A 53 74.126 1.953 0.008 1.00 0.00 N ATOM 834 CA GLY A 53 73.731 2.949 -0.991 1.00 0.00 C ATOM 835 C GLY A 53 72.481 3.725 -0.560 1.00 0.00 C ATOM 836 O GLY A 53 72.372 4.141 0.594 1.00 0.00 O ATOM 0 H GLY A 53 73.610 1.999 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.553 3.646 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.540 2.453 -1.943 1.00 0.00 H new ATOM 840 N LYS A 54 71.541 3.931 -1.497 1.00 0.00 N ATOM 841 CA LYS A 54 70.308 4.677 -1.203 1.00 0.00 C ATOM 842 C LYS A 54 69.085 3.832 -1.547 1.00 0.00 C ATOM 843 O LYS A 54 69.014 3.244 -2.624 1.00 0.00 O ATOM 844 CB LYS A 54 70.283 5.967 -2.033 1.00 0.00 C ATOM 845 CG LYS A 54 69.057 6.805 -1.666 1.00 0.00 C ATOM 846 CD LYS A 54 69.076 8.101 -2.480 1.00 0.00 C ATOM 847 CE LYS A 54 67.849 8.948 -2.133 1.00 0.00 C ATOM 848 NZ LYS A 54 68.059 9.614 -0.817 1.00 0.00 N ATOM 0 H LYS A 54 71.611 3.594 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 54 70.285 4.919 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.192 6.541 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.263 5.725 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.144 6.246 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.061 7.030 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 54 69.987 8.661 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.082 7.872 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.680 9.696 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 54 66.959 8.320 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.281 10.280 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 68.082 8.896 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.961 10.131 -0.830 1.00 0.00 H new ATOM 862 N ILE A 55 68.121 3.766 -0.624 1.00 0.00 N ATOM 863 CA ILE A 55 66.913 2.975 -0.850 1.00 0.00 C ATOM 864 C ILE A 55 65.842 3.873 -1.478 1.00 0.00 C ATOM 865 O ILE A 55 65.485 4.907 -0.914 1.00 0.00 O ATOM 866 CB ILE A 55 66.426 2.421 0.502 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.637 2.050 1.372 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.576 1.165 0.286 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.605 1.147 0.595 1.00 0.00 C ATOM 0 H ILE A 55 68.154 4.245 0.276 1.00 0.00 H new ATOM 0 HA ILE A 55 67.117 2.143 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 55 65.827 3.186 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.153 2.955 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.300 1.540 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.238 0.784 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.711 1.412 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.173 0.404 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.456 0.896 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.091 0.233 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.957 1.671 -0.294 1.00 0.00 H new ATOM 881 N VAL A 56 65.363 3.499 -2.669 1.00 0.00 N ATOM 882 CA VAL A 56 64.370 4.319 -3.372 1.00 0.00 C ATOM 883 C VAL A 56 62.931 3.980 -2.966 1.00 0.00 C ATOM 884 O VAL A 56 62.158 4.879 -2.634 1.00 0.00 O ATOM 885 CB VAL A 56 64.546 4.158 -4.900 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.314 4.686 -5.651 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.780 4.946 -5.357 1.00 0.00 C ATOM 0 H VAL A 56 65.640 2.649 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 56 64.544 5.356 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 56 64.669 3.098 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.461 4.562 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.431 4.128 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.175 5.743 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.905 4.833 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.648 6.001 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.665 4.565 -4.847 1.00 0.00 H new ATOM 897 N LYS A 57 62.553 2.701 -3.019 1.00 0.00 N ATOM 898 CA LYS A 57 61.177 2.323 -2.676 1.00 0.00 C ATOM 899 C LYS A 57 61.090 0.873 -2.213 1.00 0.00 C ATOM 900 O LYS A 57 61.985 0.070 -2.468 1.00 0.00 O ATOM 901 CB LYS A 57 60.274 2.533 -3.897 1.00 0.00 C ATOM 902 CG LYS A 57 58.803 2.529 -3.471 1.00 0.00 C ATOM 903 CD LYS A 57 57.925 2.866 -4.677 1.00 0.00 C ATOM 904 CE LYS A 57 56.454 2.845 -4.260 1.00 0.00 C ATOM 905 NZ LYS A 57 56.216 3.903 -3.240 1.00 0.00 N ATOM 0 H LYS A 57 63.160 1.927 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 57 60.846 2.955 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.518 3.479 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.451 1.745 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.531 1.552 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.641 3.256 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.189 3.848 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.097 2.147 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 57 55.816 3.011 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.193 1.868 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.199 4.113 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.548 3.571 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.735 4.764 -3.506 1.00 0.00 H new ATOM 919 N ILE A 58 59.995 0.546 -1.527 1.00 0.00 N ATOM 920 CA ILE A 58 59.770 -0.804 -1.017 1.00 0.00 C ATOM 921 C ILE A 58 58.464 -1.380 -1.569 1.00 0.00 C ATOM 922 O ILE A 58 57.395 -0.791 -1.405 1.00 0.00 O ATOM 923 CB ILE A 58 59.700 -0.743 0.516 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.759 -2.165 1.093 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.401 -0.040 0.951 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.259 -2.176 2.545 1.00 0.00 C ATOM 0 H ILE A 58 59.246 1.204 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 58 60.589 -1.450 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 58 60.549 -0.174 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.150 -2.836 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.782 -2.539 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.356 0.001 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.383 0.973 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.543 -0.595 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.307 -3.191 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.886 -1.522 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.228 -1.823 2.578 1.00 0.00 H new ATOM 938 N LEU A 59 58.561 -2.538 -2.218 1.00 0.00 N ATOM 939 CA LEU A 59 57.392 -3.207 -2.790 1.00 0.00 C ATOM 940 C LEU A 59 56.909 -4.334 -1.877 1.00 0.00 C ATOM 941 O LEU A 59 55.787 -4.820 -2.019 1.00 0.00 O ATOM 942 CB LEU A 59 57.739 -3.778 -4.168 1.00 0.00 C ATOM 943 CG LEU A 59 58.106 -2.646 -5.139 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.587 -3.258 -6.459 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.883 -1.746 -5.407 1.00 0.00 C ATOM 0 H LEU A 59 59.440 -3.035 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 59 56.593 -2.472 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.572 -4.475 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.892 -4.341 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 59 58.895 -2.039 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.850 -2.461 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.462 -3.881 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.792 -3.867 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.162 -0.949 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.082 -2.342 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.540 -1.310 -4.469 1.00 0.00 H new ATOM 957 N TYR A 60 57.765 -4.755 -0.940 1.00 0.00 N ATOM 958 CA TYR A 60 57.420 -5.840 -0.009 1.00 0.00 C ATOM 959 C TYR A 60 57.158 -5.304 1.399 1.00 0.00 C ATOM 960 O TYR A 60 57.806 -4.360 1.852 1.00 0.00 O ATOM 961 CB TYR A 60 58.556 -6.886 0.020 1.00 0.00 C ATOM 962 CG TYR A 60 58.361 -7.873 -1.124 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.291 -7.402 -2.446 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.226 -9.251 -0.866 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.092 -8.300 -3.501 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.024 -10.142 -1.928 1.00 0.00 C ATOM 967 CZ TYR A 60 57.957 -9.667 -3.242 1.00 0.00 C ATOM 968 OH TYR A 60 57.757 -10.553 -4.282 1.00 0.00 O ATOM 0 H TYR A 60 58.698 -4.365 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 60 56.503 -6.312 -0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.523 -6.392 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.556 -7.413 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.391 -6.346 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.278 -9.620 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.043 -7.936 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.920 -11.199 -1.732 1.00 0.00 H new ATOM 0 HH TYR A 60 58.394 -11.294 -4.207 1.00 0.00 H new ATOM 978 N ARG A 61 56.191 -5.927 2.080 1.00 0.00 N ATOM 979 CA ARG A 61 55.814 -5.536 3.442 1.00 0.00 C ATOM 980 C ARG A 61 55.931 -6.729 4.386 1.00 0.00 C ATOM 981 O ARG A 61 56.040 -7.875 3.949 1.00 0.00 O ATOM 982 CB ARG A 61 54.374 -5.014 3.451 1.00 0.00 C ATOM 983 CG ARG A 61 54.311 -3.685 2.697 1.00 0.00 C ATOM 984 CD ARG A 61 52.870 -3.177 2.676 1.00 0.00 C ATOM 985 NE ARG A 61 52.790 -1.915 1.945 1.00 0.00 N ATOM 986 CZ ARG A 61 52.599 -1.887 0.626 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.497 -3.001 -0.044 1.00 0.00 N ATOM 988 NH2 ARG A 61 52.527 -0.742 0.004 1.00 0.00 N ATOM 0 H ARG A 61 55.652 -6.709 1.707 1.00 0.00 H new ATOM 0 HA ARG A 61 56.488 -4.749 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.709 -5.741 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.031 -4.880 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.959 -2.952 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.677 -3.815 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.222 -3.918 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.511 -3.038 3.696 1.00 0.00 H new ATOM 0 HE ARG A 61 52.882 -1.036 2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 61 52.563 -3.896 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.351 -2.978 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.617 0.129 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 61 52.381 -0.718 -1.005 1.00 0.00 H new ATOM 1002 N GLU A 62 55.921 -6.451 5.686 1.00 0.00 N ATOM 1003 CA GLU A 62 56.041 -7.511 6.691 1.00 0.00 C ATOM 1004 C GLU A 62 54.915 -8.534 6.567 1.00 0.00 C ATOM 1005 O GLU A 62 53.744 -8.175 6.446 1.00 0.00 O ATOM 1006 CB GLU A 62 56.015 -6.909 8.101 1.00 0.00 C ATOM 1007 CG GLU A 62 57.290 -6.102 8.345 1.00 0.00 C ATOM 1008 CD GLU A 62 57.258 -5.488 9.742 1.00 0.00 C ATOM 1009 OE1 GLU A 62 56.197 -5.048 10.150 1.00 0.00 O ATOM 1010 OE2 GLU A 62 58.296 -5.469 10.383 1.00 0.00 O ATOM 0 H GLU A 62 55.832 -5.510 6.070 1.00 0.00 H new ATOM 0 HA GLU A 62 56.991 -8.017 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 62 55.141 -6.268 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.929 -7.703 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.163 -6.746 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.382 -5.316 7.595 1.00 0.00 H new ATOM 1017 N GLY A 63 55.280 -9.815 6.623 1.00 0.00 N ATOM 1018 CA GLY A 63 54.286 -10.892 6.540 1.00 0.00 C ATOM 1019 C GLY A 63 53.876 -11.182 5.099 1.00 0.00 C ATOM 1020 O GLY A 63 52.972 -11.981 4.858 1.00 0.00 O ATOM 0 H GLY A 63 56.244 -10.133 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.694 -11.797 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.405 -10.617 7.119 1.00 0.00 H new ATOM 1024 N GLN A 64 54.531 -10.534 4.143 1.00 0.00 N ATOM 1025 CA GLN A 64 54.197 -10.744 2.737 1.00 0.00 C ATOM 1026 C GLN A 64 54.879 -12.004 2.198 1.00 0.00 C ATOM 1027 O GLN A 64 56.050 -12.257 2.481 1.00 0.00 O ATOM 1028 CB GLN A 64 54.620 -9.530 1.909 1.00 0.00 C ATOM 1029 CG GLN A 64 54.154 -9.714 0.464 1.00 0.00 C ATOM 1030 CD GLN A 64 54.382 -8.432 -0.327 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.492 -7.354 0.258 1.00 0.00 O ATOM 1032 NE2 GLN A 64 54.460 -8.484 -1.629 1.00 0.00 N ATOM 0 H GLN A 64 55.286 -9.868 4.310 1.00 0.00 H new ATOM 0 HA GLN A 64 53.118 -10.874 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.189 -8.621 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.703 -9.413 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.697 -10.538 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.097 -9.979 0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.368 -9.379 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.613 -7.630 -2.165 1.00 0.00 H new ATOM 1041 N VAL A 65 54.129 -12.789 1.419 1.00 0.00 N ATOM 1042 CA VAL A 65 54.649 -14.030 0.829 1.00 0.00 C ATOM 1043 C VAL A 65 54.438 -14.006 -0.684 1.00 0.00 C ATOM 1044 O VAL A 65 53.353 -13.661 -1.155 1.00 0.00 O ATOM 1045 CB VAL A 65 53.918 -15.235 1.433 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.405 -15.032 1.320 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.320 -16.511 0.686 1.00 0.00 C ATOM 0 H VAL A 65 53.158 -12.588 1.181 1.00 0.00 H new ATOM 0 HA VAL A 65 55.715 -14.112 1.043 1.00 0.00 H new ATOM 0 HB VAL A 65 54.192 -15.329 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.890 -15.891 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.118 -14.129 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.129 -14.932 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.799 -17.365 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.052 -16.416 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.396 -16.660 0.774 1.00 0.00 H new ATOM 1057 N VAL A 66 55.480 -14.355 -1.447 1.00 0.00 N ATOM 1058 CA VAL A 66 55.389 -14.338 -2.916 1.00 0.00 C ATOM 1059 C VAL A 66 56.281 -15.422 -3.555 1.00 0.00 C ATOM 1060 O VAL A 66 57.408 -15.624 -3.102 1.00 0.00 O ATOM 1061 CB VAL A 66 55.869 -12.973 -3.417 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.456 -12.761 -4.873 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.259 -11.864 -2.564 1.00 0.00 C ATOM 0 H VAL A 66 56.385 -14.649 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 66 54.353 -14.530 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 66 56.956 -12.944 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.806 -11.786 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.898 -13.541 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.370 -12.805 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.604 -10.895 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.172 -11.910 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.564 -11.994 -1.526 1.00 0.00 H new ATOM 1073 N PRO A 67 55.851 -16.094 -4.619 1.00 0.00 N ATOM 1074 CA PRO A 67 56.716 -17.107 -5.301 1.00 0.00 C ATOM 1075 C PRO A 67 58.062 -16.502 -5.719 1.00 0.00 C ATOM 1076 O PRO A 67 58.143 -15.325 -6.070 1.00 0.00 O ATOM 1077 CB PRO A 67 55.901 -17.539 -6.535 1.00 0.00 C ATOM 1078 CG PRO A 67 54.480 -17.198 -6.217 1.00 0.00 C ATOM 1079 CD PRO A 67 54.521 -15.998 -5.267 1.00 0.00 C ATOM 0 HA PRO A 67 56.959 -17.944 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.239 -17.017 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.015 -18.606 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 67 53.927 -16.955 -7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 67 53.973 -18.044 -5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.408 -15.058 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.716 -16.043 -4.533 1.00 0.00 H new ATOM 1087 N VAL A 68 59.115 -17.314 -5.672 1.00 0.00 N ATOM 1088 CA VAL A 68 60.453 -16.850 -6.041 1.00 0.00 C ATOM 1089 C VAL A 68 60.507 -16.479 -7.523 1.00 0.00 C ATOM 1090 O VAL A 68 60.091 -17.252 -8.386 1.00 0.00 O ATOM 1091 CB VAL A 68 61.482 -17.955 -5.724 1.00 0.00 C ATOM 1092 CG1 VAL A 68 60.938 -19.309 -6.182 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.814 -17.679 -6.436 1.00 0.00 C ATOM 0 H VAL A 68 59.070 -18.291 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 68 60.692 -15.957 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 68 61.654 -17.967 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 68 61.666 -20.088 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.005 -19.522 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 68 60.754 -19.283 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.525 -18.471 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.651 -17.649 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.213 -16.721 -6.103 1.00 0.00 H new ATOM 1103 N GLY A 69 61.034 -15.285 -7.802 1.00 0.00 N ATOM 1104 CA GLY A 69 61.160 -14.795 -9.180 1.00 0.00 C ATOM 1105 C GLY A 69 60.675 -13.349 -9.303 1.00 0.00 C ATOM 1106 O GLY A 69 59.830 -13.045 -10.145 1.00 0.00 O ATOM 0 H GLY A 69 61.381 -14.638 -7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.201 -14.860 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.582 -15.433 -9.849 1.00 0.00 H new ATOM 1110 N SER A 70 61.207 -12.457 -8.465 1.00 0.00 N ATOM 1111 CA SER A 70 60.801 -11.053 -8.514 1.00 0.00 C ATOM 1112 C SER A 70 61.837 -10.153 -7.842 1.00 0.00 C ATOM 1113 O SER A 70 62.759 -10.635 -7.186 1.00 0.00 O ATOM 1114 CB SER A 70 59.452 -10.882 -7.821 1.00 0.00 C ATOM 1115 OG SER A 70 58.565 -11.897 -8.273 1.00 0.00 O ATOM 0 H SER A 70 61.907 -12.677 -7.757 1.00 0.00 H new ATOM 0 HA SER A 70 60.720 -10.761 -9.561 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.574 -10.944 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.039 -9.897 -8.039 1.00 0.00 H new ATOM 0 HG SER A 70 58.790 -12.142 -9.195 1.00 0.00 H new ATOM 1121 N THR A 71 61.664 -8.840 -8.007 1.00 0.00 N ATOM 1122 CA THR A 71 62.578 -7.859 -7.413 1.00 0.00 C ATOM 1123 C THR A 71 61.972 -7.297 -6.130 1.00 0.00 C ATOM 1124 O THR A 71 60.957 -6.601 -6.164 1.00 0.00 O ATOM 1125 CB THR A 71 62.821 -6.722 -8.409 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.476 -7.235 -9.560 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.697 -5.646 -7.764 1.00 0.00 C ATOM 0 H THR A 71 60.901 -8.431 -8.546 1.00 0.00 H new ATOM 0 HA THR A 71 63.525 -8.345 -7.177 1.00 0.00 H new ATOM 0 HB THR A 71 61.865 -6.284 -8.695 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.631 -6.509 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.867 -4.839 -8.477 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.196 -5.250 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.653 -6.081 -7.474 1.00 0.00 H new ATOM 1135 N LEU A 72 62.592 -7.620 -4.998 1.00 0.00 N ATOM 1136 CA LEU A 72 62.099 -7.160 -3.702 1.00 0.00 C ATOM 1137 C LEU A 72 62.260 -5.654 -3.527 1.00 0.00 C ATOM 1138 O LEU A 72 61.375 -4.984 -2.995 1.00 0.00 O ATOM 1139 CB LEU A 72 62.870 -7.847 -2.575 1.00 0.00 C ATOM 1140 CG LEU A 72 62.594 -9.355 -2.555 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.503 -10.000 -1.508 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.121 -9.630 -2.202 1.00 0.00 C ATOM 0 H LEU A 72 63.433 -8.196 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 72 61.039 -7.410 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.938 -7.672 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.587 -7.410 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 72 62.794 -9.774 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.320 -11.074 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.545 -9.816 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.292 -9.570 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 72 60.944 -10.705 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.899 -9.217 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.475 -9.162 -2.945 1.00 0.00 H new ATOM 1154 N LEU A 73 63.419 -5.137 -3.925 1.00 0.00 N ATOM 1155 CA LEU A 73 63.712 -3.716 -3.756 1.00 0.00 C ATOM 1156 C LEU A 73 64.679 -3.246 -4.845 1.00 0.00 C ATOM 1157 O LEU A 73 65.571 -3.989 -5.255 1.00 0.00 O ATOM 1158 CB LEU A 73 64.345 -3.526 -2.362 1.00 0.00 C ATOM 1159 CG LEU A 73 64.061 -2.128 -1.791 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.632 -2.057 -0.368 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.702 -1.035 -2.670 1.00 0.00 C ATOM 0 H LEU A 73 64.166 -5.676 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 73 62.799 -3.127 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.956 -4.283 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.422 -3.680 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 73 62.985 -1.957 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.439 -1.070 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.156 -2.816 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.707 -2.235 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.487 -0.054 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.781 -1.185 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.292 -1.092 -3.678 1.00 0.00 H new ATOM 1173 N GLN A 74 64.520 -1.999 -5.288 1.00 0.00 N ATOM 1174 CA GLN A 74 65.413 -1.427 -6.310 1.00 0.00 C ATOM 1175 C GLN A 74 66.379 -0.469 -5.615 1.00 0.00 C ATOM 1176 O GLN A 74 65.957 0.358 -4.808 1.00 0.00 O ATOM 1177 CB GLN A 74 64.597 -0.684 -7.388 1.00 0.00 C ATOM 1178 CG GLN A 74 64.171 -1.651 -8.507 1.00 0.00 C ATOM 1179 CD GLN A 74 63.295 -0.920 -9.518 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.664 0.149 -10.004 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.143 -1.432 -9.860 1.00 0.00 N ATOM 0 H GLN A 74 63.790 -1.366 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 74 65.968 -2.222 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.715 -0.231 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.192 0.127 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.052 -2.058 -9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.626 -2.494 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 74 61.839 -2.318 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 74 61.548 -0.946 -10.531 1.00 0.00 H new ATOM 1190 N ILE A 75 67.682 -0.607 -5.893 1.00 0.00 N ATOM 1191 CA ILE A 75 68.684 0.239 -5.234 1.00 0.00 C ATOM 1192 C ILE A 75 69.658 0.836 -6.238 1.00 0.00 C ATOM 1193 O ILE A 75 70.270 0.123 -7.032 1.00 0.00 O ATOM 1194 CB ILE A 75 69.452 -0.607 -4.214 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.468 -1.276 -3.245 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.399 0.283 -3.410 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.212 -2.279 -2.370 1.00 0.00 C ATOM 0 H ILE A 75 68.061 -1.283 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 75 68.170 1.063 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 75 70.021 -1.367 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 75 67.986 -0.522 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.679 -1.780 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 75 70.942 -0.324 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.107 0.764 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 75 69.824 1.045 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.511 -2.753 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.673 -3.040 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 75 69.985 -1.762 -1.801 1.00 0.00 H new ATOM 1209 N ASP A 76 69.806 2.158 -6.181 1.00 0.00 N ATOM 1210 CA ASP A 76 70.724 2.865 -7.075 1.00 0.00 C ATOM 1211 C ASP A 76 72.100 2.973 -6.427 1.00 0.00 C ATOM 1212 O ASP A 76 72.210 3.200 -5.221 1.00 0.00 O ATOM 1213 CB ASP A 76 70.198 4.270 -7.375 1.00 0.00 C ATOM 1214 CG ASP A 76 68.919 4.191 -8.201 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.665 3.138 -8.764 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.214 5.184 -8.262 1.00 0.00 O ATOM 0 H ASP A 76 69.305 2.760 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 76 70.800 2.304 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.005 4.800 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.953 4.841 -7.915 1.00 0.00 H new ATOM 1221 N THR A 77 73.146 2.815 -7.227 1.00 0.00 N ATOM 1222 CA THR A 77 74.505 2.903 -6.705 1.00 0.00 C ATOM 1223 C THR A 77 74.844 4.343 -6.333 1.00 0.00 C ATOM 1224 O THR A 77 73.991 5.198 -6.510 1.00 0.00 O ATOM 1225 CB THR A 77 75.503 2.395 -7.747 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.825 2.694 -7.322 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.233 3.070 -9.093 1.00 0.00 C ATOM 1228 OXT THR A 77 75.953 4.571 -5.880 1.00 0.00 O ATOM 0 H THR A 77 73.083 2.628 -8.228 1.00 0.00 H new ATOM 0 HA THR A 77 74.569 2.283 -5.811 1.00 0.00 H new ATOM 0 HB THR A 77 75.391 1.316 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.795 3.152 -6.456 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.946 2.705 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.220 2.837 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.341 4.149 -8.987 1.00 0.00 H new TER 1236 THR A 77