USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 657 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.436 K(o=-0.44,f=-3.7!) USER MOD Single : A 39 GLN : amide:sc= -2.32! C(o=-2.3!,f=-6.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -29:sc= 0.348 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.383 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0737 K(o=-0.074,f=-2.2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -137:sc= -0.0404 (180deg=-0.959) USER MOD Single : A 102 MET CE :methyl -155:sc= -2.35! (180deg=-3.67!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -4.276 19.206 8.810 1.00 0.00 N ATOM 2 CA LYS A 29 -3.707 19.404 7.447 1.00 0.00 C ATOM 3 C LYS A 29 -3.502 18.044 6.778 1.00 0.00 C ATOM 4 O LYS A 29 -2.396 17.664 6.448 1.00 0.00 O ATOM 5 CB LYS A 29 -2.363 20.127 7.556 1.00 0.00 C ATOM 6 CG LYS A 29 -2.567 21.488 8.224 1.00 0.00 C ATOM 7 CD LYS A 29 -1.221 22.206 8.344 1.00 0.00 C ATOM 8 CE LYS A 29 -1.439 23.609 8.913 1.00 0.00 C ATOM 9 NZ LYS A 29 -0.127 24.308 9.026 1.00 0.00 N ATOM 0 HA LYS A 29 -4.394 20.003 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.662 19.527 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.927 20.258 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.262 22.091 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.011 21.357 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.551 21.640 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.742 22.269 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.110 24.175 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.915 23.546 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.274 25.262 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.499 23.771 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.310 24.380 8.085 1.00 0.00 H new ATOM 22 N GLY A 30 -4.559 17.307 6.574 1.00 0.00 N ATOM 23 CA GLY A 30 -4.423 15.971 5.926 1.00 0.00 C ATOM 24 C GLY A 30 -5.803 15.329 5.781 1.00 0.00 C ATOM 25 O GLY A 30 -6.718 15.626 6.524 1.00 0.00 O ATOM 0 H GLY A 30 -5.511 17.572 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.955 16.076 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.774 15.330 6.523 1.00 0.00 H new ATOM 29 N ASP A 31 -5.962 14.451 4.830 1.00 0.00 N ATOM 30 CA ASP A 31 -7.284 13.790 4.638 1.00 0.00 C ATOM 31 C ASP A 31 -7.078 12.409 4.014 1.00 0.00 C ATOM 32 O ASP A 31 -7.696 12.065 3.026 1.00 0.00 O ATOM 33 CB ASP A 31 -8.152 14.645 3.711 1.00 0.00 C ATOM 34 CG ASP A 31 -9.619 14.240 3.868 1.00 0.00 C ATOM 35 OD1 ASP A 31 -10.064 14.126 4.998 1.00 0.00 O ATOM 36 OD2 ASP A 31 -10.272 14.051 2.855 1.00 0.00 O ATOM 0 H ASP A 31 -5.234 14.162 4.177 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.780 13.682 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.028 15.701 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.836 14.514 2.676 1.00 0.00 H new ATOM 41 N GLY A 32 -6.212 11.614 4.582 1.00 0.00 N ATOM 42 CA GLY A 32 -5.967 10.256 4.019 1.00 0.00 C ATOM 43 C GLY A 32 -4.549 10.186 3.450 1.00 0.00 C ATOM 44 O GLY A 32 -4.158 10.995 2.632 1.00 0.00 O ATOM 0 H GLY A 32 -5.664 11.846 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.097 9.501 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.695 10.038 3.237 1.00 0.00 H new ATOM 48 N VAL A 33 -3.775 9.226 3.876 1.00 0.00 N ATOM 49 CA VAL A 33 -2.383 9.107 3.359 1.00 0.00 C ATOM 50 C VAL A 33 -2.019 7.628 3.209 1.00 0.00 C ATOM 51 O VAL A 33 -1.574 6.991 4.142 1.00 0.00 O ATOM 52 CB VAL A 33 -1.416 9.773 4.339 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.020 9.584 3.849 1.00 0.00 C ATOM 54 CG2 VAL A 33 -1.731 11.268 4.428 1.00 0.00 C ATOM 0 H VAL A 33 -4.046 8.519 4.560 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.313 9.599 2.389 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.526 9.318 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.708 10.059 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.245 8.519 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.131 10.039 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.042 11.744 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.621 11.722 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.754 11.404 4.778 1.00 0.00 H new ATOM 64 N VAL A 34 -2.205 7.078 2.040 1.00 0.00 N ATOM 65 CA VAL A 34 -1.868 5.641 1.832 1.00 0.00 C ATOM 66 C VAL A 34 -0.440 5.525 1.297 1.00 0.00 C ATOM 67 O VAL A 34 -0.159 5.876 0.168 1.00 0.00 O ATOM 68 CB VAL A 34 -2.842 5.031 0.822 1.00 0.00 C ATOM 69 CG1 VAL A 34 -2.399 3.607 0.482 1.00 0.00 C ATOM 70 CG2 VAL A 34 -4.247 4.996 1.428 1.00 0.00 C ATOM 0 H VAL A 34 -2.575 7.561 1.221 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.945 5.108 2.780 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.851 5.635 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.093 3.172 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.398 3.630 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.390 3.002 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.942 4.562 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.237 4.391 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.564 6.010 1.672 1.00 0.00 H new ATOM 80 N ARG A 35 0.466 5.036 2.099 1.00 0.00 N ATOM 81 CA ARG A 35 1.875 4.899 1.635 1.00 0.00 C ATOM 82 C ARG A 35 2.086 3.504 1.045 1.00 0.00 C ATOM 83 O ARG A 35 1.717 2.507 1.634 1.00 0.00 O ATOM 84 CB ARG A 35 2.824 5.100 2.819 1.00 0.00 C ATOM 85 CG ARG A 35 2.667 6.521 3.364 1.00 0.00 C ATOM 86 CD ARG A 35 3.844 6.848 4.284 1.00 0.00 C ATOM 87 NE ARG A 35 3.488 8.005 5.153 1.00 0.00 N ATOM 88 CZ ARG A 35 4.188 8.256 6.225 1.00 0.00 C ATOM 89 NH1 ARG A 35 4.591 7.275 6.985 1.00 0.00 N ATOM 90 NH2 ARG A 35 4.485 9.488 6.537 1.00 0.00 N ATOM 0 H ARG A 35 0.291 4.726 3.055 1.00 0.00 H new ATOM 0 HA ARG A 35 2.080 5.650 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.606 4.373 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.854 4.931 2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.626 7.235 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.728 6.610 3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.092 5.982 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.728 7.083 3.692 1.00 0.00 H new ATOM 0 HE ARG A 35 2.697 8.601 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.359 6.312 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.138 7.471 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.170 10.255 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.032 9.684 7.375 1.00 0.00 H new ATOM 104 N ILE A 36 2.678 3.424 -0.115 1.00 0.00 N ATOM 105 CA ILE A 36 2.914 2.094 -0.742 1.00 0.00 C ATOM 106 C ILE A 36 4.399 1.946 -1.077 1.00 0.00 C ATOM 107 O ILE A 36 4.985 2.788 -1.730 1.00 0.00 O ATOM 108 CB ILE A 36 2.087 1.980 -2.024 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.603 2.148 -1.688 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.313 0.607 -2.659 1.00 0.00 C ATOM 111 CD1 ILE A 36 -0.076 2.985 -2.773 1.00 0.00 C ATOM 0 H ILE A 36 3.009 4.223 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 36 2.618 1.307 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 36 2.393 2.757 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.124 1.172 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.492 2.632 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.723 0.527 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.370 0.486 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.007 -0.172 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.133 3.104 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.397 3.966 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.023 2.483 -3.735 1.00 0.00 H new ATOM 123 N GLN A 37 5.015 0.884 -0.636 1.00 0.00 N ATOM 124 CA GLN A 37 6.462 0.686 -0.929 1.00 0.00 C ATOM 125 C GLN A 37 6.773 -0.811 -0.981 1.00 0.00 C ATOM 126 O GLN A 37 5.884 -1.639 -1.017 1.00 0.00 O ATOM 127 CB GLN A 37 7.298 1.342 0.171 1.00 0.00 C ATOM 128 CG GLN A 37 6.824 0.845 1.538 1.00 0.00 C ATOM 129 CD GLN A 37 6.785 2.016 2.523 1.00 0.00 C ATOM 130 OE1 GLN A 37 7.052 3.143 2.155 1.00 0.00 O ATOM 131 NE2 GLN A 37 6.461 1.795 3.767 1.00 0.00 N ATOM 0 H GLN A 37 4.579 0.145 -0.085 1.00 0.00 H new ATOM 0 HA GLN A 37 6.703 1.140 -1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.353 1.104 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.206 2.427 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.834 0.397 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.494 0.068 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.237 0.849 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.432 2.568 4.431 1.00 0.00 H new ATOM 140 N ARG A 38 8.029 -1.166 -0.986 1.00 0.00 N ATOM 141 CA ARG A 38 8.396 -2.609 -1.037 1.00 0.00 C ATOM 142 C ARG A 38 9.539 -2.880 -0.058 1.00 0.00 C ATOM 143 O ARG A 38 10.617 -2.332 -0.180 1.00 0.00 O ATOM 144 CB ARG A 38 8.842 -2.972 -2.455 1.00 0.00 C ATOM 145 CG ARG A 38 10.057 -2.126 -2.840 1.00 0.00 C ATOM 146 CD ARG A 38 10.302 -2.238 -4.345 1.00 0.00 C ATOM 147 NE ARG A 38 11.767 -2.317 -4.606 1.00 0.00 N ATOM 148 CZ ARG A 38 12.204 -2.851 -5.713 1.00 0.00 C ATOM 149 NH1 ARG A 38 11.635 -2.556 -6.850 1.00 0.00 N ATOM 150 NH2 ARG A 38 13.212 -3.679 -5.685 1.00 0.00 N ATOM 0 H ARG A 38 8.817 -0.519 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 38 7.532 -3.213 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.092 -4.032 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.028 -2.800 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.890 -1.085 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.937 -2.463 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.803 -3.123 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.876 -1.376 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 38 12.428 -1.954 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.848 -1.907 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.977 -2.974 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.659 -3.909 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.553 -4.096 -6.551 1.00 0.00 H new ATOM 164 N GLN A 39 9.315 -3.722 0.914 1.00 0.00 N ATOM 165 CA GLN A 39 10.390 -4.027 1.899 1.00 0.00 C ATOM 166 C GLN A 39 11.193 -5.237 1.418 1.00 0.00 C ATOM 167 O GLN A 39 10.667 -6.322 1.265 1.00 0.00 O ATOM 168 CB GLN A 39 9.763 -4.339 3.259 1.00 0.00 C ATOM 169 CG GLN A 39 10.634 -3.748 4.370 1.00 0.00 C ATOM 170 CD GLN A 39 9.977 -4.010 5.727 1.00 0.00 C ATOM 171 OE1 GLN A 39 8.842 -4.438 5.794 1.00 0.00 O ATOM 172 NE2 GLN A 39 10.649 -3.769 6.820 1.00 0.00 N ATOM 0 H GLN A 39 8.434 -4.212 1.068 1.00 0.00 H new ATOM 0 HA GLN A 39 11.051 -3.166 1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.757 -3.924 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.670 -5.417 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.628 -4.194 4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.761 -2.676 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.602 -3.410 6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.221 -3.940 7.730 1.00 0.00 H new ATOM 181 N THR A 40 12.463 -5.061 1.180 1.00 0.00 N ATOM 182 CA THR A 40 13.298 -6.202 0.711 1.00 0.00 C ATOM 183 C THR A 40 14.196 -6.679 1.854 1.00 0.00 C ATOM 184 O THR A 40 14.051 -6.259 2.985 1.00 0.00 O ATOM 185 CB THR A 40 14.166 -5.749 -0.466 1.00 0.00 C ATOM 186 OG1 THR A 40 14.855 -4.558 -0.113 1.00 0.00 O ATOM 187 CG2 THR A 40 13.280 -5.486 -1.684 1.00 0.00 C ATOM 0 H THR A 40 12.959 -4.176 1.290 1.00 0.00 H new ATOM 0 HA THR A 40 12.651 -7.019 0.392 1.00 0.00 H new ATOM 0 HB THR A 40 14.888 -6.529 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.413 -4.268 -0.865 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.899 -5.164 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.752 -6.401 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.557 -4.706 -1.446 1.00 0.00 H new ATOM 195 N SER A 41 15.121 -7.554 1.572 1.00 0.00 N ATOM 196 CA SER A 41 16.024 -8.055 2.646 1.00 0.00 C ATOM 197 C SER A 41 17.048 -9.019 2.045 1.00 0.00 C ATOM 198 O SER A 41 18.238 -8.887 2.254 1.00 0.00 O ATOM 199 CB SER A 41 15.198 -8.784 3.706 1.00 0.00 C ATOM 200 OG SER A 41 15.959 -9.861 4.236 1.00 0.00 O ATOM 0 H SER A 41 15.291 -7.944 0.645 1.00 0.00 H new ATOM 0 HA SER A 41 16.544 -7.214 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.918 -8.095 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.273 -9.158 3.268 1.00 0.00 H new ATOM 0 HG SER A 41 15.433 -10.329 4.917 1.00 0.00 H new ATOM 206 N GLY A 42 16.596 -9.990 1.299 1.00 0.00 N ATOM 207 CA GLY A 42 17.545 -10.962 0.686 1.00 0.00 C ATOM 208 C GLY A 42 17.584 -10.753 -0.828 1.00 0.00 C ATOM 209 O GLY A 42 16.999 -9.826 -1.352 1.00 0.00 O ATOM 0 H GLY A 42 15.611 -10.152 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.541 -10.829 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.236 -11.982 0.915 1.00 0.00 H new ATOM 213 N ARG A 43 18.270 -11.607 -1.536 1.00 0.00 N ATOM 214 CA ARG A 43 18.345 -11.457 -3.017 1.00 0.00 C ATOM 215 C ARG A 43 18.242 -12.834 -3.674 1.00 0.00 C ATOM 216 O ARG A 43 19.095 -13.231 -4.443 1.00 0.00 O ATOM 217 CB ARG A 43 19.677 -10.806 -3.397 1.00 0.00 C ATOM 218 CG ARG A 43 19.412 -9.469 -4.091 1.00 0.00 C ATOM 219 CD ARG A 43 20.720 -8.683 -4.204 1.00 0.00 C ATOM 220 NE ARG A 43 20.970 -8.338 -5.632 1.00 0.00 N ATOM 221 CZ ARG A 43 21.896 -7.472 -5.942 1.00 0.00 C ATOM 222 NH1 ARG A 43 23.091 -7.582 -5.429 1.00 0.00 N ATOM 223 NH2 ARG A 43 21.626 -6.495 -6.764 1.00 0.00 N ATOM 0 H ARG A 43 18.782 -12.402 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 43 17.524 -10.829 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 43 20.285 -10.651 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 43 20.241 -11.465 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 43 18.991 -9.639 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 43 18.678 -8.894 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 43 20.664 -7.775 -3.604 1.00 0.00 H new ATOM 0 HD3 ARG A 43 21.547 -9.274 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 43 20.417 -8.779 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 43 23.302 -8.345 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 43 23.814 -6.905 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 43 20.692 -6.408 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 43 22.349 -5.818 -7.007 1.00 0.00 H new ATOM 237 N LYS A 44 17.204 -13.567 -3.376 1.00 0.00 N ATOM 238 CA LYS A 44 17.047 -14.919 -3.983 1.00 0.00 C ATOM 239 C LYS A 44 15.588 -15.364 -3.867 1.00 0.00 C ATOM 240 O LYS A 44 15.293 -16.538 -3.766 1.00 0.00 O ATOM 241 CB LYS A 44 17.945 -15.916 -3.246 1.00 0.00 C ATOM 242 CG LYS A 44 17.884 -15.642 -1.741 1.00 0.00 C ATOM 243 CD LYS A 44 18.803 -16.620 -1.006 1.00 0.00 C ATOM 244 CE LYS A 44 18.686 -16.395 0.502 1.00 0.00 C ATOM 245 NZ LYS A 44 19.316 -17.536 1.225 1.00 0.00 N ATOM 0 H LYS A 44 16.458 -13.288 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 44 17.332 -14.881 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.622 -16.936 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.972 -15.828 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.188 -14.616 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.860 -15.749 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.532 -17.646 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.835 -16.477 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.174 -15.461 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.638 -16.304 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.237 -17.383 2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.832 -18.420 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.320 -17.602 0.962 1.00 0.00 H new ATOM 259 N GLY A 45 14.671 -14.434 -3.880 1.00 0.00 N ATOM 260 CA GLY A 45 13.232 -14.805 -3.770 1.00 0.00 C ATOM 261 C GLY A 45 12.367 -13.679 -4.340 1.00 0.00 C ATOM 262 O GLY A 45 12.524 -13.277 -5.476 1.00 0.00 O ATOM 0 H GLY A 45 14.857 -13.434 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.043 -15.732 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.971 -14.985 -2.727 1.00 0.00 H new ATOM 266 N LYS A 46 11.455 -13.164 -3.560 1.00 0.00 N ATOM 267 CA LYS A 46 10.583 -12.064 -4.059 1.00 0.00 C ATOM 268 C LYS A 46 10.522 -10.947 -3.014 1.00 0.00 C ATOM 269 O LYS A 46 11.431 -10.770 -2.227 1.00 0.00 O ATOM 270 CB LYS A 46 9.173 -12.603 -4.310 1.00 0.00 C ATOM 271 CG LYS A 46 9.260 -13.949 -5.032 1.00 0.00 C ATOM 272 CD LYS A 46 7.850 -14.436 -5.375 1.00 0.00 C ATOM 273 CE LYS A 46 7.922 -15.442 -6.525 1.00 0.00 C ATOM 274 NZ LYS A 46 6.558 -15.969 -6.810 1.00 0.00 N ATOM 0 H LYS A 46 11.277 -13.458 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 46 10.993 -11.671 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.643 -12.720 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.603 -11.893 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.853 -13.848 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.765 -14.680 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.391 -14.899 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.221 -13.592 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.332 -14.965 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.593 -16.261 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.606 -16.653 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.183 -16.439 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.931 -15.183 -7.076 1.00 0.00 H new ATOM 288 N GLY A 47 9.458 -10.191 -3.001 1.00 0.00 N ATOM 289 CA GLY A 47 9.340 -9.086 -2.007 1.00 0.00 C ATOM 290 C GLY A 47 7.894 -8.990 -1.516 1.00 0.00 C ATOM 291 O GLY A 47 7.106 -9.897 -1.695 1.00 0.00 O ATOM 0 H GLY A 47 8.666 -10.291 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.009 -9.267 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.645 -8.142 -2.459 1.00 0.00 H new ATOM 295 N VAL A 48 7.539 -7.896 -0.899 1.00 0.00 N ATOM 296 CA VAL A 48 6.144 -7.741 -0.398 1.00 0.00 C ATOM 297 C VAL A 48 5.795 -6.254 -0.309 1.00 0.00 C ATOM 298 O VAL A 48 6.635 -5.426 -0.016 1.00 0.00 O ATOM 299 CB VAL A 48 6.028 -8.375 0.990 1.00 0.00 C ATOM 300 CG1 VAL A 48 6.208 -9.889 0.878 1.00 0.00 C ATOM 301 CG2 VAL A 48 7.112 -7.799 1.904 1.00 0.00 C ATOM 0 H VAL A 48 8.155 -7.103 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 48 5.455 -8.235 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 48 5.045 -8.157 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.125 -10.339 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.437 -10.300 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.191 -10.109 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.031 -8.249 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.095 -8.017 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.984 -6.720 1.985 1.00 0.00 H new ATOM 311 N CYS A 49 4.561 -5.909 -0.558 1.00 0.00 N ATOM 312 CA CYS A 49 4.160 -4.476 -0.486 1.00 0.00 C ATOM 313 C CYS A 49 3.695 -4.148 0.935 1.00 0.00 C ATOM 314 O CYS A 49 2.896 -4.855 1.515 1.00 0.00 O ATOM 315 CB CYS A 49 3.018 -4.216 -1.471 1.00 0.00 C ATOM 316 SG CYS A 49 3.616 -3.183 -2.831 1.00 0.00 S ATOM 0 H CYS A 49 3.814 -6.557 -0.808 1.00 0.00 H new ATOM 0 HA CYS A 49 5.011 -3.846 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.636 -5.160 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.190 -3.722 -0.962 1.00 0.00 H new ATOM 0 HG CYS A 49 4.587 -2.429 -2.409 1.00 0.00 H new ATOM 322 N LEU A 50 4.190 -3.081 1.500 1.00 0.00 N ATOM 323 CA LEU A 50 3.777 -2.710 2.884 1.00 0.00 C ATOM 324 C LEU A 50 3.085 -1.345 2.861 1.00 0.00 C ATOM 325 O LEU A 50 3.685 -0.339 2.536 1.00 0.00 O ATOM 326 CB LEU A 50 5.013 -2.639 3.783 1.00 0.00 C ATOM 327 CG LEU A 50 4.853 -3.615 4.950 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.049 -4.568 4.988 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.786 -2.832 6.263 1.00 0.00 C ATOM 0 H LEU A 50 4.862 -2.450 1.064 1.00 0.00 H new ATOM 0 HA LEU A 50 3.088 -3.461 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.907 -2.885 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.144 -1.624 4.159 1.00 0.00 H new ATOM 0 HG LEU A 50 3.935 -4.189 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.934 -5.263 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.099 -5.126 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.967 -3.995 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.672 -3.526 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.704 -2.259 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.934 -2.152 6.238 1.00 0.00 H new ATOM 341 N ILE A 51 1.826 -1.301 3.203 1.00 0.00 N ATOM 342 CA ILE A 51 1.097 -0.002 3.201 1.00 0.00 C ATOM 343 C ILE A 51 0.570 0.289 4.608 1.00 0.00 C ATOM 344 O ILE A 51 -0.329 -0.369 5.092 1.00 0.00 O ATOM 345 CB ILE A 51 -0.077 -0.077 2.223 1.00 0.00 C ATOM 346 CG1 ILE A 51 0.457 -0.272 0.802 1.00 0.00 C ATOM 347 CG2 ILE A 51 -0.883 1.221 2.290 1.00 0.00 C ATOM 348 CD1 ILE A 51 -0.452 -1.241 0.043 1.00 0.00 C ATOM 0 H ILE A 51 1.271 -2.109 3.484 1.00 0.00 H new ATOM 0 HA ILE A 51 1.775 0.794 2.894 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.719 -0.916 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.499 0.686 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.475 -0.661 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.719 1.166 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.263 1.362 3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.242 2.061 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.072 -1.380 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.471 -2.201 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.462 -0.833 -0.002 1.00 0.00 H new ATOM 360 N THR A 52 1.123 1.269 5.269 1.00 0.00 N ATOM 361 CA THR A 52 0.650 1.598 6.644 1.00 0.00 C ATOM 362 C THR A 52 0.677 3.114 6.848 1.00 0.00 C ATOM 363 O THR A 52 1.316 3.838 6.110 1.00 0.00 O ATOM 364 CB THR A 52 1.568 0.930 7.672 1.00 0.00 C ATOM 365 OG1 THR A 52 1.107 1.232 8.981 1.00 0.00 O ATOM 366 CG2 THR A 52 2.996 1.451 7.498 1.00 0.00 C ATOM 0 H THR A 52 1.880 1.855 4.918 1.00 0.00 H new ATOM 0 HA THR A 52 -0.369 1.234 6.772 1.00 0.00 H new ATOM 0 HB THR A 52 1.558 -0.150 7.523 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.338 0.664 9.196 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.649 0.975 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.348 1.219 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.010 2.531 7.647 1.00 0.00 H new ATOM 374 N GLY A 53 -0.012 3.599 7.844 1.00 0.00 N ATOM 375 CA GLY A 53 -0.025 5.068 8.097 1.00 0.00 C ATOM 376 C GLY A 53 -1.305 5.677 7.521 1.00 0.00 C ATOM 377 O GLY A 53 -1.372 6.858 7.245 1.00 0.00 O ATOM 0 H GLY A 53 -0.567 3.042 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.033 5.263 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.849 5.534 7.641 1.00 0.00 H new ATOM 381 N VAL A 54 -2.323 4.881 7.339 1.00 0.00 N ATOM 382 CA VAL A 54 -3.597 5.418 6.782 1.00 0.00 C ATOM 383 C VAL A 54 -4.368 6.147 7.885 1.00 0.00 C ATOM 384 O VAL A 54 -4.836 5.545 8.830 1.00 0.00 O ATOM 385 CB VAL A 54 -4.445 4.265 6.243 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.735 4.819 5.637 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.657 3.517 5.164 1.00 0.00 C ATOM 0 H VAL A 54 -2.328 3.883 7.552 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.375 6.114 5.973 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.690 3.583 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.339 3.997 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.296 5.355 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.491 5.501 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.259 2.695 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.414 4.201 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.736 3.122 5.594 1.00 0.00 H new ATOM 397 N ASP A 55 -4.501 7.440 7.772 1.00 0.00 N ATOM 398 CA ASP A 55 -5.240 8.208 8.814 1.00 0.00 C ATOM 399 C ASP A 55 -6.682 8.435 8.356 1.00 0.00 C ATOM 400 O ASP A 55 -7.075 9.539 8.036 1.00 0.00 O ATOM 401 CB ASP A 55 -4.555 9.559 9.030 1.00 0.00 C ATOM 402 CG ASP A 55 -4.976 10.135 10.383 1.00 0.00 C ATOM 403 OD1 ASP A 55 -5.502 9.383 11.187 1.00 0.00 O ATOM 404 OD2 ASP A 55 -4.765 11.318 10.593 1.00 0.00 O ATOM 0 H ASP A 55 -4.130 7.998 7.003 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.241 7.646 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.472 9.439 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.826 10.248 8.230 1.00 0.00 H new ATOM 409 N LEU A 56 -7.476 7.400 8.324 1.00 0.00 N ATOM 410 CA LEU A 56 -8.891 7.561 7.887 1.00 0.00 C ATOM 411 C LEU A 56 -9.807 6.764 8.817 1.00 0.00 C ATOM 412 O LEU A 56 -9.354 6.020 9.665 1.00 0.00 O ATOM 413 CB LEU A 56 -9.046 7.043 6.455 1.00 0.00 C ATOM 414 CG LEU A 56 -8.328 7.988 5.491 1.00 0.00 C ATOM 415 CD1 LEU A 56 -7.824 7.197 4.282 1.00 0.00 C ATOM 416 CD2 LEU A 56 -9.302 9.071 5.021 1.00 0.00 C ATOM 0 H LEU A 56 -7.206 6.451 8.581 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.163 8.616 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.631 6.038 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.102 6.974 6.194 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.483 8.453 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.312 7.870 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.132 6.424 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.669 6.732 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.792 9.746 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.146 8.605 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.663 9.634 5.882 1.00 0.00 H new ATOM 428 N ASP A 57 -11.095 6.912 8.665 1.00 0.00 N ATOM 429 CA ASP A 57 -12.040 6.162 9.539 1.00 0.00 C ATOM 430 C ASP A 57 -11.623 4.691 9.596 1.00 0.00 C ATOM 431 O ASP A 57 -10.759 4.252 8.864 1.00 0.00 O ATOM 432 CB ASP A 57 -13.456 6.269 8.969 1.00 0.00 C ATOM 433 CG ASP A 57 -14.264 7.273 9.793 1.00 0.00 C ATOM 434 OD1 ASP A 57 -14.525 6.987 10.950 1.00 0.00 O ATOM 435 OD2 ASP A 57 -14.608 8.312 9.253 1.00 0.00 O ATOM 0 H ASP A 57 -11.533 7.520 7.973 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.020 6.585 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.417 6.586 7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.941 5.293 8.987 1.00 0.00 H new ATOM 440 N ASP A 58 -12.229 3.926 10.462 1.00 0.00 N ATOM 441 CA ASP A 58 -11.865 2.484 10.564 1.00 0.00 C ATOM 442 C ASP A 58 -12.488 1.717 9.396 1.00 0.00 C ATOM 443 O ASP A 58 -11.878 0.835 8.824 1.00 0.00 O ATOM 444 CB ASP A 58 -12.391 1.918 11.885 1.00 0.00 C ATOM 445 CG ASP A 58 -11.274 1.938 12.929 1.00 0.00 C ATOM 446 OD1 ASP A 58 -10.397 2.779 12.814 1.00 0.00 O ATOM 447 OD2 ASP A 58 -11.313 1.113 13.827 1.00 0.00 O ATOM 0 H ASP A 58 -12.960 4.236 11.103 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.781 2.379 10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.239 2.507 12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.749 0.899 11.739 1.00 0.00 H new ATOM 452 N ALA A 59 -13.699 2.045 9.037 1.00 0.00 N ATOM 453 CA ALA A 59 -14.360 1.334 7.906 1.00 0.00 C ATOM 454 C ALA A 59 -13.590 1.606 6.612 1.00 0.00 C ATOM 455 O ALA A 59 -13.546 0.782 5.720 1.00 0.00 O ATOM 456 CB ALA A 59 -15.798 1.835 7.760 1.00 0.00 C ATOM 0 H ALA A 59 -14.259 2.774 9.478 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.367 0.262 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.282 1.316 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.346 1.640 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -15.791 2.907 7.561 1.00 0.00 H new ATOM 462 N GLU A 60 -12.984 2.756 6.502 1.00 0.00 N ATOM 463 CA GLU A 60 -12.218 3.081 5.265 1.00 0.00 C ATOM 464 C GLU A 60 -11.068 2.086 5.099 1.00 0.00 C ATOM 465 O GLU A 60 -10.838 1.559 4.028 1.00 0.00 O ATOM 466 CB GLU A 60 -11.650 4.498 5.375 1.00 0.00 C ATOM 467 CG GLU A 60 -12.601 5.485 4.695 1.00 0.00 C ATOM 468 CD GLU A 60 -11.793 6.622 4.068 1.00 0.00 C ATOM 469 OE1 GLU A 60 -11.018 6.344 3.167 1.00 0.00 O ATOM 470 OE2 GLU A 60 -11.961 7.750 4.499 1.00 0.00 O ATOM 0 H GLU A 60 -12.986 3.485 7.215 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.881 3.019 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.518 4.768 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.666 4.544 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.185 4.975 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.308 5.885 5.422 1.00 0.00 H new ATOM 477 N LEU A 61 -10.343 1.824 6.152 1.00 0.00 N ATOM 478 CA LEU A 61 -9.208 0.864 6.057 1.00 0.00 C ATOM 479 C LEU A 61 -9.703 -0.453 5.457 1.00 0.00 C ATOM 480 O LEU A 61 -9.056 -1.047 4.618 1.00 0.00 O ATOM 481 CB LEU A 61 -8.639 0.608 7.454 1.00 0.00 C ATOM 482 CG LEU A 61 -7.662 1.727 7.820 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.610 1.883 9.341 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.268 1.377 7.296 1.00 0.00 C ATOM 0 H LEU A 61 -10.488 2.234 7.075 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.429 1.283 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.447 0.563 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.131 -0.356 7.480 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.996 2.662 7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.914 2.680 9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.603 2.132 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.276 0.948 9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.571 2.174 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.934 0.442 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.304 1.266 6.212 1.00 0.00 H new ATOM 496 N THR A 62 -10.848 -0.914 5.881 1.00 0.00 N ATOM 497 CA THR A 62 -11.385 -2.192 5.335 1.00 0.00 C ATOM 498 C THR A 62 -11.854 -1.973 3.895 1.00 0.00 C ATOM 499 O THR A 62 -11.884 -2.887 3.095 1.00 0.00 O ATOM 500 CB THR A 62 -12.563 -2.657 6.194 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.100 -2.957 7.503 1.00 0.00 O ATOM 502 CG2 THR A 62 -13.189 -3.905 5.572 1.00 0.00 C ATOM 0 H THR A 62 -11.434 -0.461 6.582 1.00 0.00 H new ATOM 0 HA THR A 62 -10.604 -2.952 5.349 1.00 0.00 H new ATOM 0 HB THR A 62 -13.312 -1.867 6.245 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.853 -3.254 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.028 -4.235 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.543 -3.673 4.568 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.443 -4.698 5.520 1.00 0.00 H new ATOM 510 N LYS A 63 -12.221 -0.767 3.559 1.00 0.00 N ATOM 511 CA LYS A 63 -12.687 -0.489 2.170 1.00 0.00 C ATOM 512 C LYS A 63 -11.540 -0.742 1.189 1.00 0.00 C ATOM 513 O LYS A 63 -11.637 -1.570 0.303 1.00 0.00 O ATOM 514 CB LYS A 63 -13.133 0.972 2.067 1.00 0.00 C ATOM 515 CG LYS A 63 -13.488 1.296 0.614 1.00 0.00 C ATOM 516 CD LYS A 63 -14.699 2.231 0.581 1.00 0.00 C ATOM 517 CE LYS A 63 -15.733 1.694 -0.411 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.723 2.762 -0.724 1.00 0.00 N ATOM 0 H LYS A 63 -12.219 0.038 4.185 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.524 -1.144 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.995 1.146 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.338 1.632 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.639 1.765 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.709 0.378 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.139 2.308 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.389 3.235 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.239 1.363 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.240 0.826 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.426 2.397 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.203 3.058 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.233 3.578 -1.143 1.00 0.00 H new ATOM 532 N LEU A 64 -10.453 -0.035 1.340 1.00 0.00 N ATOM 533 CA LEU A 64 -9.300 -0.235 0.418 1.00 0.00 C ATOM 534 C LEU A 64 -8.740 -1.647 0.598 1.00 0.00 C ATOM 535 O LEU A 64 -8.234 -2.249 -0.329 1.00 0.00 O ATOM 536 CB LEU A 64 -8.210 0.790 0.738 1.00 0.00 C ATOM 537 CG LEU A 64 -8.181 1.863 -0.350 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.395 3.076 0.150 1.00 0.00 C ATOM 539 CD2 LEU A 64 -7.504 1.299 -1.602 1.00 0.00 C ATOM 0 H LEU A 64 -10.314 0.672 2.062 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.632 -0.105 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.400 1.247 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.240 0.297 0.802 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.200 2.165 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.374 3.841 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.874 3.477 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.375 2.775 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.482 2.063 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.485 0.998 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.062 0.434 -1.959 1.00 0.00 H new ATOM 551 N ALA A 65 -8.825 -2.180 1.786 1.00 0.00 N ATOM 552 CA ALA A 65 -8.296 -3.552 2.027 1.00 0.00 C ATOM 553 C ALA A 65 -8.980 -4.541 1.081 1.00 0.00 C ATOM 554 O ALA A 65 -8.334 -5.328 0.418 1.00 0.00 O ATOM 555 CB ALA A 65 -8.575 -3.956 3.476 1.00 0.00 C ATOM 0 H ALA A 65 -9.238 -1.725 2.600 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.221 -3.563 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.189 -4.960 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.085 -3.253 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.650 -3.943 3.657 1.00 0.00 H new ATOM 561 N ALA A 66 -10.283 -4.509 1.014 1.00 0.00 N ATOM 562 CA ALA A 66 -11.006 -5.451 0.113 1.00 0.00 C ATOM 563 C ALA A 66 -10.788 -5.038 -1.344 1.00 0.00 C ATOM 564 O ALA A 66 -10.824 -5.855 -2.242 1.00 0.00 O ATOM 565 CB ALA A 66 -12.502 -5.414 0.435 1.00 0.00 C ATOM 0 H ALA A 66 -10.878 -3.872 1.544 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.624 -6.461 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.033 -6.102 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.658 -5.710 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.882 -4.403 0.285 1.00 0.00 H new ATOM 571 N GLU A 67 -10.566 -3.775 -1.587 1.00 0.00 N ATOM 572 CA GLU A 67 -10.352 -3.313 -2.988 1.00 0.00 C ATOM 573 C GLU A 67 -9.070 -3.934 -3.552 1.00 0.00 C ATOM 574 O GLU A 67 -8.973 -4.211 -4.731 1.00 0.00 O ATOM 575 CB GLU A 67 -10.231 -1.788 -3.009 1.00 0.00 C ATOM 576 CG GLU A 67 -11.600 -1.172 -3.302 1.00 0.00 C ATOM 577 CD GLU A 67 -11.424 0.280 -3.751 1.00 0.00 C ATOM 578 OE1 GLU A 67 -10.301 0.657 -4.042 1.00 0.00 O ATOM 579 OE2 GLU A 67 -12.416 0.989 -3.797 1.00 0.00 O ATOM 0 H GLU A 67 -10.524 -3.044 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.199 -3.622 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.856 -1.429 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.512 -1.480 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.109 -1.744 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.227 -1.214 -2.412 1.00 0.00 H new ATOM 586 N LEU A 68 -8.083 -4.150 -2.725 1.00 0.00 N ATOM 587 CA LEU A 68 -6.811 -4.746 -3.227 1.00 0.00 C ATOM 588 C LEU A 68 -6.897 -6.274 -3.181 1.00 0.00 C ATOM 589 O LEU A 68 -6.350 -6.960 -4.022 1.00 0.00 O ATOM 590 CB LEU A 68 -5.646 -4.275 -2.354 1.00 0.00 C ATOM 591 CG LEU A 68 -5.469 -2.764 -2.509 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.012 -2.165 -1.179 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.414 -2.482 -3.582 1.00 0.00 C ATOM 0 H LEU A 68 -8.102 -3.941 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.649 -4.427 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.836 -4.524 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.730 -4.790 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.418 -2.316 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.886 -1.088 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.761 -2.366 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.063 -2.613 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.287 -1.405 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.466 -2.931 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.737 -2.909 -4.531 1.00 0.00 H new ATOM 605 N LYS A 69 -7.572 -6.815 -2.203 1.00 0.00 N ATOM 606 CA LYS A 69 -7.681 -8.300 -2.107 1.00 0.00 C ATOM 607 C LYS A 69 -8.426 -8.845 -3.329 1.00 0.00 C ATOM 608 O LYS A 69 -8.375 -10.023 -3.622 1.00 0.00 O ATOM 609 CB LYS A 69 -8.448 -8.675 -0.837 1.00 0.00 C ATOM 610 CG LYS A 69 -7.552 -9.524 0.069 1.00 0.00 C ATOM 611 CD LYS A 69 -8.389 -10.612 0.744 1.00 0.00 C ATOM 612 CE LYS A 69 -7.712 -11.044 2.046 1.00 0.00 C ATOM 613 NZ LYS A 69 -8.407 -12.242 2.597 1.00 0.00 N ATOM 0 H LYS A 69 -8.052 -6.295 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.681 -8.731 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.765 -7.774 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.351 -9.228 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.751 -9.977 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.079 -8.895 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.392 -10.238 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.498 -11.467 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.662 -11.272 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.740 -10.230 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.946 -12.534 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.403 -12.009 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.358 -13.019 1.908 1.00 0.00 H new ATOM 627 N LYS A 70 -9.120 -8.001 -4.042 1.00 0.00 N ATOM 628 CA LYS A 70 -9.867 -8.481 -5.240 1.00 0.00 C ATOM 629 C LYS A 70 -8.889 -8.741 -6.388 1.00 0.00 C ATOM 630 O LYS A 70 -9.131 -9.569 -7.244 1.00 0.00 O ATOM 631 CB LYS A 70 -10.884 -7.422 -5.669 1.00 0.00 C ATOM 632 CG LYS A 70 -11.884 -8.049 -6.643 1.00 0.00 C ATOM 633 CD LYS A 70 -13.301 -7.597 -6.286 1.00 0.00 C ATOM 634 CE LYS A 70 -14.226 -7.822 -7.483 1.00 0.00 C ATOM 635 NZ LYS A 70 -15.645 -7.785 -7.029 1.00 0.00 N ATOM 0 H LYS A 70 -9.202 -7.003 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.387 -9.406 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.406 -7.028 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.375 -6.582 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.644 -7.755 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.816 -9.136 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.665 -8.154 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.299 -6.543 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.055 -7.055 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.007 -8.783 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.274 -7.938 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.803 -8.533 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.849 -6.858 -6.603 1.00 0.00 H new ATOM 649 N LYS A 71 -7.787 -8.043 -6.416 1.00 0.00 N ATOM 650 CA LYS A 71 -6.799 -8.257 -7.511 1.00 0.00 C ATOM 651 C LYS A 71 -6.094 -9.598 -7.299 1.00 0.00 C ATOM 652 O LYS A 71 -6.273 -10.531 -8.057 1.00 0.00 O ATOM 653 CB LYS A 71 -5.770 -7.124 -7.499 1.00 0.00 C ATOM 654 CG LYS A 71 -6.482 -5.788 -7.722 1.00 0.00 C ATOM 655 CD LYS A 71 -5.474 -4.645 -7.601 1.00 0.00 C ATOM 656 CE LYS A 71 -5.214 -4.046 -8.984 1.00 0.00 C ATOM 657 NZ LYS A 71 -6.242 -3.007 -9.278 1.00 0.00 N ATOM 0 H LYS A 71 -7.528 -7.335 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.312 -8.265 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.238 -7.111 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.025 -7.286 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.948 -5.773 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.280 -5.662 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.856 -3.878 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.542 -5.012 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.217 -3.607 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.245 -4.828 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.065 -2.600 -10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.188 -3.439 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.191 -2.256 -8.561 1.00 0.00 H new ATOM 671 N CYS A 72 -5.299 -9.706 -6.271 1.00 0.00 N ATOM 672 CA CYS A 72 -4.591 -10.991 -6.010 1.00 0.00 C ATOM 673 C CYS A 72 -5.620 -12.076 -5.690 1.00 0.00 C ATOM 674 O CYS A 72 -5.678 -13.103 -6.336 1.00 0.00 O ATOM 675 CB CYS A 72 -3.647 -10.823 -4.819 1.00 0.00 C ATOM 676 SG CYS A 72 -1.963 -11.265 -5.316 1.00 0.00 S ATOM 0 H CYS A 72 -5.109 -8.961 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.016 -11.276 -6.891 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.674 -9.793 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.971 -11.455 -3.992 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.160 -11.120 -4.304 1.00 0.00 H new ATOM 682 N GLY A 73 -6.435 -11.854 -4.694 1.00 0.00 N ATOM 683 CA GLY A 73 -7.462 -12.871 -4.328 1.00 0.00 C ATOM 684 C GLY A 73 -6.837 -13.922 -3.408 1.00 0.00 C ATOM 685 O GLY A 73 -7.407 -14.969 -3.170 1.00 0.00 O ATOM 0 H GLY A 73 -6.434 -11.012 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.303 -12.390 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.854 -13.347 -5.227 1.00 0.00 H new ATOM 689 N CYS A 74 -5.667 -13.650 -2.894 1.00 0.00 N ATOM 690 CA CYS A 74 -4.998 -14.632 -1.994 1.00 0.00 C ATOM 691 C CYS A 74 -3.531 -14.225 -1.814 1.00 0.00 C ATOM 692 O CYS A 74 -2.808 -14.032 -2.772 1.00 0.00 O ATOM 693 CB CYS A 74 -5.078 -16.032 -2.621 1.00 0.00 C ATOM 694 SG CYS A 74 -3.900 -17.147 -1.811 1.00 0.00 S ATOM 0 H CYS A 74 -5.146 -12.789 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.493 -14.646 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.090 -16.426 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.861 -15.974 -3.688 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.979 -18.328 -2.349 1.00 0.00 H new ATOM 700 N GLY A 75 -3.089 -14.096 -0.593 1.00 0.00 N ATOM 701 CA GLY A 75 -1.671 -13.706 -0.345 1.00 0.00 C ATOM 702 C GLY A 75 -1.622 -12.323 0.307 1.00 0.00 C ATOM 703 O GLY A 75 -0.575 -11.851 0.701 1.00 0.00 O ATOM 0 H GLY A 75 -3.650 -14.244 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.190 -14.440 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.117 -13.696 -1.284 1.00 0.00 H new ATOM 707 N GLY A 76 -2.746 -11.672 0.429 1.00 0.00 N ATOM 708 CA GLY A 76 -2.759 -10.322 1.062 1.00 0.00 C ATOM 709 C GLY A 76 -3.453 -10.411 2.422 1.00 0.00 C ATOM 710 O GLY A 76 -4.568 -10.880 2.530 1.00 0.00 O ATOM 0 H GLY A 76 -3.655 -12.015 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.740 -9.954 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.280 -9.611 0.420 1.00 0.00 H new ATOM 714 N ALA A 77 -2.802 -9.971 3.463 1.00 0.00 N ATOM 715 CA ALA A 77 -3.431 -10.042 4.812 1.00 0.00 C ATOM 716 C ALA A 77 -3.781 -8.635 5.299 1.00 0.00 C ATOM 717 O ALA A 77 -2.928 -7.779 5.425 1.00 0.00 O ATOM 718 CB ALA A 77 -2.454 -10.691 5.795 1.00 0.00 C ATOM 0 H ALA A 77 -1.866 -9.567 3.439 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.342 -10.637 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.913 -10.744 6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.210 -11.697 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.543 -10.095 5.849 1.00 0.00 H new ATOM 724 N VAL A 78 -5.032 -8.392 5.582 1.00 0.00 N ATOM 725 CA VAL A 78 -5.435 -7.044 6.071 1.00 0.00 C ATOM 726 C VAL A 78 -5.272 -6.993 7.590 1.00 0.00 C ATOM 727 O VAL A 78 -5.823 -7.801 8.309 1.00 0.00 O ATOM 728 CB VAL A 78 -6.899 -6.782 5.715 1.00 0.00 C ATOM 729 CG1 VAL A 78 -7.267 -5.346 6.094 1.00 0.00 C ATOM 730 CG2 VAL A 78 -7.104 -6.979 4.213 1.00 0.00 C ATOM 0 H VAL A 78 -5.791 -9.068 5.496 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.807 -6.286 5.603 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.534 -7.478 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.310 -5.159 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.123 -5.204 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.630 -4.651 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.148 -6.792 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.468 -6.284 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.843 -8.002 3.941 1.00 0.00 H new ATOM 740 N LYS A 79 -4.522 -6.050 8.085 1.00 0.00 N ATOM 741 CA LYS A 79 -4.333 -5.954 9.558 1.00 0.00 C ATOM 742 C LYS A 79 -4.830 -4.591 10.041 1.00 0.00 C ATOM 743 O LYS A 79 -4.716 -3.599 9.350 1.00 0.00 O ATOM 744 CB LYS A 79 -2.849 -6.111 9.894 1.00 0.00 C ATOM 745 CG LYS A 79 -2.656 -7.340 10.785 1.00 0.00 C ATOM 746 CD LYS A 79 -2.940 -8.608 9.977 1.00 0.00 C ATOM 747 CE LYS A 79 -1.932 -9.694 10.355 1.00 0.00 C ATOM 748 NZ LYS A 79 -0.741 -9.595 9.465 1.00 0.00 N ATOM 0 H LYS A 79 -4.033 -5.343 7.535 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.898 -6.744 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.267 -6.217 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.484 -5.219 10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.638 -7.364 11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.324 -7.287 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.955 -8.956 10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.876 -8.394 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.632 -9.580 11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.389 -10.679 10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.054 -10.333 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.035 -9.724 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.301 -8.659 9.576 1.00 0.00 H new ATOM 762 N ASP A 80 -5.384 -4.535 11.220 1.00 0.00 N ATOM 763 CA ASP A 80 -5.890 -3.235 11.742 1.00 0.00 C ATOM 764 C ASP A 80 -4.709 -2.300 12.016 1.00 0.00 C ATOM 765 O ASP A 80 -4.033 -2.416 13.018 1.00 0.00 O ATOM 766 CB ASP A 80 -6.663 -3.476 13.039 1.00 0.00 C ATOM 767 CG ASP A 80 -7.864 -4.380 12.756 1.00 0.00 C ATOM 768 OD1 ASP A 80 -7.675 -5.399 12.112 1.00 0.00 O ATOM 769 OD2 ASP A 80 -8.953 -4.038 13.188 1.00 0.00 O ATOM 0 H ASP A 80 -5.508 -5.332 11.844 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.550 -2.778 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.013 -3.939 13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.999 -2.527 13.456 1.00 0.00 H new ATOM 774 N GLY A 81 -4.456 -1.374 11.132 1.00 0.00 N ATOM 775 CA GLY A 81 -3.318 -0.434 11.341 1.00 0.00 C ATOM 776 C GLY A 81 -2.150 -0.842 10.441 1.00 0.00 C ATOM 777 O GLY A 81 -1.191 -0.112 10.282 1.00 0.00 O ATOM 0 H GLY A 81 -4.988 -1.228 10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.628 0.586 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.008 -0.447 12.386 1.00 0.00 H new ATOM 781 N VAL A 82 -2.223 -2.004 9.852 1.00 0.00 N ATOM 782 CA VAL A 82 -1.119 -2.462 8.962 1.00 0.00 C ATOM 783 C VAL A 82 -1.707 -3.227 7.774 1.00 0.00 C ATOM 784 O VAL A 82 -2.388 -4.220 7.940 1.00 0.00 O ATOM 785 CB VAL A 82 -0.183 -3.384 9.746 1.00 0.00 C ATOM 786 CG1 VAL A 82 0.948 -3.860 8.834 1.00 0.00 C ATOM 787 CG2 VAL A 82 0.407 -2.622 10.934 1.00 0.00 C ATOM 0 H VAL A 82 -3.001 -2.657 9.949 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.561 -1.598 8.600 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.744 -4.246 10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.614 -4.517 9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.528 -4.404 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.509 -2.999 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.074 -3.279 11.493 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.967 -1.760 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.399 -2.284 11.586 1.00 0.00 H new ATOM 797 N ILE A 83 -1.449 -2.776 6.577 1.00 0.00 N ATOM 798 CA ILE A 83 -1.995 -3.482 5.383 1.00 0.00 C ATOM 799 C ILE A 83 -0.880 -4.283 4.706 1.00 0.00 C ATOM 800 O ILE A 83 0.124 -3.739 4.291 1.00 0.00 O ATOM 801 CB ILE A 83 -2.559 -2.459 4.395 1.00 0.00 C ATOM 802 CG1 ILE A 83 -3.711 -1.697 5.054 1.00 0.00 C ATOM 803 CG2 ILE A 83 -3.074 -3.184 3.151 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.913 -2.630 5.218 1.00 0.00 C ATOM 0 H ILE A 83 -0.885 -1.951 6.374 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.789 -4.159 5.697 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.775 -1.758 4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.399 -1.314 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.986 -0.836 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.476 -2.456 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.255 -3.729 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.859 -3.884 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.733 -2.087 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.230 -2.991 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.633 -3.477 5.844 1.00 0.00 H new ATOM 816 N GLU A 84 -1.051 -5.571 4.589 1.00 0.00 N ATOM 817 CA GLU A 84 -0.005 -6.408 3.936 1.00 0.00 C ATOM 818 C GLU A 84 -0.480 -6.818 2.541 1.00 0.00 C ATOM 819 O GLU A 84 -1.500 -7.461 2.386 1.00 0.00 O ATOM 820 CB GLU A 84 0.243 -7.662 4.779 1.00 0.00 C ATOM 821 CG GLU A 84 1.351 -7.386 5.798 1.00 0.00 C ATOM 822 CD GLU A 84 2.014 -8.704 6.200 1.00 0.00 C ATOM 823 OE1 GLU A 84 1.470 -9.744 5.867 1.00 0.00 O ATOM 824 OE2 GLU A 84 3.055 -8.652 6.835 1.00 0.00 O ATOM 0 H GLU A 84 -1.871 -6.081 4.918 1.00 0.00 H new ATOM 0 HA GLU A 84 0.920 -5.837 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.673 -7.954 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.526 -8.495 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.092 -6.709 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.937 -6.892 6.677 1.00 0.00 H new ATOM 831 N ILE A 85 0.249 -6.451 1.522 1.00 0.00 N ATOM 832 CA ILE A 85 -0.166 -6.820 0.139 1.00 0.00 C ATOM 833 C ILE A 85 0.900 -7.720 -0.492 1.00 0.00 C ATOM 834 O ILE A 85 2.011 -7.813 -0.011 1.00 0.00 O ATOM 835 CB ILE A 85 -0.327 -5.552 -0.700 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.223 -4.559 0.045 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.968 -5.906 -2.043 1.00 0.00 C ATOM 838 CD1 ILE A 85 -2.669 -5.060 0.027 1.00 0.00 C ATOM 0 H ILE A 85 1.113 -5.912 1.588 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.115 -7.354 0.175 1.00 0.00 H new ATOM 0 HB ILE A 85 0.652 -5.103 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.880 -4.444 1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.162 -3.576 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.083 -5.002 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.332 -6.614 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.947 -6.355 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.306 -4.352 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.009 -5.152 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.723 -6.033 0.515 1.00 0.00 H new ATOM 850 N GLN A 86 0.567 -8.386 -1.565 1.00 0.00 N ATOM 851 CA GLN A 86 1.559 -9.282 -2.226 1.00 0.00 C ATOM 852 C GLN A 86 1.709 -8.885 -3.696 1.00 0.00 C ATOM 853 O GLN A 86 0.737 -8.688 -4.398 1.00 0.00 O ATOM 854 CB GLN A 86 1.073 -10.731 -2.139 1.00 0.00 C ATOM 855 CG GLN A 86 1.819 -11.458 -1.018 1.00 0.00 C ATOM 856 CD GLN A 86 1.638 -12.968 -1.182 1.00 0.00 C ATOM 857 OE1 GLN A 86 1.360 -13.444 -2.265 1.00 0.00 O ATOM 858 NE2 GLN A 86 1.784 -13.747 -0.146 1.00 0.00 N ATOM 0 H GLN A 86 -0.349 -8.348 -2.012 1.00 0.00 H new ATOM 0 HA GLN A 86 2.522 -9.188 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.000 -10.754 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.240 -11.239 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.878 -11.203 -1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.440 -11.139 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.017 -13.348 0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.665 -14.755 -0.245 1.00 0.00 H new ATOM 867 N GLY A 87 2.920 -8.767 -4.170 1.00 0.00 N ATOM 868 CA GLY A 87 3.128 -8.385 -5.597 1.00 0.00 C ATOM 869 C GLY A 87 4.248 -7.348 -5.694 1.00 0.00 C ATOM 870 O GLY A 87 4.683 -6.795 -4.704 1.00 0.00 O ATOM 0 H GLY A 87 3.773 -8.918 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.383 -9.266 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.206 -7.979 -6.013 1.00 0.00 H new ATOM 874 N ASP A 88 4.717 -7.079 -6.882 1.00 0.00 N ATOM 875 CA ASP A 88 5.808 -6.076 -7.043 1.00 0.00 C ATOM 876 C ASP A 88 5.488 -5.156 -8.223 1.00 0.00 C ATOM 877 O ASP A 88 5.974 -5.346 -9.320 1.00 0.00 O ATOM 878 CB ASP A 88 7.131 -6.799 -7.307 1.00 0.00 C ATOM 879 CG ASP A 88 8.297 -5.859 -6.998 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.048 -4.678 -6.815 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.419 -6.335 -6.950 1.00 0.00 O ATOM 0 H ASP A 88 4.392 -7.510 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 88 5.892 -5.483 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.198 -7.694 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.178 -7.125 -8.346 1.00 0.00 H new ATOM 886 N LYS A 89 4.674 -4.158 -8.007 1.00 0.00 N ATOM 887 CA LYS A 89 4.327 -3.226 -9.117 1.00 0.00 C ATOM 888 C LYS A 89 4.211 -1.802 -8.570 1.00 0.00 C ATOM 889 O LYS A 89 3.229 -1.121 -8.789 1.00 0.00 O ATOM 890 CB LYS A 89 2.992 -3.643 -9.737 1.00 0.00 C ATOM 891 CG LYS A 89 3.173 -4.949 -10.512 1.00 0.00 C ATOM 892 CD LYS A 89 1.816 -5.422 -11.037 1.00 0.00 C ATOM 893 CE LYS A 89 1.973 -6.790 -11.702 1.00 0.00 C ATOM 894 NZ LYS A 89 1.108 -6.856 -12.914 1.00 0.00 N ATOM 0 H LYS A 89 4.235 -3.948 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 89 5.107 -3.262 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.242 -3.772 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.628 -2.860 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.864 -4.799 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.611 -5.710 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.099 -5.484 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.420 -4.702 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.015 -6.955 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.698 -7.580 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.215 -7.786 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.115 -6.716 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.390 -6.111 -13.583 1.00 0.00 H new ATOM 908 N ARG A 90 5.206 -1.346 -7.860 1.00 0.00 N ATOM 909 CA ARG A 90 5.150 0.034 -7.301 1.00 0.00 C ATOM 910 C ARG A 90 4.689 1.006 -8.389 1.00 0.00 C ATOM 911 O ARG A 90 4.127 2.046 -8.108 1.00 0.00 O ATOM 912 CB ARG A 90 6.540 0.442 -6.808 1.00 0.00 C ATOM 913 CG ARG A 90 7.587 0.066 -7.858 1.00 0.00 C ATOM 914 CD ARG A 90 8.165 1.337 -8.481 1.00 0.00 C ATOM 915 NE ARG A 90 9.651 1.310 -8.376 1.00 0.00 N ATOM 916 CZ ARG A 90 10.351 2.340 -8.765 1.00 0.00 C ATOM 917 NH1 ARG A 90 9.926 3.083 -9.750 1.00 0.00 N ATOM 918 NH2 ARG A 90 11.477 2.627 -8.171 1.00 0.00 N ATOM 0 H ARG A 90 6.055 -1.869 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 90 4.447 0.060 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.569 1.515 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.762 -0.055 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.383 -0.521 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.136 -0.557 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.865 1.411 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.770 2.216 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 90 10.121 0.486 -8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.047 2.858 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.473 3.888 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.811 2.046 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.024 3.432 -8.476 1.00 0.00 H new ATOM 932 N ASP A 91 4.920 0.675 -9.631 1.00 0.00 N ATOM 933 CA ASP A 91 4.493 1.580 -10.734 1.00 0.00 C ATOM 934 C ASP A 91 2.966 1.674 -10.751 1.00 0.00 C ATOM 935 O ASP A 91 2.399 2.742 -10.630 1.00 0.00 O ATOM 936 CB ASP A 91 4.985 1.024 -12.072 1.00 0.00 C ATOM 937 CG ASP A 91 4.579 1.974 -13.200 1.00 0.00 C ATOM 938 OD1 ASP A 91 3.934 2.968 -12.908 1.00 0.00 O ATOM 939 OD2 ASP A 91 4.919 1.691 -14.337 1.00 0.00 O ATOM 0 H ASP A 91 5.386 -0.182 -9.928 1.00 0.00 H new ATOM 0 HA ASP A 91 4.918 2.571 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.069 0.907 -12.053 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.561 0.035 -12.245 1.00 0.00 H new ATOM 944 N LEU A 92 2.295 0.564 -10.898 1.00 0.00 N ATOM 945 CA LEU A 92 0.806 0.591 -10.920 1.00 0.00 C ATOM 946 C LEU A 92 0.292 1.208 -9.618 1.00 0.00 C ATOM 947 O LEU A 92 -0.541 2.092 -9.624 1.00 0.00 O ATOM 948 CB LEU A 92 0.271 -0.837 -11.053 1.00 0.00 C ATOM 949 CG LEU A 92 -1.099 -0.808 -11.732 1.00 0.00 C ATOM 950 CD1 LEU A 92 -1.312 -2.109 -12.508 1.00 0.00 C ATOM 951 CD2 LEU A 92 -2.192 -0.664 -10.671 1.00 0.00 C ATOM 0 H LEU A 92 2.714 -0.360 -11.004 1.00 0.00 H new ATOM 0 HA LEU A 92 0.464 1.186 -11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.964 -1.444 -11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.191 -1.300 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.145 0.037 -12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.288 -2.088 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.534 -2.213 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.265 -2.954 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.168 -0.643 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.145 -1.509 -9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.042 0.263 -10.117 1.00 0.00 H new ATOM 963 N LEU A 93 0.785 0.749 -8.500 1.00 0.00 N ATOM 964 CA LEU A 93 0.327 1.310 -7.198 1.00 0.00 C ATOM 965 C LEU A 93 0.455 2.834 -7.228 1.00 0.00 C ATOM 966 O LEU A 93 -0.336 3.544 -6.640 1.00 0.00 O ATOM 967 CB LEU A 93 1.191 0.745 -6.069 1.00 0.00 C ATOM 968 CG LEU A 93 0.740 -0.679 -5.745 1.00 0.00 C ATOM 969 CD1 LEU A 93 1.961 -1.543 -5.429 1.00 0.00 C ATOM 970 CD2 LEU A 93 -0.194 -0.654 -4.533 1.00 0.00 C ATOM 0 H LEU A 93 1.485 0.010 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.715 1.037 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.240 0.747 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.108 1.375 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 93 0.213 -1.096 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.638 -2.558 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.627 -1.561 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.489 -1.126 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.516 -1.669 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.334 -0.236 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.065 -0.039 -4.758 1.00 0.00 H new ATOM 982 N LYS A 94 1.445 3.342 -7.910 1.00 0.00 N ATOM 983 CA LYS A 94 1.621 4.820 -7.978 1.00 0.00 C ATOM 984 C LYS A 94 0.382 5.450 -8.616 1.00 0.00 C ATOM 985 O LYS A 94 -0.277 6.283 -8.025 1.00 0.00 O ATOM 986 CB LYS A 94 2.854 5.148 -8.823 1.00 0.00 C ATOM 987 CG LYS A 94 3.174 6.639 -8.703 1.00 0.00 C ATOM 988 CD LYS A 94 2.518 7.397 -9.858 1.00 0.00 C ATOM 989 CE LYS A 94 3.597 8.096 -10.689 1.00 0.00 C ATOM 990 NZ LYS A 94 2.961 8.797 -11.840 1.00 0.00 N ATOM 0 H LYS A 94 2.139 2.798 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 94 1.754 5.218 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.705 4.555 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.673 4.887 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.812 7.024 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.253 6.793 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.952 6.708 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.811 8.130 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.142 8.810 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.323 7.367 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.694 9.272 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.460 8.106 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.285 9.503 -11.486 1.00 0.00 H new ATOM 1004 N SER A 95 0.058 5.060 -9.819 1.00 0.00 N ATOM 1005 CA SER A 95 -1.139 5.636 -10.492 1.00 0.00 C ATOM 1006 C SER A 95 -2.401 5.214 -9.736 1.00 0.00 C ATOM 1007 O SER A 95 -3.477 5.728 -9.967 1.00 0.00 O ATOM 1008 CB SER A 95 -1.211 5.124 -11.931 1.00 0.00 C ATOM 1009 OG SER A 95 -1.978 6.030 -12.714 1.00 0.00 O ATOM 0 H SER A 95 0.571 4.367 -10.364 1.00 0.00 H new ATOM 0 HA SER A 95 -1.065 6.723 -10.497 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.207 5.027 -12.345 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.663 4.132 -11.954 1.00 0.00 H new ATOM 0 HG SER A 95 -2.025 5.706 -13.638 1.00 0.00 H new ATOM 1015 N LEU A 96 -2.277 4.280 -8.833 1.00 0.00 N ATOM 1016 CA LEU A 96 -3.469 3.825 -8.063 1.00 0.00 C ATOM 1017 C LEU A 96 -3.836 4.884 -7.020 1.00 0.00 C ATOM 1018 O LEU A 96 -4.928 5.416 -7.020 1.00 0.00 O ATOM 1019 CB LEU A 96 -3.148 2.505 -7.359 1.00 0.00 C ATOM 1020 CG LEU A 96 -4.266 2.168 -6.371 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -4.565 0.669 -6.430 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -3.824 2.543 -4.954 1.00 0.00 C ATOM 0 H LEU A 96 -1.402 3.813 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.308 3.679 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.043 1.706 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.196 2.583 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.163 2.728 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.362 0.429 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.879 0.400 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.668 0.108 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.620 2.303 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.927 1.982 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.610 3.611 -4.910 1.00 0.00 H new ATOM 1034 N LEU A 97 -2.932 5.193 -6.132 1.00 0.00 N ATOM 1035 CA LEU A 97 -3.229 6.217 -5.091 1.00 0.00 C ATOM 1036 C LEU A 97 -3.320 7.597 -5.744 1.00 0.00 C ATOM 1037 O LEU A 97 -3.942 8.502 -5.222 1.00 0.00 O ATOM 1038 CB LEU A 97 -2.112 6.220 -4.045 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.718 6.074 -2.649 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -3.809 7.128 -2.452 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.326 4.678 -2.501 1.00 0.00 C ATOM 0 H LEU A 97 -2.000 4.781 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.178 5.980 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.417 5.403 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.541 7.146 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.939 6.214 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.241 7.023 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.377 8.123 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.588 6.990 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.758 4.573 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.104 4.539 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.549 3.926 -2.640 1.00 0.00 H new ATOM 1053 N GLU A 98 -2.705 7.766 -6.882 1.00 0.00 N ATOM 1054 CA GLU A 98 -2.757 9.088 -7.568 1.00 0.00 C ATOM 1055 C GLU A 98 -4.147 9.296 -8.172 1.00 0.00 C ATOM 1056 O GLU A 98 -4.596 10.411 -8.353 1.00 0.00 O ATOM 1057 CB GLU A 98 -1.706 9.127 -8.680 1.00 0.00 C ATOM 1058 CG GLU A 98 -1.348 10.581 -8.994 1.00 0.00 C ATOM 1059 CD GLU A 98 -1.671 10.881 -10.459 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -2.462 10.150 -11.032 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -1.122 11.837 -10.982 1.00 0.00 O ATOM 0 H GLU A 98 -2.169 7.046 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.553 9.880 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.815 8.580 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.089 8.634 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.906 11.253 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.290 10.756 -8.801 1.00 0.00 H new ATOM 1068 N ALA A 99 -4.832 8.231 -8.487 1.00 0.00 N ATOM 1069 CA ALA A 99 -6.193 8.369 -9.079 1.00 0.00 C ATOM 1070 C ALA A 99 -7.167 8.864 -8.009 1.00 0.00 C ATOM 1071 O ALA A 99 -8.202 9.425 -8.310 1.00 0.00 O ATOM 1072 CB ALA A 99 -6.660 7.010 -9.604 1.00 0.00 C ATOM 0 H ALA A 99 -4.509 7.272 -8.360 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.161 9.085 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.655 7.110 -10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.966 6.657 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.692 6.294 -8.783 1.00 0.00 H new ATOM 1078 N LYS A 100 -6.845 8.662 -6.760 1.00 0.00 N ATOM 1079 CA LYS A 100 -7.754 9.122 -5.673 1.00 0.00 C ATOM 1080 C LYS A 100 -7.319 10.510 -5.196 1.00 0.00 C ATOM 1081 O LYS A 100 -7.823 11.027 -4.219 1.00 0.00 O ATOM 1082 CB LYS A 100 -7.688 8.137 -4.503 1.00 0.00 C ATOM 1083 CG LYS A 100 -8.720 7.027 -4.712 1.00 0.00 C ATOM 1084 CD LYS A 100 -8.276 5.770 -3.961 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.246 5.011 -4.800 1.00 0.00 C ATOM 1086 NZ LYS A 100 -7.545 3.552 -4.755 1.00 0.00 N ATOM 0 H LYS A 100 -5.992 8.199 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.775 9.172 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.688 7.709 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.882 8.657 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.697 7.352 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.826 6.810 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.846 6.042 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.136 5.132 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.268 5.366 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.242 5.199 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.660 3.020 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.183 3.353 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.001 3.263 -5.644 1.00 0.00 H new ATOM 1100 N GLY A 101 -6.387 11.118 -5.878 1.00 0.00 N ATOM 1101 CA GLY A 101 -5.922 12.471 -5.462 1.00 0.00 C ATOM 1102 C GLY A 101 -5.676 12.486 -3.952 1.00 0.00 C ATOM 1103 O GLY A 101 -5.877 13.486 -3.291 1.00 0.00 O ATOM 0 H GLY A 101 -5.928 10.736 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.006 12.731 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.668 13.221 -5.727 1.00 0.00 H new ATOM 1107 N MET A 102 -5.242 11.386 -3.401 1.00 0.00 N ATOM 1108 CA MET A 102 -4.984 11.339 -1.934 1.00 0.00 C ATOM 1109 C MET A 102 -3.559 11.820 -1.651 1.00 0.00 C ATOM 1110 O MET A 102 -2.862 12.279 -2.534 1.00 0.00 O ATOM 1111 CB MET A 102 -5.145 9.902 -1.434 1.00 0.00 C ATOM 1112 CG MET A 102 -6.588 9.679 -0.977 1.00 0.00 C ATOM 1113 SD MET A 102 -6.613 9.342 0.801 1.00 0.00 S ATOM 1114 CE MET A 102 -6.042 7.627 0.716 1.00 0.00 C ATOM 0 H MET A 102 -5.055 10.518 -3.903 1.00 0.00 H new ATOM 0 HA MET A 102 -5.695 11.985 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.891 9.199 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.458 9.714 -0.609 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.191 10.559 -1.200 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.029 8.844 -1.522 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.389 7.084 1.595 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.440 7.155 -0.182 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.953 7.607 0.684 1.00 0.00 H new ATOM 1124 N LYS A 103 -3.121 11.719 -0.426 1.00 0.00 N ATOM 1125 CA LYS A 103 -1.742 12.171 -0.089 1.00 0.00 C ATOM 1126 C LYS A 103 -0.817 10.956 0.009 1.00 0.00 C ATOM 1127 O LYS A 103 -0.400 10.566 1.082 1.00 0.00 O ATOM 1128 CB LYS A 103 -1.760 12.908 1.252 1.00 0.00 C ATOM 1129 CG LYS A 103 -1.733 14.417 1.006 1.00 0.00 C ATOM 1130 CD LYS A 103 -1.099 15.120 2.208 1.00 0.00 C ATOM 1131 CE LYS A 103 -0.783 16.572 1.843 1.00 0.00 C ATOM 1132 NZ LYS A 103 -0.680 17.385 3.087 1.00 0.00 N ATOM 0 H LYS A 103 -3.658 11.343 0.355 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.379 12.842 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.652 12.637 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.901 12.612 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.166 14.638 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.745 14.788 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.777 15.088 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.187 14.602 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.151 16.623 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.563 16.974 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.465 18.372 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.582 17.346 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.079 17.006 3.688 1.00 0.00 H new ATOM 1146 N VAL A 104 -0.494 10.353 -1.102 1.00 0.00 N ATOM 1147 CA VAL A 104 0.404 9.164 -1.071 1.00 0.00 C ATOM 1148 C VAL A 104 1.861 9.621 -1.162 1.00 0.00 C ATOM 1149 O VAL A 104 2.177 10.592 -1.821 1.00 0.00 O ATOM 1150 CB VAL A 104 0.081 8.250 -2.254 1.00 0.00 C ATOM 1151 CG1 VAL A 104 0.496 8.936 -3.557 1.00 0.00 C ATOM 1152 CG2 VAL A 104 0.848 6.935 -2.105 1.00 0.00 C ATOM 0 H VAL A 104 -0.813 10.632 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 104 0.253 8.619 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.990 8.047 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.266 8.285 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.049 9.874 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.567 9.138 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.619 6.283 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.919 7.139 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.554 6.445 -1.177 1.00 0.00 H new ATOM 1162 N LYS A 105 2.751 8.929 -0.506 1.00 0.00 N ATOM 1163 CA LYS A 105 4.187 9.325 -0.556 1.00 0.00 C ATOM 1164 C LYS A 105 4.977 8.278 -1.344 1.00 0.00 C ATOM 1165 O LYS A 105 6.145 8.051 -1.096 1.00 0.00 O ATOM 1166 CB LYS A 105 4.741 9.416 0.868 1.00 0.00 C ATOM 1167 CG LYS A 105 5.575 10.690 1.011 1.00 0.00 C ATOM 1168 CD LYS A 105 6.136 10.777 2.431 1.00 0.00 C ATOM 1169 CE LYS A 105 7.010 12.026 2.559 1.00 0.00 C ATOM 1170 NZ LYS A 105 7.667 12.037 3.897 1.00 0.00 N ATOM 0 H LYS A 105 2.547 8.107 0.062 1.00 0.00 H new ATOM 0 HA LYS A 105 4.280 10.295 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.923 9.422 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.353 8.541 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.389 10.687 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.961 11.565 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.321 10.815 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.721 9.886 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.764 12.038 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.403 12.922 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.261 12.886 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.940 12.045 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.259 11.188 4.000 1.00 0.00 H new ATOM 1184 N LEU A 106 4.350 7.639 -2.293 1.00 0.00 N ATOM 1185 CA LEU A 106 5.066 6.608 -3.096 1.00 0.00 C ATOM 1186 C LEU A 106 5.886 5.714 -2.164 1.00 0.00 C ATOM 1187 O LEU A 106 5.573 5.562 -1.000 1.00 0.00 O ATOM 1188 CB LEU A 106 6.000 7.297 -4.094 1.00 0.00 C ATOM 1189 CG LEU A 106 6.017 6.509 -5.404 1.00 0.00 C ATOM 1190 CD1 LEU A 106 4.719 6.765 -6.173 1.00 0.00 C ATOM 1191 CD2 LEU A 106 7.208 6.960 -6.253 1.00 0.00 C ATOM 0 H LEU A 106 3.373 7.786 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 106 4.340 6.000 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.666 8.318 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.007 7.360 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 106 6.105 5.445 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.732 6.203 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.869 6.446 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.629 7.829 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.222 6.399 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.118 8.024 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.134 6.778 -5.707 1.00 0.00 H new ATOM 1203 N ALA A 107 6.935 5.122 -2.665 1.00 0.00 N ATOM 1204 CA ALA A 107 7.774 4.239 -1.807 1.00 0.00 C ATOM 1205 C ALA A 107 9.076 4.960 -1.453 1.00 0.00 C ATOM 1206 O ALA A 107 10.153 4.535 -1.822 1.00 0.00 O ATOM 1207 CB ALA A 107 8.096 2.948 -2.564 1.00 0.00 C ATOM 0 H ALA A 107 7.247 5.212 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 107 7.231 3.999 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.710 2.302 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.169 2.434 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.639 3.188 -3.478 1.00 0.00 H new ATOM 1213 N GLY A 108 8.987 6.049 -0.739 1.00 0.00 N ATOM 1214 CA GLY A 108 10.221 6.796 -0.361 1.00 0.00 C ATOM 1215 C GLY A 108 11.032 5.971 0.638 1.00 0.00 C ATOM 1216 O GLY A 108 10.564 4.982 1.167 1.00 0.00 O ATOM 0 H GLY A 108 8.114 6.454 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.819 7.003 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.956 7.759 0.077 1.00 0.00 H new ATOM 1220 N GLY A 109 12.247 6.368 0.902 1.00 0.00 N ATOM 1221 CA GLY A 109 13.087 5.605 1.868 1.00 0.00 C ATOM 1222 C GLY A 109 14.359 6.397 2.177 1.00 0.00 C ATOM 1223 O GLY A 109 14.729 7.301 1.455 1.00 0.00 O ATOM 0 H GLY A 109 12.694 7.187 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 109 12.528 5.422 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.345 4.631 1.452 1.00 0.00 H new ATOM 1227 N LEU A 110 15.032 6.063 3.244 1.00 0.00 N ATOM 1228 CA LEU A 110 16.280 6.797 3.597 1.00 0.00 C ATOM 1229 C LEU A 110 16.908 6.164 4.841 1.00 0.00 C ATOM 1230 O LEU A 110 16.954 6.761 5.898 1.00 0.00 O ATOM 1231 CB LEU A 110 15.947 8.262 3.884 1.00 0.00 C ATOM 1232 CG LEU A 110 14.890 8.339 4.987 1.00 0.00 C ATOM 1233 CD1 LEU A 110 15.369 9.285 6.089 1.00 0.00 C ATOM 1234 CD2 LEU A 110 13.579 8.866 4.399 1.00 0.00 C ATOM 0 H LEU A 110 14.772 5.314 3.886 1.00 0.00 H new ATOM 0 HA LEU A 110 16.982 6.741 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.846 8.797 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 110 15.580 8.746 2.979 1.00 0.00 H new ATOM 0 HG LEU A 110 14.729 7.346 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 110 14.615 9.340 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.304 8.912 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 110 15.530 10.279 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.825 8.921 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 110 13.741 9.859 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.236 8.193 3.613 1.00 0.00 H new ATOM 1246 N GLU A 111 17.393 4.958 4.723 1.00 0.00 N ATOM 1247 CA GLU A 111 18.017 4.288 5.899 1.00 0.00 C ATOM 1248 C GLU A 111 19.449 3.877 5.550 1.00 0.00 C ATOM 1249 O GLU A 111 20.364 4.516 6.042 1.00 0.00 O ATOM 1250 CB GLU A 111 17.205 3.045 6.268 1.00 0.00 C ATOM 1251 CG GLU A 111 16.521 3.264 7.619 1.00 0.00 C ATOM 1252 CD GLU A 111 17.105 2.297 8.650 1.00 0.00 C ATOM 1253 OE1 GLU A 111 18.185 1.784 8.407 1.00 0.00 O ATOM 1254 OE2 GLU A 111 16.463 2.087 9.666 1.00 0.00 O ATOM 0 H GLU A 111 17.384 4.408 3.864 1.00 0.00 H new ATOM 0 HA GLU A 111 18.032 4.976 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.459 2.844 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.857 2.173 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 111 16.664 4.293 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.447 3.106 7.524 1.00 0.00 H new TER 1261 GLU A 111