USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 53:sc= -1.04! USER MOD Set 1.2: A 29 MET CE :methyl -112:sc= -1.73 (180deg=-5.01!) USER MOD Set 2.1: A 10 SER OG : rot -25:sc= -1.42! USER MOD Set 2.2: A 14 THR OG1 : rot -70:sc= -3.63! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -134:sc= -15.2! USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -0.447 (180deg=-2.25!) USER MOD Single : A 15 TYR OH : rot 180:sc= -6.64! USER MOD Single : A 16 CYS SG : rot -150:sc= -5.38! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 170:sc= -1.27 USER MOD Single : A 43 SER OG : rot -34:sc= -1.49! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -98:sc= 0.899 USER MOD Single : A 55 THR OG1 : rot 150:sc= -15.7! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.22) USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= -0.13 (180deg=-0.993) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= -0.922! (180deg=-2.77!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 9.518 -4.981 13.270 1.00 0.00 N ATOM 9 CA GLU A 2 8.480 -3.965 13.297 1.00 0.00 C ATOM 10 C GLU A 2 8.506 -3.145 12.004 1.00 0.00 C ATOM 11 O GLU A 2 7.774 -2.166 11.872 1.00 0.00 O ATOM 12 CB GLU A 2 8.629 -3.060 14.522 1.00 0.00 C ATOM 13 CG GLU A 2 7.477 -3.278 15.505 1.00 0.00 C ATOM 14 CD GLU A 2 6.236 -2.494 15.078 1.00 0.00 C ATOM 15 OE1 GLU A 2 6.087 -2.165 13.892 1.00 0.00 O ATOM 16 OE2 GLU A 2 5.404 -2.227 16.029 1.00 0.00 O ATOM 0 HA GLU A 2 7.513 -4.464 13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.578 -3.265 15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.652 -2.017 14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.239 -4.340 15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.783 -2.966 16.504 1.00 0.00 H new ATOM 24 N ALA A 3 9.357 -3.575 11.086 1.00 0.00 N ATOM 25 CA ALA A 3 9.488 -2.894 9.809 1.00 0.00 C ATOM 26 C ALA A 3 8.529 -3.526 8.798 1.00 0.00 C ATOM 27 O ALA A 3 7.749 -2.825 8.156 1.00 0.00 O ATOM 28 CB ALA A 3 10.945 -2.953 9.346 1.00 0.00 C ATOM 0 H ALA A 3 9.963 -4.387 11.200 1.00 0.00 H new ATOM 0 HA ALA A 3 9.219 -1.842 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.043 -2.442 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.581 -2.465 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.250 -3.994 9.235 1.00 0.00 H new ATOM 34 N VAL A 4 8.620 -4.843 8.688 1.00 0.00 N ATOM 35 CA VAL A 4 7.769 -5.576 7.766 1.00 0.00 C ATOM 36 C VAL A 4 6.337 -5.050 7.872 1.00 0.00 C ATOM 37 O VAL A 4 5.588 -5.077 6.896 1.00 0.00 O ATOM 38 CB VAL A 4 7.877 -7.079 8.036 1.00 0.00 C ATOM 39 CG1 VAL A 4 8.672 -7.779 6.932 1.00 0.00 C ATOM 40 CG2 VAL A 4 8.495 -7.344 9.410 1.00 0.00 C ATOM 0 H VAL A 4 9.269 -5.421 9.221 1.00 0.00 H new ATOM 0 HA VAL A 4 8.096 -5.420 6.738 1.00 0.00 H new ATOM 0 HB VAL A 4 6.869 -7.494 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.734 -8.846 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.173 -7.631 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.677 -7.360 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.561 -8.419 9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.493 -6.909 9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.872 -6.894 10.182 1.00 0.00 H new ATOM 50 N ILE A 5 5.997 -4.586 9.065 1.00 0.00 N ATOM 51 CA ILE A 5 4.667 -4.055 9.311 1.00 0.00 C ATOM 52 C ILE A 5 4.670 -2.547 9.057 1.00 0.00 C ATOM 53 O ILE A 5 4.051 -2.072 8.106 1.00 0.00 O ATOM 54 CB ILE A 5 4.187 -4.441 10.711 1.00 0.00 C ATOM 55 CG1 ILE A 5 4.762 -5.795 11.134 1.00 0.00 C ATOM 56 CG2 ILE A 5 2.660 -4.415 10.795 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.244 -5.900 10.773 1.00 0.00 C ATOM 0 H ILE A 5 6.620 -4.567 9.873 1.00 0.00 H new ATOM 0 HA ILE A 5 3.948 -4.494 8.620 1.00 0.00 H new ATOM 0 HB ILE A 5 4.560 -3.698 11.416 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.636 -5.928 12.209 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.208 -6.597 10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.346 -4.693 11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.300 -3.412 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.244 -5.121 10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.626 -6.872 11.085 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.364 -5.792 9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.799 -5.112 11.281 1.00 0.00 H new ATOM 69 N LYS A 6 5.374 -1.834 9.924 1.00 0.00 N ATOM 70 CA LYS A 6 5.465 -0.388 9.805 1.00 0.00 C ATOM 71 C LYS A 6 5.722 -0.016 8.342 1.00 0.00 C ATOM 72 O LYS A 6 5.406 1.093 7.916 1.00 0.00 O ATOM 73 CB LYS A 6 6.513 0.164 10.773 1.00 0.00 C ATOM 74 CG LYS A 6 6.353 1.676 10.950 1.00 0.00 C ATOM 75 CD LYS A 6 6.659 2.095 12.388 1.00 0.00 C ATOM 76 CE LYS A 6 5.406 2.631 13.083 1.00 0.00 C ATOM 77 NZ LYS A 6 4.470 1.526 13.389 1.00 0.00 N ATOM 0 H LYS A 6 5.887 -2.230 10.712 1.00 0.00 H new ATOM 0 HA LYS A 6 4.522 0.078 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.417 -0.331 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.512 -0.058 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.021 2.199 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.336 1.971 10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.050 1.242 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.435 2.860 12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.685 3.145 14.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.915 3.365 12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.625 1.907 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.190 1.053 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.936 0.840 14.016 1.00 0.00 H new ATOM 90 N VAL A 7 6.294 -0.965 7.616 1.00 0.00 N ATOM 91 CA VAL A 7 6.598 -0.751 6.211 1.00 0.00 C ATOM 92 C VAL A 7 5.290 -0.638 5.423 1.00 0.00 C ATOM 93 O VAL A 7 4.919 0.450 4.986 1.00 0.00 O ATOM 94 CB VAL A 7 7.509 -1.867 5.696 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.821 -3.229 5.798 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.963 -1.587 4.263 1.00 0.00 C ATOM 0 H VAL A 7 6.555 -1.884 7.974 1.00 0.00 H new ATOM 0 HA VAL A 7 7.143 0.184 6.077 1.00 0.00 H new ATOM 0 HB VAL A 7 8.396 -1.893 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.491 -4.004 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.573 -3.434 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.908 -3.221 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.609 -2.396 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.091 -1.519 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.512 -0.646 4.233 1.00 0.00 H new ATOM 106 N ILE A 8 4.630 -1.774 5.267 1.00 0.00 N ATOM 107 CA ILE A 8 3.372 -1.817 4.540 1.00 0.00 C ATOM 108 C ILE A 8 2.496 -0.642 4.979 1.00 0.00 C ATOM 109 O ILE A 8 1.845 -0.005 4.152 1.00 0.00 O ATOM 110 CB ILE A 8 2.701 -3.181 4.707 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.471 -3.849 3.350 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.407 -3.061 5.514 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.664 -2.940 2.421 1.00 0.00 C ATOM 0 H ILE A 8 4.942 -2.674 5.632 1.00 0.00 H new ATOM 0 HA ILE A 8 3.546 -1.704 3.470 1.00 0.00 H new ATOM 0 HB ILE A 8 3.374 -3.825 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.430 -4.085 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.943 -4.792 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.950 -4.045 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.630 -2.659 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.717 -2.393 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.515 -3.439 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.696 -2.725 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.206 -2.007 2.264 1.00 0.00 H new ATOM 125 N SER A 9 2.505 -0.392 6.281 1.00 0.00 N ATOM 126 CA SER A 9 1.719 0.694 6.839 1.00 0.00 C ATOM 127 C SER A 9 2.269 2.040 6.361 1.00 0.00 C ATOM 128 O SER A 9 1.596 2.767 5.632 1.00 0.00 O ATOM 129 CB SER A 9 1.708 0.638 8.367 1.00 0.00 C ATOM 130 OG SER A 9 2.414 -0.496 8.865 1.00 0.00 O ATOM 0 H SER A 9 3.044 -0.923 6.964 1.00 0.00 H new ATOM 0 HA SER A 9 0.692 0.585 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.156 1.548 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.678 0.608 8.721 1.00 0.00 H new ATOM 0 HG SER A 9 3.314 -0.518 8.477 1.00 0.00 H new ATOM 136 N SER A 10 3.490 2.329 6.789 1.00 0.00 N ATOM 137 CA SER A 10 4.138 3.573 6.413 1.00 0.00 C ATOM 138 C SER A 10 4.383 3.601 4.903 1.00 0.00 C ATOM 139 O SER A 10 4.105 4.601 4.243 1.00 0.00 O ATOM 140 CB SER A 10 5.456 3.758 7.168 1.00 0.00 C ATOM 141 OG SER A 10 5.504 4.999 7.865 1.00 0.00 O ATOM 0 H SER A 10 4.046 1.723 7.392 1.00 0.00 H new ATOM 0 HA SER A 10 3.477 4.397 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.586 2.940 7.876 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.287 3.705 6.464 1.00 0.00 H new ATOM 0 HG SER A 10 4.906 5.642 7.429 1.00 0.00 H new ATOM 147 N ALA A 11 4.902 2.491 4.399 1.00 0.00 N ATOM 148 CA ALA A 11 5.187 2.375 2.980 1.00 0.00 C ATOM 149 C ALA A 11 3.936 2.742 2.181 1.00 0.00 C ATOM 150 O ALA A 11 4.026 3.096 1.006 1.00 0.00 O ATOM 151 CB ALA A 11 5.681 0.959 2.672 1.00 0.00 C ATOM 0 H ALA A 11 5.133 1.664 4.949 1.00 0.00 H new ATOM 0 HA ALA A 11 5.978 3.067 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.895 0.872 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.588 0.758 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.912 0.237 2.948 1.00 0.00 H new ATOM 157 N CYS A 12 2.797 2.649 2.849 1.00 0.00 N ATOM 158 CA CYS A 12 1.528 2.967 2.217 1.00 0.00 C ATOM 159 C CYS A 12 1.434 4.488 2.070 1.00 0.00 C ATOM 160 O CYS A 12 1.382 5.004 0.954 1.00 0.00 O ATOM 161 CB CYS A 12 0.346 2.394 3.000 1.00 0.00 C ATOM 162 SG CYS A 12 -1.225 2.812 2.156 1.00 0.00 S ATOM 0 H CYS A 12 2.726 2.357 3.824 1.00 0.00 H new ATOM 0 HA CYS A 12 1.483 2.504 1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.446 1.312 3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.342 2.795 4.014 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.087 3.240 3.030 1.00 0.00 H new ATOM 168 N LYS A 13 1.414 5.160 3.210 1.00 0.00 N ATOM 169 CA LYS A 13 1.326 6.610 3.223 1.00 0.00 C ATOM 170 C LYS A 13 2.736 7.201 3.267 1.00 0.00 C ATOM 171 O LYS A 13 3.045 8.134 2.525 1.00 0.00 O ATOM 172 CB LYS A 13 0.424 7.083 4.364 1.00 0.00 C ATOM 173 CG LYS A 13 -0.815 7.799 3.824 1.00 0.00 C ATOM 174 CD LYS A 13 -0.665 9.318 3.938 1.00 0.00 C ATOM 175 CE LYS A 13 -1.472 9.862 5.117 1.00 0.00 C ATOM 176 NZ LYS A 13 -0.749 9.636 6.389 1.00 0.00 N ATOM 0 H LYS A 13 1.457 4.727 4.133 1.00 0.00 H new ATOM 0 HA LYS A 13 0.857 6.971 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.120 6.229 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.981 7.755 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.973 7.523 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.697 7.475 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.387 9.575 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.000 9.790 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.654 10.928 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.446 9.375 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.322 9.031 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.160 9.170 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.576 10.549 6.857 1.00 0.00 H new ATOM 189 N THR A 14 3.553 6.636 4.143 1.00 0.00 N ATOM 190 CA THR A 14 4.923 7.097 4.294 1.00 0.00 C ATOM 191 C THR A 14 5.684 6.947 2.975 1.00 0.00 C ATOM 192 O THR A 14 6.637 7.680 2.718 1.00 0.00 O ATOM 193 CB THR A 14 5.556 6.322 5.452 1.00 0.00 C ATOM 194 OG1 THR A 14 4.513 6.227 6.418 1.00 0.00 O ATOM 195 CG2 THR A 14 6.649 7.124 6.163 1.00 0.00 C ATOM 0 H THR A 14 3.293 5.863 4.756 1.00 0.00 H new ATOM 0 HA THR A 14 4.960 8.159 4.535 1.00 0.00 H new ATOM 0 HB THR A 14 5.975 5.388 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.344 7.111 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.066 6.530 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.438 7.372 5.453 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.222 8.042 6.567 1.00 0.00 H new ATOM 203 N TYR A 15 5.234 5.992 2.174 1.00 0.00 N ATOM 204 CA TYR A 15 5.860 5.738 0.889 1.00 0.00 C ATOM 205 C TYR A 15 5.525 6.843 -0.114 1.00 0.00 C ATOM 206 O TYR A 15 6.370 7.681 -0.427 1.00 0.00 O ATOM 207 CB TYR A 15 5.273 4.417 0.387 1.00 0.00 C ATOM 208 CG TYR A 15 6.201 3.638 -0.547 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.130 4.311 -1.316 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.108 2.262 -0.623 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.003 3.578 -2.195 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.981 1.530 -1.503 1.00 0.00 C ATOM 213 CZ TYR A 15 7.886 2.224 -2.247 1.00 0.00 C ATOM 214 OH TYR A 15 8.711 1.532 -3.078 1.00 0.00 O ATOM 0 H TYR A 15 4.443 5.385 2.391 1.00 0.00 H new ATOM 0 HA TYR A 15 6.944 5.702 0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.029 3.791 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.338 4.622 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.201 5.387 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.381 1.736 -0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.735 4.092 -2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.920 0.454 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 15 8.515 0.574 -3.011 1.00 0.00 H new ATOM 224 N CYS A 16 4.288 6.811 -0.591 1.00 0.00 N ATOM 225 CA CYS A 16 3.830 7.799 -1.551 1.00 0.00 C ATOM 226 C CYS A 16 2.936 8.803 -0.819 1.00 0.00 C ATOM 227 O CYS A 16 1.913 9.232 -1.349 1.00 0.00 O ATOM 228 CB CYS A 16 3.108 7.149 -2.732 1.00 0.00 C ATOM 229 SG CYS A 16 3.841 7.724 -4.307 1.00 0.00 S ATOM 0 H CYS A 16 3.590 6.115 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 16 4.688 8.320 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.182 6.064 -2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.047 7.399 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 16 2.931 7.723 -5.235 1.00 0.00 H new ATOM 235 N GLY A 17 3.357 9.149 0.389 1.00 0.00 N ATOM 236 CA GLY A 17 2.608 10.094 1.200 1.00 0.00 C ATOM 237 C GLY A 17 3.457 10.614 2.362 1.00 0.00 C ATOM 238 O GLY A 17 2.974 11.377 3.196 1.00 0.00 O ATOM 0 H GLY A 17 4.207 8.792 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.281 10.930 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.710 9.614 1.588 1.00 0.00 H new ATOM 242 N LYS A 18 4.709 10.179 2.379 1.00 0.00 N ATOM 243 CA LYS A 18 5.631 10.592 3.424 1.00 0.00 C ATOM 244 C LYS A 18 5.325 12.036 3.827 1.00 0.00 C ATOM 245 O LYS A 18 4.774 12.800 3.037 1.00 0.00 O ATOM 246 CB LYS A 18 7.078 10.370 2.980 1.00 0.00 C ATOM 247 CG LYS A 18 7.725 11.685 2.542 1.00 0.00 C ATOM 248 CD LYS A 18 8.472 12.343 3.705 1.00 0.00 C ATOM 249 CE LYS A 18 9.972 12.054 3.627 1.00 0.00 C ATOM 250 NZ LYS A 18 10.719 13.286 3.290 1.00 0.00 N ATOM 0 H LYS A 18 5.106 9.545 1.686 1.00 0.00 H new ATOM 0 HA LYS A 18 5.498 9.978 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.650 9.934 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.104 9.656 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.416 11.498 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.959 12.364 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.304 13.420 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.076 11.975 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.322 11.658 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.162 11.289 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.736 13.073 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.396 13.647 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.551 14.005 4.022 1.00 0.00 H new ATOM 334 N LYS A 24 -5.312 7.783 4.787 1.00 0.00 N ATOM 335 CA LYS A 24 -5.592 6.400 4.441 1.00 0.00 C ATOM 336 C LYS A 24 -4.311 5.575 4.581 1.00 0.00 C ATOM 337 O LYS A 24 -4.181 4.516 3.969 1.00 0.00 O ATOM 338 CB LYS A 24 -6.232 6.313 3.055 1.00 0.00 C ATOM 339 CG LYS A 24 -7.251 7.436 2.850 1.00 0.00 C ATOM 340 CD LYS A 24 -8.613 6.871 2.438 1.00 0.00 C ATOM 341 CE LYS A 24 -9.680 7.198 3.484 1.00 0.00 C ATOM 342 NZ LYS A 24 -10.857 6.318 3.317 1.00 0.00 N ATOM 0 HA LYS A 24 -6.322 5.975 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.459 6.374 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.722 5.347 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.355 8.011 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.891 8.123 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.906 7.285 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.540 5.791 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.266 7.075 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.982 8.241 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.571 6.554 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.261 6.455 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.567 5.326 3.430 1.00 0.00 H new ATOM 355 N GLU A 25 -3.398 6.091 5.391 1.00 0.00 N ATOM 356 CA GLU A 25 -2.132 5.414 5.618 1.00 0.00 C ATOM 357 C GLU A 25 -2.365 3.926 5.882 1.00 0.00 C ATOM 358 O GLU A 25 -2.347 3.116 4.956 1.00 0.00 O ATOM 359 CB GLU A 25 -1.364 6.062 6.771 1.00 0.00 C ATOM 360 CG GLU A 25 -0.125 5.241 7.135 1.00 0.00 C ATOM 361 CD GLU A 25 -0.014 5.055 8.650 1.00 0.00 C ATOM 362 OE1 GLU A 25 -0.745 5.708 9.409 1.00 0.00 O ATOM 363 OE2 GLU A 25 0.869 4.196 9.031 1.00 0.00 O ATOM 0 H GLU A 25 -3.509 6.969 5.898 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.524 5.512 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.066 7.072 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.014 6.151 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.174 4.267 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.769 5.740 6.760 1.00 0.00 H new ATOM 371 N ILE A 26 -2.581 3.609 7.151 1.00 0.00 N ATOM 372 CA ILE A 26 -2.818 2.231 7.549 1.00 0.00 C ATOM 373 C ILE A 26 -3.956 1.651 6.708 1.00 0.00 C ATOM 374 O ILE A 26 -3.964 0.459 6.406 1.00 0.00 O ATOM 375 CB ILE A 26 -3.059 2.144 9.057 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.888 2.746 9.837 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.352 0.704 9.483 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.072 2.546 11.343 1.00 0.00 C ATOM 0 H ILE A 26 -2.597 4.283 7.917 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.936 1.620 7.355 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.942 2.737 9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.956 2.282 9.516 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.807 3.810 9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.520 0.670 10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.242 0.345 8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.503 0.069 9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.226 2.983 11.874 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.993 3.032 11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.128 1.480 11.564 1.00 0.00 H new ATOM 390 N GLY A 27 -4.890 2.521 6.354 1.00 0.00 N ATOM 391 CA GLY A 27 -6.032 2.109 5.554 1.00 0.00 C ATOM 392 C GLY A 27 -5.583 1.312 4.329 1.00 0.00 C ATOM 393 O GLY A 27 -5.693 0.086 4.307 1.00 0.00 O ATOM 0 H GLY A 27 -4.880 3.509 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.705 1.503 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.593 2.987 5.235 1.00 0.00 H new ATOM 397 N ALA A 28 -5.087 2.039 3.338 1.00 0.00 N ATOM 398 CA ALA A 28 -4.621 1.413 2.111 1.00 0.00 C ATOM 399 C ALA A 28 -3.669 0.267 2.459 1.00 0.00 C ATOM 400 O ALA A 28 -3.808 -0.838 1.936 1.00 0.00 O ATOM 401 CB ALA A 28 -3.963 2.467 1.220 1.00 0.00 C ATOM 0 H ALA A 28 -4.998 3.055 3.359 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.457 0.990 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.613 1.999 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.689 3.244 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.117 2.911 1.745 1.00 0.00 H new ATOM 407 N MET A 29 -2.726 0.568 3.339 1.00 0.00 N ATOM 408 CA MET A 29 -1.753 -0.424 3.762 1.00 0.00 C ATOM 409 C MET A 29 -2.408 -1.794 3.944 1.00 0.00 C ATOM 410 O MET A 29 -1.913 -2.797 3.431 1.00 0.00 O ATOM 411 CB MET A 29 -1.114 0.016 5.081 1.00 0.00 C ATOM 412 CG MET A 29 -0.875 -1.182 6.001 1.00 0.00 C ATOM 413 SD MET A 29 -1.917 -1.061 7.445 1.00 0.00 S ATOM 414 CE MET A 29 -0.781 -1.636 8.696 1.00 0.00 C ATOM 0 H MET A 29 -2.615 1.485 3.771 1.00 0.00 H new ATOM 0 HA MET A 29 -0.990 -0.508 2.988 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.168 0.520 4.881 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.761 0.738 5.579 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.086 -2.109 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.172 -1.218 6.300 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.119 -2.599 9.079 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.213 -1.747 8.262 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.742 -0.914 9.512 1.00 0.00 H new ATOM 424 N LEU A 30 -3.515 -1.793 4.674 1.00 0.00 N ATOM 425 CA LEU A 30 -4.243 -3.023 4.929 1.00 0.00 C ATOM 426 C LEU A 30 -5.336 -3.193 3.871 1.00 0.00 C ATOM 427 O LEU A 30 -5.372 -4.201 3.167 1.00 0.00 O ATOM 428 CB LEU A 30 -4.771 -3.044 6.365 1.00 0.00 C ATOM 429 CG LEU A 30 -4.142 -4.085 7.294 1.00 0.00 C ATOM 430 CD1 LEU A 30 -2.634 -4.193 7.055 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.469 -3.782 8.758 1.00 0.00 C ATOM 0 H LEU A 30 -3.924 -0.960 5.096 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.579 -3.883 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.619 -2.057 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.847 -3.217 6.333 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.576 -5.057 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.212 -4.939 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.450 -4.489 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.166 -3.227 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.010 -4.537 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.080 -2.798 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.550 -3.795 8.900 1.00 0.00 H new ATOM 443 N SER A 31 -6.200 -2.191 3.792 1.00 0.00 N ATOM 444 CA SER A 31 -7.289 -2.217 2.831 1.00 0.00 C ATOM 445 C SER A 31 -6.746 -2.507 1.431 1.00 0.00 C ATOM 446 O SER A 31 -7.383 -3.212 0.650 1.00 0.00 O ATOM 447 CB SER A 31 -8.061 -0.895 2.838 1.00 0.00 C ATOM 448 OG SER A 31 -9.318 -1.008 2.176 1.00 0.00 O ATOM 0 H SER A 31 -6.168 -1.357 4.378 1.00 0.00 H new ATOM 0 HA SER A 31 -7.978 -3.011 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.221 -0.574 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.463 -0.123 2.352 1.00 0.00 H new ATOM 0 HG SER A 31 -9.781 -0.145 2.203 1.00 0.00 H new ATOM 454 N LEU A 32 -5.577 -1.949 1.158 1.00 0.00 N ATOM 455 CA LEU A 32 -4.940 -2.141 -0.135 1.00 0.00 C ATOM 456 C LEU A 32 -4.520 -3.605 -0.281 1.00 0.00 C ATOM 457 O LEU A 32 -5.069 -4.333 -1.106 1.00 0.00 O ATOM 458 CB LEU A 32 -3.789 -1.150 -0.317 1.00 0.00 C ATOM 459 CG LEU A 32 -4.016 -0.040 -1.346 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.106 -0.614 -2.761 1.00 0.00 C ATOM 461 CD2 LEU A 32 -5.247 0.796 -0.987 1.00 0.00 C ATOM 0 H LEU A 32 -5.053 -1.364 1.809 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.643 -1.930 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.579 -0.687 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.898 -1.708 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.155 0.628 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.267 0.196 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.177 -1.131 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.937 -1.317 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.386 1.578 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.128 0.155 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.104 1.252 -0.007 1.00 0.00 H new ATOM 473 N LEU A 33 -3.549 -3.993 0.534 1.00 0.00 N ATOM 474 CA LEU A 33 -3.049 -5.357 0.506 1.00 0.00 C ATOM 475 C LEU A 33 -4.135 -6.304 1.023 1.00 0.00 C ATOM 476 O LEU A 33 -4.404 -7.336 0.409 1.00 0.00 O ATOM 477 CB LEU A 33 -1.730 -5.459 1.273 1.00 0.00 C ATOM 478 CG LEU A 33 -0.594 -4.562 0.776 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.255 -5.283 -0.274 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.136 -3.229 0.255 1.00 0.00 C ATOM 0 H LEU A 33 -3.096 -3.386 1.217 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.822 -5.659 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.922 -5.222 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.391 -6.494 1.237 1.00 0.00 H new ATOM 0 HG LEU A 33 0.058 -4.338 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.055 -4.623 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.687 -6.183 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.371 -5.556 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.308 -2.610 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.823 -3.413 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.664 -2.712 1.057 1.00 0.00 H new ATOM 492 N GLN A 34 -4.728 -5.919 2.143 1.00 0.00 N ATOM 493 CA GLN A 34 -5.778 -6.721 2.748 1.00 0.00 C ATOM 494 C GLN A 34 -7.037 -6.690 1.878 1.00 0.00 C ATOM 495 O GLN A 34 -8.052 -7.291 2.227 1.00 0.00 O ATOM 496 CB GLN A 34 -6.081 -6.245 4.170 1.00 0.00 C ATOM 497 CG GLN A 34 -6.534 -7.409 5.052 1.00 0.00 C ATOM 498 CD GLN A 34 -8.053 -7.399 5.237 1.00 0.00 C ATOM 499 OE1 GLN A 34 -8.737 -6.439 4.916 1.00 0.00 O ATOM 500 NE2 GLN A 34 -8.540 -8.514 5.772 1.00 0.00 N ATOM 0 H GLN A 34 -4.501 -5.062 2.648 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.430 -7.752 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.192 -5.783 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.857 -5.480 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.225 -8.352 4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.045 -7.345 6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.911 -9.279 6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.542 -8.605 5.937 1.00 0.00 H new ATOM 509 N LYS A 35 -6.931 -5.981 0.764 1.00 0.00 N ATOM 510 CA LYS A 35 -8.048 -5.862 -0.157 1.00 0.00 C ATOM 511 C LYS A 35 -7.540 -6.018 -1.592 1.00 0.00 C ATOM 512 O LYS A 35 -8.150 -5.507 -2.529 1.00 0.00 O ATOM 513 CB LYS A 35 -8.808 -4.557 0.088 1.00 0.00 C ATOM 514 CG LYS A 35 -10.321 -4.786 0.040 1.00 0.00 C ATOM 515 CD LYS A 35 -10.711 -5.615 -1.187 1.00 0.00 C ATOM 516 CE LYS A 35 -11.981 -6.425 -0.920 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.674 -6.738 -2.191 1.00 0.00 N ATOM 0 H LYS A 35 -6.088 -5.483 0.478 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.769 -6.661 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.529 -4.146 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.524 -3.820 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.644 -5.297 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.837 -3.826 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.869 -4.956 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.895 -6.288 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.727 -7.349 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.647 -5.863 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.534 -7.288 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.933 -5.853 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.042 -7.293 -2.803 1.00 0.00 H new ATOM 530 N GLU A 36 -6.428 -6.725 -1.717 1.00 0.00 N ATOM 531 CA GLU A 36 -5.829 -6.954 -3.022 1.00 0.00 C ATOM 532 C GLU A 36 -5.263 -8.373 -3.104 1.00 0.00 C ATOM 533 O GLU A 36 -4.556 -8.710 -4.053 1.00 0.00 O ATOM 534 CB GLU A 36 -4.749 -5.913 -3.320 1.00 0.00 C ATOM 535 CG GLU A 36 -5.274 -4.834 -4.269 1.00 0.00 C ATOM 536 CD GLU A 36 -4.828 -3.442 -3.817 1.00 0.00 C ATOM 537 OE1 GLU A 36 -5.434 -2.862 -2.904 1.00 0.00 O ATOM 538 OE2 GLU A 36 -3.809 -2.966 -4.449 1.00 0.00 O ATOM 0 H GLU A 36 -5.925 -7.147 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.605 -6.850 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.416 -5.453 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.881 -6.401 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.912 -5.026 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.363 -4.876 -4.307 1.00 0.00 H new ATOM 546 N GLY A 37 -5.592 -9.167 -2.096 1.00 0.00 N ATOM 547 CA GLY A 37 -5.124 -10.541 -2.042 1.00 0.00 C ATOM 548 C GLY A 37 -3.642 -10.603 -1.671 1.00 0.00 C ATOM 549 O GLY A 37 -2.905 -11.447 -2.175 1.00 0.00 O ATOM 0 H GLY A 37 -6.177 -8.885 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.709 -11.099 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.281 -11.020 -3.008 1.00 0.00 H new ATOM 553 N LEU A 38 -3.247 -9.694 -0.790 1.00 0.00 N ATOM 554 CA LEU A 38 -1.866 -9.633 -0.344 1.00 0.00 C ATOM 555 C LEU A 38 -1.821 -9.737 1.182 1.00 0.00 C ATOM 556 O LEU A 38 -0.962 -9.137 1.824 1.00 0.00 O ATOM 557 CB LEU A 38 -1.180 -8.381 -0.894 1.00 0.00 C ATOM 558 CG LEU A 38 -0.335 -8.580 -2.155 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.170 -9.188 -3.286 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.335 -7.270 -2.578 1.00 0.00 C ATOM 0 H LEU A 38 -3.861 -8.994 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.302 -10.478 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.946 -7.635 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.541 -7.968 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 38 0.460 -9.289 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.545 -9.319 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.560 -10.156 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.000 -8.523 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.929 -7.439 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.429 -6.520 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.983 -6.917 -1.775 1.00 0.00 H new ATOM 572 N LEU A 39 -2.759 -10.505 1.719 1.00 0.00 N ATOM 573 CA LEU A 39 -2.837 -10.696 3.157 1.00 0.00 C ATOM 574 C LEU A 39 -2.217 -12.046 3.522 1.00 0.00 C ATOM 575 O LEU A 39 -2.876 -13.079 3.434 1.00 0.00 O ATOM 576 CB LEU A 39 -4.279 -10.530 3.641 1.00 0.00 C ATOM 577 CG LEU A 39 -5.358 -10.564 2.557 1.00 0.00 C ATOM 578 CD1 LEU A 39 -5.415 -11.935 1.881 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.718 -10.148 3.124 1.00 0.00 C ATOM 0 H LEU A 39 -3.471 -11.002 1.184 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.261 -9.930 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.492 -11.318 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.356 -9.582 4.173 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.092 -9.838 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.190 -11.931 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.451 -12.154 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.644 -12.698 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.467 -10.181 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.004 -10.832 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.652 -9.135 3.520 1.00 0.00 H new ATOM 591 N MET A 40 -0.956 -11.992 3.926 1.00 0.00 N ATOM 592 CA MET A 40 -0.239 -13.197 4.305 1.00 0.00 C ATOM 593 C MET A 40 0.719 -12.922 5.466 1.00 0.00 C ATOM 594 O MET A 40 1.041 -13.826 6.237 1.00 0.00 O ATOM 595 CB MET A 40 0.551 -13.721 3.104 1.00 0.00 C ATOM 596 CG MET A 40 1.164 -15.090 3.406 1.00 0.00 C ATOM 597 SD MET A 40 2.817 -14.889 4.049 1.00 0.00 S ATOM 598 CE MET A 40 3.767 -15.440 2.641 1.00 0.00 C ATOM 0 H MET A 40 -0.413 -11.132 3.999 1.00 0.00 H new ATOM 0 HA MET A 40 -0.965 -13.944 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.105 -13.796 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.340 -13.014 2.847 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.546 -15.623 4.128 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.188 -15.695 2.500 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.830 -15.379 2.873 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.505 -16.472 2.407 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.546 -14.806 1.782 1.00 0.00 H new ATOM 608 N SER A 41 1.147 -11.672 5.555 1.00 0.00 N ATOM 609 CA SER A 41 2.063 -11.268 6.609 1.00 0.00 C ATOM 610 C SER A 41 2.820 -10.006 6.189 1.00 0.00 C ATOM 611 O SER A 41 2.904 -9.694 5.002 1.00 0.00 O ATOM 612 CB SER A 41 3.046 -12.389 6.944 1.00 0.00 C ATOM 613 OG SER A 41 4.352 -11.890 7.220 1.00 0.00 O ATOM 0 H SER A 41 0.877 -10.925 4.915 1.00 0.00 H new ATOM 0 HA SER A 41 1.480 -11.053 7.505 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.681 -12.945 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.094 -13.090 6.110 1.00 0.00 H new ATOM 0 HG SER A 41 4.907 -12.611 7.584 1.00 0.00 H new ATOM 619 N PRO A 42 3.366 -9.297 7.212 1.00 0.00 N ATOM 620 CA PRO A 42 4.114 -8.076 6.961 1.00 0.00 C ATOM 621 C PRO A 42 5.498 -8.388 6.393 1.00 0.00 C ATOM 622 O PRO A 42 6.286 -7.479 6.131 1.00 0.00 O ATOM 623 CB PRO A 42 4.168 -7.364 8.304 1.00 0.00 C ATOM 624 CG PRO A 42 3.857 -8.424 9.349 1.00 0.00 C ATOM 625 CD PRO A 42 3.286 -9.635 8.630 1.00 0.00 C ATOM 0 HA PRO A 42 3.645 -7.442 6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.151 -6.924 8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.443 -6.551 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.759 -8.696 9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.143 -8.042 10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.858 -10.535 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.257 -9.827 8.934 1.00 0.00 H new ATOM 633 N SER A 43 5.755 -9.676 6.218 1.00 0.00 N ATOM 634 CA SER A 43 7.032 -10.120 5.685 1.00 0.00 C ATOM 635 C SER A 43 7.228 -9.570 4.272 1.00 0.00 C ATOM 636 O SER A 43 8.345 -9.559 3.756 1.00 0.00 O ATOM 637 CB SER A 43 7.125 -11.647 5.679 1.00 0.00 C ATOM 638 OG SER A 43 7.898 -12.139 6.770 1.00 0.00 O ATOM 0 H SER A 43 5.100 -10.427 6.436 1.00 0.00 H new ATOM 0 HA SER A 43 7.824 -9.738 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.122 -12.071 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.569 -11.979 4.741 1.00 0.00 H new ATOM 0 HG SER A 43 8.620 -11.507 6.971 1.00 0.00 H new ATOM 644 N ASP A 44 6.125 -9.127 3.684 1.00 0.00 N ATOM 645 CA ASP A 44 6.163 -8.577 2.340 1.00 0.00 C ATOM 646 C ASP A 44 7.336 -7.602 2.225 1.00 0.00 C ATOM 647 O ASP A 44 7.826 -7.340 1.127 1.00 0.00 O ATOM 648 CB ASP A 44 4.878 -7.810 2.024 1.00 0.00 C ATOM 649 CG ASP A 44 4.536 -7.708 0.536 1.00 0.00 C ATOM 650 OD1 ASP A 44 4.512 -8.717 -0.185 1.00 0.00 O ATOM 651 OD2 ASP A 44 4.283 -6.515 0.114 1.00 0.00 O ATOM 0 H ASP A 44 5.200 -9.138 4.114 1.00 0.00 H new ATOM 0 HA ASP A 44 6.271 -9.405 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.048 -8.293 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.964 -6.803 2.432 1.00 0.00 H new ATOM 657 N LEU A 45 7.754 -7.090 3.373 1.00 0.00 N ATOM 658 CA LEU A 45 8.861 -6.149 3.416 1.00 0.00 C ATOM 659 C LEU A 45 10.182 -6.921 3.401 1.00 0.00 C ATOM 660 O LEU A 45 11.176 -6.448 2.853 1.00 0.00 O ATOM 661 CB LEU A 45 8.715 -5.204 4.609 1.00 0.00 C ATOM 662 CG LEU A 45 10.011 -4.830 5.332 1.00 0.00 C ATOM 663 CD1 LEU A 45 9.852 -3.517 6.100 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.483 -5.970 6.236 1.00 0.00 C ATOM 0 H LEU A 45 7.346 -7.309 4.282 1.00 0.00 H new ATOM 0 HA LEU A 45 8.854 -5.512 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.237 -4.287 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.040 -5.664 5.331 1.00 0.00 H new ATOM 0 HG LEU A 45 10.786 -4.672 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.787 -3.275 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.597 -2.717 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.058 -3.622 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.406 -5.678 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.717 -6.185 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.663 -6.861 5.634 1.00 0.00 H new ATOM 676 N TYR A 46 10.150 -8.097 4.009 1.00 0.00 N ATOM 677 CA TYR A 46 11.331 -8.941 4.074 1.00 0.00 C ATOM 678 C TYR A 46 11.879 -9.224 2.674 1.00 0.00 C ATOM 679 O TYR A 46 12.984 -9.745 2.529 1.00 0.00 O ATOM 680 CB TYR A 46 10.877 -10.257 4.707 1.00 0.00 C ATOM 681 CG TYR A 46 10.747 -10.202 6.231 1.00 0.00 C ATOM 682 CD1 TYR A 46 11.174 -9.085 6.919 1.00 0.00 C ATOM 683 CD2 TYR A 46 10.203 -11.269 6.915 1.00 0.00 C ATOM 684 CE1 TYR A 46 11.052 -9.034 8.353 1.00 0.00 C ATOM 685 CE2 TYR A 46 10.081 -11.217 8.349 1.00 0.00 C ATOM 686 CZ TYR A 46 10.512 -10.102 8.997 1.00 0.00 C ATOM 687 OH TYR A 46 10.395 -10.054 10.352 1.00 0.00 O ATOM 0 H TYR A 46 9.323 -8.486 4.462 1.00 0.00 H new ATOM 0 HA TYR A 46 12.120 -8.453 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.915 -10.541 4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.587 -11.040 4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.599 -8.250 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.869 -12.143 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.382 -8.166 8.904 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.657 -12.045 8.897 1.00 0.00 H new ATOM 0 HH TYR A 46 9.991 -10.886 10.675 1.00 0.00 H new ATOM 697 N SER A 47 11.079 -8.870 1.677 1.00 0.00 N ATOM 698 CA SER A 47 11.471 -9.080 0.293 1.00 0.00 C ATOM 699 C SER A 47 11.079 -7.866 -0.552 1.00 0.00 C ATOM 700 O SER A 47 9.944 -7.396 -0.481 1.00 0.00 O ATOM 701 CB SER A 47 10.832 -10.349 -0.274 1.00 0.00 C ATOM 702 OG SER A 47 11.363 -10.691 -1.550 1.00 0.00 O ATOM 0 H SER A 47 10.162 -8.440 1.800 1.00 0.00 H new ATOM 0 HA SER A 47 12.553 -9.204 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.992 -11.176 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.755 -10.206 -0.356 1.00 0.00 H new ATOM 0 HG SER A 47 10.930 -11.507 -1.876 1.00 0.00 H new ATOM 708 N PRO A 48 12.065 -7.379 -1.352 1.00 0.00 N ATOM 709 CA PRO A 48 11.835 -6.229 -2.209 1.00 0.00 C ATOM 710 C PRO A 48 10.989 -6.612 -3.425 1.00 0.00 C ATOM 711 O PRO A 48 10.940 -7.779 -3.808 1.00 0.00 O ATOM 712 CB PRO A 48 13.221 -5.733 -2.583 1.00 0.00 C ATOM 713 CG PRO A 48 14.167 -6.889 -2.306 1.00 0.00 C ATOM 714 CD PRO A 48 13.421 -7.910 -1.461 1.00 0.00 C ATOM 0 HA PRO A 48 11.266 -5.443 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.261 -5.439 -3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.494 -4.856 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.503 -7.339 -3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.056 -6.537 -1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.425 -8.893 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.882 -8.025 -0.480 1.00 0.00 H new ATOM 722 N GLY A 49 10.344 -5.607 -3.998 1.00 0.00 N ATOM 723 CA GLY A 49 9.503 -5.824 -5.162 1.00 0.00 C ATOM 724 C GLY A 49 8.289 -6.687 -4.809 1.00 0.00 C ATOM 725 O GLY A 49 7.934 -7.599 -5.554 1.00 0.00 O ATOM 0 H GLY A 49 10.387 -4.640 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.169 -4.865 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.082 -6.309 -5.948 1.00 0.00 H new ATOM 729 N SER A 50 7.687 -6.367 -3.673 1.00 0.00 N ATOM 730 CA SER A 50 6.521 -7.103 -3.212 1.00 0.00 C ATOM 731 C SER A 50 5.265 -6.243 -3.372 1.00 0.00 C ATOM 732 O SER A 50 4.186 -6.623 -2.916 1.00 0.00 O ATOM 733 CB SER A 50 6.685 -7.539 -1.755 1.00 0.00 C ATOM 734 OG SER A 50 6.411 -8.926 -1.579 1.00 0.00 O ATOM 0 H SER A 50 7.984 -5.609 -3.058 1.00 0.00 H new ATOM 0 HA SER A 50 6.419 -8.001 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.702 -7.326 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.016 -6.954 -1.124 1.00 0.00 H new ATOM 0 HG SER A 50 5.491 -9.040 -1.260 1.00 0.00 H new ATOM 740 N TRP A 51 5.445 -5.101 -4.017 1.00 0.00 N ATOM 741 CA TRP A 51 4.340 -4.185 -4.242 1.00 0.00 C ATOM 742 C TRP A 51 3.783 -4.451 -5.642 1.00 0.00 C ATOM 743 O TRP A 51 2.804 -3.828 -6.052 1.00 0.00 O ATOM 744 CB TRP A 51 4.781 -2.734 -4.039 1.00 0.00 C ATOM 745 CG TRP A 51 4.915 -2.324 -2.571 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.859 -2.690 -1.694 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.031 -1.448 -1.839 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.651 -2.116 -0.457 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.505 -1.337 -0.547 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.872 -0.770 -2.255 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.879 -0.558 0.433 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.259 0.004 -1.262 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.722 0.126 0.042 1.00 0.00 C ATOM 0 H TRP A 51 6.341 -4.788 -4.392 1.00 0.00 H new ATOM 0 HA TRP A 51 3.546 -4.352 -3.514 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.739 -2.583 -4.537 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.062 -2.075 -4.525 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.680 -3.352 -1.926 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.232 -2.241 0.372 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.485 -0.840 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.268 -0.488 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.363 0.544 -1.529 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.192 0.745 0.750 1.00 0.00 H new ATOM 764 N ASP A 52 4.428 -5.376 -6.335 1.00 0.00 N ATOM 765 CA ASP A 52 4.010 -5.731 -7.680 1.00 0.00 C ATOM 766 C ASP A 52 2.741 -6.587 -7.605 1.00 0.00 C ATOM 767 O ASP A 52 1.967 -6.639 -8.560 1.00 0.00 O ATOM 768 CB ASP A 52 5.088 -6.547 -8.396 1.00 0.00 C ATOM 769 CG ASP A 52 5.397 -6.096 -9.824 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.595 -6.923 -10.727 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.433 -4.819 -9.997 1.00 0.00 O ATOM 0 H ASP A 52 5.238 -5.891 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 52 3.831 -4.808 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.006 -6.502 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.776 -7.591 -8.420 1.00 0.00 H new ATOM 777 N PRO A 53 2.566 -7.252 -6.433 1.00 0.00 N ATOM 778 CA PRO A 53 1.406 -8.102 -6.221 1.00 0.00 C ATOM 779 C PRO A 53 0.151 -7.264 -5.974 1.00 0.00 C ATOM 780 O PRO A 53 -0.943 -7.639 -6.394 1.00 0.00 O ATOM 781 CB PRO A 53 1.774 -8.983 -5.039 1.00 0.00 C ATOM 782 CG PRO A 53 2.930 -8.283 -4.341 1.00 0.00 C ATOM 783 CD PRO A 53 3.462 -7.213 -5.281 1.00 0.00 C ATOM 0 HA PRO A 53 1.165 -8.710 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.927 -9.105 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.064 -9.980 -5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.597 -7.837 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.715 -8.997 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.455 -6.231 -4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.492 -7.419 -5.573 1.00 0.00 H new ATOM 791 N ILE A 54 0.349 -6.143 -5.295 1.00 0.00 N ATOM 792 CA ILE A 54 -0.754 -5.249 -4.987 1.00 0.00 C ATOM 793 C ILE A 54 -1.078 -4.403 -6.219 1.00 0.00 C ATOM 794 O ILE A 54 -2.177 -3.864 -6.336 1.00 0.00 O ATOM 795 CB ILE A 54 -0.442 -4.423 -3.739 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.615 -4.443 -2.758 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.033 -2.996 -4.113 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.135 -3.029 -2.493 1.00 0.00 C ATOM 0 H ILE A 54 1.258 -5.834 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.651 -5.820 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 54 0.408 -4.880 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.419 -5.060 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.301 -4.900 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.183 -2.430 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.856 -3.026 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.847 -2.515 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.969 -3.073 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.336 -2.421 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.471 -2.584 -3.429 1.00 0.00 H new ATOM 810 N THR A 55 -0.101 -4.314 -7.109 1.00 0.00 N ATOM 811 CA THR A 55 -0.268 -3.541 -8.329 1.00 0.00 C ATOM 812 C THR A 55 -1.247 -4.242 -9.274 1.00 0.00 C ATOM 813 O THR A 55 -2.206 -3.632 -9.745 1.00 0.00 O ATOM 814 CB THR A 55 1.116 -3.321 -8.943 1.00 0.00 C ATOM 815 OG1 THR A 55 1.605 -2.155 -8.287 1.00 0.00 O ATOM 816 CG2 THR A 55 1.045 -2.918 -10.418 1.00 0.00 C ATOM 0 H THR A 55 0.809 -4.764 -7.010 1.00 0.00 H new ATOM 0 HA THR A 55 -0.706 -2.565 -8.122 1.00 0.00 H new ATOM 0 HB THR A 55 1.706 -4.232 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.582 -2.198 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.054 -2.774 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.547 -3.704 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.484 -1.989 -10.515 1.00 0.00 H new ATOM 824 N ALA A 56 -0.972 -5.514 -9.521 1.00 0.00 N ATOM 825 CA ALA A 56 -1.816 -6.305 -10.401 1.00 0.00 C ATOM 826 C ALA A 56 -3.097 -6.692 -9.659 1.00 0.00 C ATOM 827 O ALA A 56 -4.073 -7.115 -10.277 1.00 0.00 O ATOM 828 CB ALA A 56 -1.037 -7.525 -10.896 1.00 0.00 C ATOM 0 H ALA A 56 -0.177 -6.017 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.105 -5.726 -11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.670 -8.118 -11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.153 -7.195 -11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.732 -8.132 -10.044 1.00 0.00 H new ATOM 834 N ALA A 57 -3.052 -6.534 -8.345 1.00 0.00 N ATOM 835 CA ALA A 57 -4.197 -6.862 -7.512 1.00 0.00 C ATOM 836 C ALA A 57 -5.316 -5.851 -7.771 1.00 0.00 C ATOM 837 O ALA A 57 -6.358 -6.201 -8.323 1.00 0.00 O ATOM 838 CB ALA A 57 -3.767 -6.892 -6.045 1.00 0.00 C ATOM 0 H ALA A 57 -2.241 -6.183 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.582 -7.851 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.625 -7.138 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.991 -7.645 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.378 -5.914 -5.760 1.00 0.00 H new ATOM 844 N LEU A 58 -5.063 -4.617 -7.361 1.00 0.00 N ATOM 845 CA LEU A 58 -6.035 -3.554 -7.541 1.00 0.00 C ATOM 846 C LEU A 58 -6.467 -3.507 -9.008 1.00 0.00 C ATOM 847 O LEU A 58 -7.644 -3.309 -9.307 1.00 0.00 O ATOM 848 CB LEU A 58 -5.481 -2.225 -7.020 1.00 0.00 C ATOM 849 CG LEU A 58 -4.735 -1.364 -8.040 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.510 -2.099 -8.588 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.673 -0.903 -9.157 1.00 0.00 C ATOM 0 H LEU A 58 -4.197 -4.330 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.929 -3.753 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.309 -1.641 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.807 -2.436 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.373 -0.470 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.998 -1.464 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.831 -2.336 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.827 -3.021 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.118 -0.292 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.085 -1.773 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.485 -0.315 -8.730 1.00 0.00 H new ATOM 863 N SER A 59 -5.491 -3.692 -9.885 1.00 0.00 N ATOM 864 CA SER A 59 -5.755 -3.673 -11.313 1.00 0.00 C ATOM 865 C SER A 59 -6.610 -4.880 -11.703 1.00 0.00 C ATOM 866 O SER A 59 -7.486 -4.774 -12.561 1.00 0.00 O ATOM 867 CB SER A 59 -4.452 -3.665 -12.114 1.00 0.00 C ATOM 868 OG SER A 59 -4.668 -3.326 -13.482 1.00 0.00 O ATOM 0 H SER A 59 -4.516 -3.856 -9.634 1.00 0.00 H new ATOM 0 HA SER A 59 -6.300 -2.759 -11.548 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.757 -2.952 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.983 -4.647 -12.054 1.00 0.00 H new ATOM 0 HG SER A 59 -3.812 -3.330 -13.959 1.00 0.00 H new ATOM 874 N GLN A 60 -6.326 -6.000 -11.054 1.00 0.00 N ATOM 875 CA GLN A 60 -7.059 -7.226 -11.322 1.00 0.00 C ATOM 876 C GLN A 60 -8.497 -7.109 -10.813 1.00 0.00 C ATOM 877 O GLN A 60 -9.412 -7.696 -11.387 1.00 0.00 O ATOM 878 CB GLN A 60 -6.355 -8.433 -10.701 1.00 0.00 C ATOM 879 CG GLN A 60 -5.344 -9.041 -11.677 1.00 0.00 C ATOM 880 CD GLN A 60 -6.054 -9.708 -12.858 1.00 0.00 C ATOM 881 OE1 GLN A 60 -5.810 -9.406 -14.014 1.00 0.00 O ATOM 882 NE2 GLN A 60 -6.946 -10.628 -12.502 1.00 0.00 N ATOM 0 H GLN A 60 -5.599 -6.084 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.088 -7.379 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.846 -8.130 -9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.093 -9.185 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.674 -8.263 -12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.727 -9.774 -11.157 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.102 -10.832 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.475 -11.129 -13.216 1.00 0.00 H new ATOM 891 N ARG A 61 -8.650 -6.345 -9.741 1.00 0.00 N ATOM 892 CA ARG A 61 -9.960 -6.143 -9.147 1.00 0.00 C ATOM 893 C ARG A 61 -10.099 -4.704 -8.644 1.00 0.00 C ATOM 894 O ARG A 61 -10.408 -4.478 -7.475 1.00 0.00 O ATOM 895 CB ARG A 61 -10.193 -7.107 -7.982 1.00 0.00 C ATOM 896 CG ARG A 61 -10.908 -8.374 -8.453 1.00 0.00 C ATOM 897 CD ARG A 61 -11.444 -9.175 -7.265 1.00 0.00 C ATOM 898 NE ARG A 61 -12.257 -10.314 -7.748 1.00 0.00 N ATOM 899 CZ ARG A 61 -13.467 -10.186 -8.332 1.00 0.00 C ATOM 900 NH1 ARG A 61 -14.017 -8.966 -8.511 1.00 0.00 N ATOM 901 NH2 ARG A 61 -14.106 -11.272 -8.726 1.00 0.00 N ATOM 0 H ARG A 61 -7.888 -5.859 -9.269 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.706 -6.337 -9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.238 -7.372 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.787 -6.615 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.730 -8.106 -9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.220 -8.991 -9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.615 -9.540 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.048 -8.532 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.879 -11.254 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.518 -8.131 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.932 -8.879 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.684 -12.190 -8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.021 -11.193 -9.169 1.00 0.00 H new ATOM 913 N ALA A 62 -9.863 -3.769 -9.552 1.00 0.00 N ATOM 914 CA ALA A 62 -9.959 -2.358 -9.216 1.00 0.00 C ATOM 915 C ALA A 62 -11.433 -1.954 -9.139 1.00 0.00 C ATOM 916 O ALA A 62 -11.749 -0.792 -8.890 1.00 0.00 O ATOM 917 CB ALA A 62 -9.181 -1.535 -10.245 1.00 0.00 C ATOM 0 H ALA A 62 -9.605 -3.960 -10.520 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.514 -2.165 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.253 -0.477 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.134 -1.840 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.601 -1.702 -11.237 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.921 3.540 -5.221 1.00 0.00 N ATOM 1041 CA LEU A 71 -8.607 3.089 -5.652 1.00 0.00 C ATOM 1042 C LEU A 71 -7.586 4.203 -5.411 1.00 0.00 C ATOM 1043 O LEU A 71 -6.388 3.942 -5.319 1.00 0.00 O ATOM 1044 CB LEU A 71 -8.658 2.606 -7.102 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.013 1.245 -7.379 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -9.002 0.297 -8.056 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.724 1.404 -8.187 1.00 0.00 C ATOM 0 HA LEU A 71 -8.286 2.229 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.702 2.561 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.170 3.352 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.740 0.795 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.518 -0.662 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.866 0.148 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.329 0.727 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.286 0.423 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.948 1.885 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.018 2.018 -7.628 1.00 0.00 H new ATOM 1059 N LYS A 72 -8.099 5.421 -5.314 1.00 0.00 N ATOM 1060 CA LYS A 72 -7.246 6.576 -5.085 1.00 0.00 C ATOM 1061 C LYS A 72 -6.233 6.245 -3.986 1.00 0.00 C ATOM 1062 O LYS A 72 -5.060 6.600 -4.093 1.00 0.00 O ATOM 1063 CB LYS A 72 -8.091 7.816 -4.790 1.00 0.00 C ATOM 1064 CG LYS A 72 -7.370 9.089 -5.237 1.00 0.00 C ATOM 1065 CD LYS A 72 -6.799 9.848 -4.036 1.00 0.00 C ATOM 1066 CE LYS A 72 -5.274 9.931 -4.116 1.00 0.00 C ATOM 1067 NZ LYS A 72 -4.855 10.544 -5.396 1.00 0.00 N ATOM 0 H LYS A 72 -9.094 5.633 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.677 6.814 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.050 7.738 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.304 7.870 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.565 8.832 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.062 9.731 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.220 10.853 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.092 9.348 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.892 10.519 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.844 8.933 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.992 11.105 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.665 9.796 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.613 11.162 -5.749 1.00 0.00 H new ATOM 1080 N THR A 73 -6.722 5.571 -2.957 1.00 0.00 N ATOM 1081 CA THR A 73 -5.873 5.188 -1.842 1.00 0.00 C ATOM 1082 C THR A 73 -4.717 4.314 -2.326 1.00 0.00 C ATOM 1083 O THR A 73 -3.575 4.499 -1.906 1.00 0.00 O ATOM 1084 CB THR A 73 -6.754 4.506 -0.791 1.00 0.00 C ATOM 1085 OG1 THR A 73 -8.053 5.043 -1.024 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.416 4.950 0.634 1.00 0.00 C ATOM 0 H THR A 73 -7.696 5.280 -2.871 1.00 0.00 H new ATOM 0 HA THR A 73 -5.407 6.059 -1.382 1.00 0.00 H new ATOM 0 HB THR A 73 -6.642 3.425 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.687 4.653 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.069 4.437 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.378 4.703 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.560 6.027 0.723 1.00 0.00 H new ATOM 1094 N TRP A 74 -5.050 3.379 -3.204 1.00 0.00 N ATOM 1095 CA TRP A 74 -4.052 2.476 -3.750 1.00 0.00 C ATOM 1096 C TRP A 74 -2.928 3.321 -4.351 1.00 0.00 C ATOM 1097 O TRP A 74 -1.754 3.106 -4.049 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.679 1.509 -4.758 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.678 0.893 -5.735 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -3.040 -0.281 -5.632 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -3.221 1.469 -6.977 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -2.210 -0.503 -6.712 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -2.323 0.595 -7.555 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.557 2.689 -7.590 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.687 0.848 -8.776 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -2.910 2.926 -8.811 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -2.005 2.058 -9.406 1.00 0.00 C ATOM 0 H TRP A 74 -5.997 3.228 -3.551 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.632 1.846 -2.966 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.180 0.708 -4.214 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.446 2.038 -5.325 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -3.160 -0.968 -4.807 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.622 -1.323 -6.863 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.257 3.387 -7.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.988 0.148 -9.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.132 3.850 -9.325 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.548 2.314 -10.350 1.00 0.00 H new ATOM 1118 N GLY A 75 -3.325 4.263 -5.194 1.00 0.00 N ATOM 1119 CA GLY A 75 -2.366 5.141 -5.842 1.00 0.00 C ATOM 1120 C GLY A 75 -1.230 5.512 -4.886 1.00 0.00 C ATOM 1121 O GLY A 75 -0.056 5.367 -5.226 1.00 0.00 O ATOM 0 H GLY A 75 -4.299 4.437 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.957 4.650 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.869 6.046 -6.184 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.619 5.982 -3.710 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.647 6.373 -2.702 1.00 0.00 C ATOM 1127 C LEU A 76 0.150 5.145 -2.262 1.00 0.00 C ATOM 1128 O LEU A 76 1.363 5.220 -2.072 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.337 7.105 -1.549 1.00 0.00 C ATOM 1130 CG LEU A 76 -1.163 8.625 -1.519 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -2.317 9.324 -2.240 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -0.994 9.129 -0.084 1.00 0.00 C ATOM 0 H LEU A 76 -2.593 6.101 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 76 0.068 7.083 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.403 6.882 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.962 6.698 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.249 8.875 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.168 10.403 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.348 8.997 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.258 9.071 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.872 10.212 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.876 8.867 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.113 8.668 0.362 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.565 4.039 -2.112 1.00 0.00 N ATOM 1145 CA VAL A 77 0.060 2.793 -1.699 1.00 0.00 C ATOM 1146 C VAL A 77 0.960 2.281 -2.825 1.00 0.00 C ATOM 1147 O VAL A 77 2.158 2.083 -2.625 1.00 0.00 O ATOM 1148 CB VAL A 77 -1.011 1.784 -1.283 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -1.398 0.881 -2.455 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -0.547 0.956 -0.082 1.00 0.00 C ATOM 0 H VAL A 77 -1.571 3.980 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 77 0.692 2.954 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.898 2.341 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.161 0.173 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.790 1.490 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.519 0.336 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.327 0.246 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.362 0.413 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.345 1.618 0.760 1.00 0.00 H new ATOM 1160 N LEU A 78 0.349 2.079 -3.982 1.00 0.00 N ATOM 1161 CA LEU A 78 1.080 1.593 -5.140 1.00 0.00 C ATOM 1162 C LEU A 78 2.035 2.683 -5.631 1.00 0.00 C ATOM 1163 O LEU A 78 3.245 2.475 -5.687 1.00 0.00 O ATOM 1164 CB LEU A 78 0.111 1.095 -6.216 1.00 0.00 C ATOM 1165 CG LEU A 78 0.576 -0.118 -7.025 1.00 0.00 C ATOM 1166 CD1 LEU A 78 1.813 0.222 -7.859 1.00 0.00 C ATOM 1167 CD2 LEU A 78 0.810 -1.328 -6.119 1.00 0.00 C ATOM 0 H LEU A 78 -0.645 2.243 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 78 1.691 0.732 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.836 0.847 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.086 1.914 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.218 -0.388 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.123 -0.657 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.575 1.032 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.623 0.533 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.140 -2.175 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.575 -1.087 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.118 -1.585 -5.608 1.00 0.00 H new ATOM 1179 N GLY A 79 1.453 3.824 -5.974 1.00 0.00 N ATOM 1180 CA GLY A 79 2.235 4.947 -6.458 1.00 0.00 C ATOM 1181 C GLY A 79 3.559 5.062 -5.698 1.00 0.00 C ATOM 1182 O GLY A 79 4.545 5.566 -6.234 1.00 0.00 O ATOM 0 H GLY A 79 0.448 3.993 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.432 4.825 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.664 5.869 -6.343 1.00 0.00 H new ATOM 1186 N ALA A 80 3.538 4.583 -4.462 1.00 0.00 N ATOM 1187 CA ALA A 80 4.724 4.625 -3.623 1.00 0.00 C ATOM 1188 C ALA A 80 5.776 3.665 -4.186 1.00 0.00 C ATOM 1189 O ALA A 80 6.920 4.054 -4.407 1.00 0.00 O ATOM 1190 CB ALA A 80 4.341 4.290 -2.180 1.00 0.00 C ATOM 0 H ALA A 80 2.719 4.164 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 80 5.158 5.625 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.231 4.321 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.615 5.018 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.905 3.292 -2.142 1.00 0.00 H new ATOM 1196 N LEU A 81 5.346 2.429 -4.401 1.00 0.00 N ATOM 1197 CA LEU A 81 6.237 1.411 -4.933 1.00 0.00 C ATOM 1198 C LEU A 81 6.926 1.949 -6.189 1.00 0.00 C ATOM 1199 O LEU A 81 8.131 1.773 -6.364 1.00 0.00 O ATOM 1200 CB LEU A 81 5.477 0.103 -5.161 1.00 0.00 C ATOM 1201 CG LEU A 81 5.980 -0.772 -6.312 1.00 0.00 C ATOM 1202 CD1 LEU A 81 7.276 -1.488 -5.932 1.00 0.00 C ATOM 1203 CD2 LEU A 81 4.895 -1.752 -6.767 1.00 0.00 C ATOM 0 H LEU A 81 4.395 2.110 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 81 7.022 1.177 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.516 -0.482 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.429 0.341 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 81 6.208 -0.125 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.611 -2.102 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.043 -0.751 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.100 -2.122 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.276 -2.363 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.614 -2.396 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.021 -1.196 -7.106 1.00 0.00 H new ATOM 1215 N LYS A 82 6.131 2.593 -7.032 1.00 0.00 N ATOM 1216 CA LYS A 82 6.650 3.156 -8.267 1.00 0.00 C ATOM 1217 C LYS A 82 7.517 4.374 -7.942 1.00 0.00 C ATOM 1218 O LYS A 82 8.401 4.736 -8.717 1.00 0.00 O ATOM 1219 CB LYS A 82 5.507 3.457 -9.240 1.00 0.00 C ATOM 1220 CG LYS A 82 5.246 2.267 -10.164 1.00 0.00 C ATOM 1221 CD LYS A 82 3.977 1.519 -9.748 1.00 0.00 C ATOM 1222 CE LYS A 82 4.311 0.115 -9.238 1.00 0.00 C ATOM 1223 NZ LYS A 82 5.459 -0.448 -9.985 1.00 0.00 N ATOM 0 H LYS A 82 5.132 2.737 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 82 7.290 2.435 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.602 3.693 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.753 4.337 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.147 2.615 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.098 1.588 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.459 2.079 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.297 1.449 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.546 0.154 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.443 -0.535 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.372 -1.483 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.468 -0.062 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.345 -0.195 -9.503 1.00 0.00 H new ATOM 1236 N ALA A 83 7.237 4.971 -6.793 1.00 0.00 N ATOM 1237 CA ALA A 83 7.981 6.140 -6.356 1.00 0.00 C ATOM 1238 C ALA A 83 9.405 5.721 -5.984 1.00 0.00 C ATOM 1239 O ALA A 83 10.354 6.474 -6.203 1.00 0.00 O ATOM 1240 CB ALA A 83 7.246 6.807 -5.192 1.00 0.00 C ATOM 0 H ALA A 83 6.505 4.667 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 83 8.052 6.874 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.804 7.684 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.251 7.111 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.159 6.102 -4.365 1.00 0.00 H new ATOM 1246 N ALA A 84 9.510 4.525 -5.426 1.00 0.00 N ATOM 1247 CA ALA A 84 10.802 3.997 -5.022 1.00 0.00 C ATOM 1248 C ALA A 84 11.678 3.801 -6.260 1.00 0.00 C ATOM 1249 O ALA A 84 12.821 4.258 -6.296 1.00 0.00 O ATOM 1250 CB ALA A 84 10.602 2.700 -4.238 1.00 0.00 C ATOM 0 H ALA A 84 8.721 3.905 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 84 11.314 4.699 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.572 2.305 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.999 2.900 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.093 1.970 -4.867 1.00 0.00 H new ATOM 1256 N ARG A 85 11.112 3.120 -7.245 1.00 0.00 N ATOM 1257 CA ARG A 85 11.827 2.858 -8.482 1.00 0.00 C ATOM 1258 C ARG A 85 12.106 4.167 -9.223 1.00 0.00 C ATOM 1259 O ARG A 85 13.012 4.235 -10.053 1.00 0.00 O ATOM 1260 CB ARG A 85 11.027 1.925 -9.394 1.00 0.00 C ATOM 1261 CG ARG A 85 11.879 0.736 -9.846 1.00 0.00 C ATOM 1262 CD ARG A 85 11.003 -0.481 -10.148 1.00 0.00 C ATOM 1263 NE ARG A 85 10.061 -0.168 -11.247 1.00 0.00 N ATOM 1264 CZ ARG A 85 9.416 -1.101 -11.977 1.00 0.00 C ATOM 1265 NH1 ARG A 85 9.605 -2.415 -11.734 1.00 0.00 N ATOM 1266 NH2 ARG A 85 8.597 -0.708 -12.935 1.00 0.00 N ATOM 0 H ARG A 85 10.165 2.741 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 85 12.769 2.375 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.144 1.564 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.675 2.477 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.448 1.009 -10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.601 0.485 -9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.628 -1.330 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.449 -0.771 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 85 9.889 0.813 -11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.240 -2.710 -10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.112 -3.113 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.461 0.287 -13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.101 -1.399 -13.497 1.00 0.00 H new ATOM 1278 N GLU A 86 11.312 5.177 -8.895 1.00 0.00 N ATOM 1279 CA GLU A 86 11.463 6.480 -9.518 1.00 0.00 C ATOM 1280 C GLU A 86 12.524 7.300 -8.783 1.00 0.00 C ATOM 1281 O GLU A 86 13.282 8.042 -9.407 1.00 0.00 O ATOM 1282 CB GLU A 86 10.126 7.223 -9.562 1.00 0.00 C ATOM 1283 CG GLU A 86 10.275 8.577 -10.261 1.00 0.00 C ATOM 1284 CD GLU A 86 10.126 8.429 -11.777 1.00 0.00 C ATOM 1285 OE1 GLU A 86 10.262 7.317 -12.308 1.00 0.00 O ATOM 1286 OE2 GLU A 86 9.857 9.523 -12.407 1.00 0.00 O ATOM 0 H GLU A 86 10.562 5.118 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 86 11.794 6.335 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.387 6.618 -10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.755 7.372 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.523 9.270 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.250 9.006 -10.028 1.00 0.00 H new ATOM 1294 N GLU A 87 12.543 7.141 -7.468 1.00 0.00 N ATOM 1295 CA GLU A 87 13.499 7.857 -6.642 1.00 0.00 C ATOM 1296 C GLU A 87 13.387 9.364 -6.884 1.00 0.00 C ATOM 1297 O GLU A 87 13.669 10.163 -5.993 1.00 0.00 O ATOM 1298 CB GLU A 87 14.925 7.366 -6.900 1.00 0.00 C ATOM 1299 CG GLU A 87 15.634 7.024 -5.587 1.00 0.00 C ATOM 1300 CD GLU A 87 17.137 6.847 -5.806 1.00 0.00 C ATOM 1301 OE1 GLU A 87 17.706 7.451 -6.728 1.00 0.00 O ATOM 1302 OE2 GLU A 87 17.720 6.050 -4.975 1.00 0.00 O ATOM 0 H GLU A 87 11.911 6.527 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 87 13.265 7.658 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.900 6.487 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.487 8.134 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.460 7.816 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.213 6.109 -5.170 1.00 0.00 H new