USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -177:sc= 0.0665 (180deg=0.0646) USER MOD Single : A 2 LYS NZ :NH3+ -129:sc= -0.927 (180deg=-2.12!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -131:sc= -0.851! USER MOD Single : A 9 SER OG : rot -36:sc= 1.66 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.105) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 22:sc= 0.713 USER MOD Single : A 20 HIS : no HD1:sc= -16.2! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= 0.0397 X(o=0.04,f=-0.051) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.058 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.54! USER MOD Single : A 58 THR OG1 : rot 174:sc= -4.8! USER MOD Single : A 59 SER OG : rot 85:sc= 1.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -1.07 USER MOD Single : A 72 ASN : amide:sc= -1.79! C(o=-1.8!,f=-5.8!) USER MOD Single : A 73 TYR OH : rot 121:sc= -2.3 USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.64) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.62 X(o=-2.6,f=-2.5) USER MOD Single : A 93 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.165 1.219 1.327 1.00 0.00 N ATOM 2 CA LEU A 1 20.102 1.510 2.330 1.00 0.00 C ATOM 3 C LEU A 1 18.968 0.494 2.182 1.00 0.00 C ATOM 4 O LEU A 1 18.024 0.704 1.446 1.00 0.00 O ATOM 5 CB LEU A 1 19.557 2.921 2.100 1.00 0.00 C ATOM 6 CG LEU A 1 19.518 3.675 3.430 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.495 3.020 4.360 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.902 3.629 4.082 1.00 0.00 C ATOM 0 H1 LEU A 1 21.958 1.878 1.461 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.501 0.243 1.451 1.00 0.00 H new ATOM 0 H3 LEU A 1 20.778 1.333 0.368 1.00 0.00 H new ATOM 0 HA LEU A 1 20.521 1.441 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.186 3.453 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 1 18.557 2.871 1.669 1.00 0.00 H new ATOM 0 HG LEU A 1 19.233 4.712 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.468 3.558 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.509 3.052 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.778 1.983 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 1 20.876 4.166 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 1 21.186 2.592 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.632 4.096 3.421 1.00 0.00 H new ATOM 22 N LYS A 2 19.052 -0.608 2.878 1.00 0.00 N ATOM 23 CA LYS A 2 17.980 -1.637 2.779 1.00 0.00 C ATOM 24 C LYS A 2 16.702 -1.105 3.430 1.00 0.00 C ATOM 25 O LYS A 2 16.758 -0.404 4.421 1.00 0.00 O ATOM 26 CB LYS A 2 18.427 -2.910 3.500 1.00 0.00 C ATOM 27 CG LYS A 2 19.785 -3.356 2.954 1.00 0.00 C ATOM 28 CD LYS A 2 19.744 -4.854 2.644 1.00 0.00 C ATOM 29 CE LYS A 2 19.267 -5.619 3.880 1.00 0.00 C ATOM 30 NZ LYS A 2 17.865 -6.078 3.668 1.00 0.00 N ATOM 0 H LYS A 2 19.818 -0.839 3.511 1.00 0.00 H new ATOM 0 HA LYS A 2 17.788 -1.862 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.496 -2.728 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.689 -3.699 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.029 -2.794 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.568 -3.146 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.075 -5.044 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.734 -5.202 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.917 -6.474 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.323 -4.979 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.281 -5.795 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.486 -5.646 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.849 -7.114 3.574 1.00 0.00 H new ATOM 44 N PRO A 3 15.586 -1.459 2.850 1.00 0.00 N ATOM 45 CA PRO A 3 14.324 -0.727 3.042 1.00 0.00 C ATOM 46 C PRO A 3 13.708 -1.076 4.395 1.00 0.00 C ATOM 47 O PRO A 3 13.184 -2.155 4.587 1.00 0.00 O ATOM 48 CB PRO A 3 13.443 -1.220 1.893 1.00 0.00 C ATOM 49 CG PRO A 3 14.020 -2.587 1.460 1.00 0.00 C ATOM 50 CD PRO A 3 15.480 -2.625 1.952 1.00 0.00 C ATOM 0 HA PRO A 3 14.450 0.356 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.406 -1.320 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.454 -0.513 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.444 -3.405 1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.973 -2.702 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.700 -3.554 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.183 -2.554 1.122 1.00 0.00 H new ATOM 58 N LYS A 4 13.764 -0.174 5.338 1.00 0.00 N ATOM 59 CA LYS A 4 13.174 -0.474 6.670 1.00 0.00 C ATOM 60 C LYS A 4 11.693 -0.104 6.659 1.00 0.00 C ATOM 61 O LYS A 4 11.299 0.911 7.194 1.00 0.00 O ATOM 62 CB LYS A 4 13.895 0.332 7.752 1.00 0.00 C ATOM 63 CG LYS A 4 14.941 -0.551 8.436 1.00 0.00 C ATOM 64 CD LYS A 4 16.275 0.195 8.501 1.00 0.00 C ATOM 65 CE LYS A 4 17.231 -0.377 7.453 1.00 0.00 C ATOM 66 NZ LYS A 4 18.531 -0.713 8.098 1.00 0.00 N ATOM 0 H LYS A 4 14.189 0.748 5.244 1.00 0.00 H new ATOM 0 HA LYS A 4 13.286 -1.537 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.374 1.206 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.177 0.699 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.610 -0.814 9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.061 -1.484 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.118 1.259 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.709 0.099 9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.798 -1.268 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.386 0.347 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.182 -1.102 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.945 0.146 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.375 -1.418 8.846 1.00 0.00 H new ATOM 80 N ILE A 5 10.873 -0.924 6.053 1.00 0.00 N ATOM 81 CA ILE A 5 9.411 -0.634 6.004 1.00 0.00 C ATOM 82 C ILE A 5 8.797 -0.954 7.369 1.00 0.00 C ATOM 83 O ILE A 5 8.782 -2.088 7.806 1.00 0.00 O ATOM 84 CB ILE A 5 8.767 -1.486 4.904 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.400 -0.907 4.536 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.599 -2.926 5.385 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.289 -0.790 3.015 1.00 0.00 C ATOM 0 H ILE A 5 11.156 -1.786 5.588 1.00 0.00 H new ATOM 0 HA ILE A 5 9.237 0.418 5.777 1.00 0.00 H new ATOM 0 HB ILE A 5 9.414 -1.477 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.606 -1.547 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.272 0.072 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.141 -3.522 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.575 -3.343 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.961 -2.942 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.315 -0.377 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.074 -0.132 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.398 -1.777 2.565 1.00 0.00 H new ATOM 99 N LEU A 6 8.316 0.046 8.061 1.00 0.00 N ATOM 100 CA LEU A 6 7.735 -0.197 9.411 1.00 0.00 C ATOM 101 C LEU A 6 6.235 0.108 9.423 1.00 0.00 C ATOM 102 O LEU A 6 5.592 -0.018 10.445 1.00 0.00 O ATOM 103 CB LEU A 6 8.439 0.701 10.430 1.00 0.00 C ATOM 104 CG LEU A 6 9.536 -0.093 11.139 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.852 0.685 11.075 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.144 -0.308 12.603 1.00 0.00 C ATOM 0 H LEU A 6 8.301 1.017 7.749 1.00 0.00 H new ATOM 0 HA LEU A 6 7.878 -1.247 9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.869 1.569 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.720 1.077 11.158 1.00 0.00 H new ATOM 0 HG LEU A 6 9.660 -1.059 10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.634 0.119 11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.132 0.841 10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.728 1.650 11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.926 -0.874 13.110 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.021 0.658 13.092 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.206 -0.861 12.651 1.00 0.00 H new ATOM 118 N THR A 7 5.674 0.515 8.308 1.00 0.00 N ATOM 119 CA THR A 7 4.209 0.827 8.273 1.00 0.00 C ATOM 120 C THR A 7 3.443 -0.131 9.194 1.00 0.00 C ATOM 121 O THR A 7 3.636 -1.330 9.156 1.00 0.00 O ATOM 122 CB THR A 7 3.683 0.669 6.846 1.00 0.00 C ATOM 123 OG1 THR A 7 2.268 0.542 6.883 1.00 0.00 O ATOM 124 CG2 THR A 7 4.290 -0.581 6.206 1.00 0.00 C ATOM 0 H THR A 7 6.166 0.644 7.424 1.00 0.00 H new ATOM 0 HA THR A 7 4.062 1.852 8.612 1.00 0.00 H new ATOM 0 HB THR A 7 3.960 1.543 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.994 -0.224 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.912 -0.689 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.376 -0.487 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.015 -1.459 6.791 1.00 0.00 H new ATOM 132 N ALA A 8 2.582 0.392 10.026 1.00 0.00 N ATOM 133 CA ALA A 8 1.811 -0.484 10.956 1.00 0.00 C ATOM 134 C ALA A 8 1.331 -1.729 10.218 1.00 0.00 C ATOM 135 O ALA A 8 1.524 -2.844 10.658 1.00 0.00 O ATOM 136 CB ALA A 8 0.604 0.285 11.498 1.00 0.00 C ATOM 0 H ALA A 8 2.379 1.389 10.102 1.00 0.00 H new ATOM 0 HA ALA A 8 2.455 -0.784 11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.040 -0.354 12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.947 1.170 12.034 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.036 0.588 10.670 1.00 0.00 H new ATOM 142 N SER A 9 0.708 -1.538 9.102 1.00 0.00 N ATOM 143 CA SER A 9 0.204 -2.696 8.312 1.00 0.00 C ATOM 144 C SER A 9 -0.801 -3.492 9.146 1.00 0.00 C ATOM 145 O SER A 9 -0.530 -3.882 10.264 1.00 0.00 O ATOM 146 CB SER A 9 1.376 -3.596 7.924 1.00 0.00 C ATOM 147 OG SER A 9 1.498 -4.645 8.875 1.00 0.00 O ATOM 0 H SER A 9 0.521 -0.623 8.693 1.00 0.00 H new ATOM 0 HA SER A 9 -0.288 -2.331 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.218 -4.009 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.298 -3.016 7.885 1.00 0.00 H new ATOM 0 HG SER A 9 1.271 -4.307 9.766 1.00 0.00 H new ATOM 153 N ARG A 10 -1.963 -3.732 8.604 1.00 0.00 N ATOM 154 CA ARG A 10 -2.997 -4.497 9.350 1.00 0.00 C ATOM 155 C ARG A 10 -4.265 -4.577 8.506 1.00 0.00 C ATOM 156 O ARG A 10 -4.460 -5.496 7.735 1.00 0.00 O ATOM 157 CB ARG A 10 -3.300 -3.784 10.668 1.00 0.00 C ATOM 158 CG ARG A 10 -4.542 -4.402 11.312 1.00 0.00 C ATOM 159 CD ARG A 10 -4.486 -4.203 12.827 1.00 0.00 C ATOM 160 NE ARG A 10 -4.921 -2.819 13.163 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.073 -1.831 13.082 1.00 0.00 C ATOM 162 NH1 ARG A 10 -3.193 -1.647 14.028 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.104 -1.027 12.055 1.00 0.00 N ATOM 0 H ARG A 10 -2.241 -3.428 7.671 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.635 -5.504 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.448 -3.868 11.343 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.461 -2.721 10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.442 -3.940 10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.596 -5.465 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.130 -4.929 13.324 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.473 -4.375 13.190 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.882 -2.644 13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.168 -2.276 14.831 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.530 -0.874 13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.791 -1.171 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.441 -0.255 11.992 1.00 0.00 H new ATOM 177 N LYS A 11 -5.123 -3.614 8.645 1.00 0.00 N ATOM 178 CA LYS A 11 -6.384 -3.614 7.853 1.00 0.00 C ATOM 179 C LYS A 11 -6.760 -2.178 7.487 1.00 0.00 C ATOM 180 O LYS A 11 -6.040 -1.243 7.777 1.00 0.00 O ATOM 181 CB LYS A 11 -7.513 -4.238 8.676 1.00 0.00 C ATOM 182 CG LYS A 11 -7.626 -3.512 10.019 1.00 0.00 C ATOM 183 CD LYS A 11 -8.901 -2.666 10.035 1.00 0.00 C ATOM 184 CE LYS A 11 -10.106 -3.552 9.716 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.146 -3.373 10.768 1.00 0.00 N ATOM 0 H LYS A 11 -5.008 -2.821 9.276 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.234 -4.196 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.455 -4.168 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.316 -5.298 8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.646 -4.235 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.754 -2.878 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.028 -2.199 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.825 -1.861 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.513 -3.292 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.800 -4.597 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.036 -3.809 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.830 -3.826 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.299 -2.358 10.936 1.00 0.00 H new ATOM 199 N ILE A 12 -7.884 -1.999 6.852 1.00 0.00 N ATOM 200 CA ILE A 12 -8.315 -0.629 6.462 1.00 0.00 C ATOM 201 C ILE A 12 -9.837 -0.605 6.321 1.00 0.00 C ATOM 202 O ILE A 12 -10.373 -0.757 5.241 1.00 0.00 O ATOM 203 CB ILE A 12 -7.674 -0.256 5.126 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.161 -0.119 5.305 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.244 1.074 4.641 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.867 1.033 6.268 1.00 0.00 C ATOM 0 H ILE A 12 -8.525 -2.746 6.585 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.005 0.086 7.224 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.887 -1.035 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.744 -1.048 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.685 0.066 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.787 1.340 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.323 0.983 4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.030 1.851 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.789 1.133 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.271 1.960 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.331 0.828 7.233 1.00 0.00 H new ATOM 218 N LYS A 13 -10.538 -0.427 7.405 1.00 0.00 N ATOM 219 CA LYS A 13 -12.025 -0.406 7.335 1.00 0.00 C ATOM 220 C LYS A 13 -12.499 0.863 6.621 1.00 0.00 C ATOM 221 O LYS A 13 -12.670 1.899 7.231 1.00 0.00 O ATOM 222 CB LYS A 13 -12.598 -0.434 8.754 1.00 0.00 C ATOM 223 CG LYS A 13 -13.916 -1.212 8.756 1.00 0.00 C ATOM 224 CD LYS A 13 -15.075 -0.251 9.029 1.00 0.00 C ATOM 225 CE LYS A 13 -15.509 -0.377 10.490 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.532 0.335 11.361 1.00 0.00 N ATOM 0 H LYS A 13 -10.145 -0.295 8.337 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.370 -1.278 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.887 -0.900 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.763 0.582 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.059 -1.708 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.889 -1.992 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.770 0.774 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.912 -0.478 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.505 0.045 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.567 -1.428 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.826 0.250 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.589 -0.087 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.498 1.340 11.095 1.00 0.00 H new ATOM 240 N ILE A 14 -12.728 0.790 5.336 1.00 0.00 N ATOM 241 CA ILE A 14 -13.206 1.996 4.603 1.00 0.00 C ATOM 242 C ILE A 14 -14.708 1.840 4.328 1.00 0.00 C ATOM 243 O ILE A 14 -15.268 0.769 4.467 1.00 0.00 O ATOM 244 CB ILE A 14 -12.442 2.137 3.276 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.980 1.712 3.476 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.495 3.593 2.802 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.142 2.101 2.248 1.00 0.00 C ATOM 0 H ILE A 14 -12.605 -0.047 4.767 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.031 2.889 5.203 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.904 1.497 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.574 2.188 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.925 0.635 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.953 3.689 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.533 3.890 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.037 4.237 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.107 1.795 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.540 1.604 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.183 3.181 2.107 1.00 0.00 H new ATOM 259 N LYS A 15 -15.373 2.890 3.941 1.00 0.00 N ATOM 260 CA LYS A 15 -16.830 2.769 3.658 1.00 0.00 C ATOM 261 C LYS A 15 -17.041 2.837 2.146 1.00 0.00 C ATOM 262 O LYS A 15 -16.169 3.254 1.410 1.00 0.00 O ATOM 263 CB LYS A 15 -17.600 3.899 4.350 1.00 0.00 C ATOM 264 CG LYS A 15 -16.860 4.323 5.621 1.00 0.00 C ATOM 265 CD LYS A 15 -17.841 4.998 6.581 1.00 0.00 C ATOM 266 CE LYS A 15 -18.243 4.011 7.679 1.00 0.00 C ATOM 267 NZ LYS A 15 -17.608 4.414 8.965 1.00 0.00 N ATOM 0 H LYS A 15 -14.976 3.820 3.809 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.202 1.819 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.701 4.749 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.608 3.567 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.407 3.454 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.049 5.008 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.383 5.883 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.725 5.334 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.328 3.992 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.932 3.002 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.881 3.744 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.574 4.411 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.926 5.370 9.225 1.00 0.00 H new ATOM 281 N ALA A 16 -18.177 2.416 1.670 1.00 0.00 N ATOM 282 CA ALA A 16 -18.415 2.445 0.201 1.00 0.00 C ATOM 283 C ALA A 16 -18.471 3.894 -0.293 1.00 0.00 C ATOM 284 O ALA A 16 -18.927 4.778 0.400 1.00 0.00 O ATOM 285 CB ALA A 16 -19.735 1.745 -0.117 1.00 0.00 C ATOM 0 H ALA A 16 -18.948 2.054 2.231 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.598 1.929 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.908 1.767 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.689 0.710 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.551 2.258 0.392 1.00 0.00 H new ATOM 291 N GLY A 17 -18.014 4.135 -1.494 1.00 0.00 N ATOM 292 CA GLY A 17 -18.035 5.520 -2.052 1.00 0.00 C ATOM 293 C GLY A 17 -17.372 6.491 -1.070 1.00 0.00 C ATOM 294 O GLY A 17 -17.791 7.622 -0.928 1.00 0.00 O ATOM 0 H GLY A 17 -17.624 3.427 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.512 5.544 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.063 5.828 -2.243 1.00 0.00 H new ATOM 298 N PHE A 18 -16.348 6.060 -0.379 1.00 0.00 N ATOM 299 CA PHE A 18 -15.679 6.970 0.604 1.00 0.00 C ATOM 300 C PHE A 18 -14.259 7.314 0.154 1.00 0.00 C ATOM 301 O PHE A 18 -13.785 6.865 -0.873 1.00 0.00 O ATOM 302 CB PHE A 18 -15.600 6.289 1.969 1.00 0.00 C ATOM 303 CG PHE A 18 -16.814 6.656 2.776 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.057 6.735 2.150 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.700 6.909 4.147 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.196 7.066 2.892 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.838 7.243 4.892 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.087 7.321 4.264 1.00 0.00 C ATOM 0 H PHE A 18 -15.947 5.125 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.268 7.885 0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.544 5.207 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.695 6.598 2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.141 6.540 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.736 6.847 4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.159 7.125 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.752 7.440 5.950 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.965 7.578 4.838 1.00 0.00 H new ATOM 318 N THR A 19 -13.578 8.109 0.940 1.00 0.00 N ATOM 319 CA THR A 19 -12.184 8.498 0.601 1.00 0.00 C ATOM 320 C THR A 19 -11.246 8.050 1.726 1.00 0.00 C ATOM 321 O THR A 19 -11.387 8.452 2.864 1.00 0.00 O ATOM 322 CB THR A 19 -12.103 10.017 0.440 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.430 10.641 1.674 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.088 10.467 -0.640 1.00 0.00 C ATOM 0 H THR A 19 -13.935 8.506 1.809 1.00 0.00 H new ATOM 0 HA THR A 19 -11.887 8.020 -0.333 1.00 0.00 H new ATOM 0 HB THR A 19 -11.092 10.300 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.297 10.005 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.031 11.549 -0.756 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.835 9.987 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.100 10.186 -0.349 1.00 0.00 H new ATOM 332 N HIS A 20 -10.295 7.211 1.417 1.00 0.00 N ATOM 333 CA HIS A 20 -9.351 6.724 2.469 1.00 0.00 C ATOM 334 C HIS A 20 -7.959 7.315 2.232 1.00 0.00 C ATOM 335 O HIS A 20 -7.617 7.706 1.134 1.00 0.00 O ATOM 336 CB HIS A 20 -9.261 5.199 2.390 1.00 0.00 C ATOM 337 CG HIS A 20 -9.194 4.602 3.763 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.292 4.563 4.605 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.177 3.977 4.439 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.918 3.930 5.729 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.635 3.555 5.683 1.00 0.00 N ATOM 0 H HIS A 20 -10.129 6.840 0.481 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.714 7.031 3.450 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.127 4.805 1.858 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.379 4.911 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.175 3.834 4.063 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.573 3.746 6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.106 3.065 6.405 1.00 0.00 H new ATOM 349 N ASN A 21 -7.147 7.366 3.254 1.00 0.00 N ATOM 350 CA ASN A 21 -5.769 7.912 3.091 1.00 0.00 C ATOM 351 C ASN A 21 -4.767 6.869 3.592 1.00 0.00 C ATOM 352 O ASN A 21 -4.302 6.920 4.713 1.00 0.00 O ATOM 353 CB ASN A 21 -5.615 9.208 3.894 1.00 0.00 C ATOM 354 CG ASN A 21 -6.607 9.220 5.061 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.668 9.804 4.964 1.00 0.00 O ATOM 356 ND2 ASN A 21 -6.305 8.596 6.167 1.00 0.00 N ATOM 0 H ASN A 21 -7.379 7.052 4.196 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.584 8.133 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.596 9.293 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.789 10.069 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.960 8.599 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.414 8.106 6.249 1.00 0.00 H new ATOM 363 N LEU A 22 -4.448 5.916 2.763 1.00 0.00 N ATOM 364 CA LEU A 22 -3.496 4.842 3.162 1.00 0.00 C ATOM 365 C LEU A 22 -2.092 5.419 3.356 1.00 0.00 C ATOM 366 O LEU A 22 -1.593 6.160 2.531 1.00 0.00 O ATOM 367 CB LEU A 22 -3.468 3.797 2.053 1.00 0.00 C ATOM 368 CG LEU A 22 -2.558 2.635 2.442 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.092 1.361 1.796 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.135 2.898 1.940 1.00 0.00 C ATOM 0 H LEU A 22 -4.811 5.834 1.813 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.817 4.395 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.477 3.430 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.115 4.250 1.126 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.539 2.530 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.452 0.521 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.106 1.172 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.100 1.478 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.490 2.065 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.145 2.999 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.756 3.817 2.387 1.00 0.00 H new ATOM 382 N GLU A 23 -1.448 5.074 4.441 1.00 0.00 N ATOM 383 CA GLU A 23 -0.074 5.595 4.694 1.00 0.00 C ATOM 384 C GLU A 23 0.891 4.429 4.937 1.00 0.00 C ATOM 385 O GLU A 23 0.506 3.372 5.397 1.00 0.00 O ATOM 386 CB GLU A 23 -0.094 6.504 5.925 1.00 0.00 C ATOM 387 CG GLU A 23 1.148 7.397 5.921 1.00 0.00 C ATOM 388 CD GLU A 23 0.726 8.860 6.060 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.089 9.142 6.924 1.00 0.00 O ATOM 390 OE2 GLU A 23 1.224 9.675 5.300 1.00 0.00 O ATOM 0 H GLU A 23 -1.816 4.454 5.162 1.00 0.00 H new ATOM 0 HA GLU A 23 0.260 6.161 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.995 7.117 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.119 5.903 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.811 7.119 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.708 7.255 4.996 1.00 0.00 H new ATOM 397 N VAL A 24 2.145 4.622 4.629 1.00 0.00 N ATOM 398 CA VAL A 24 3.158 3.545 4.833 1.00 0.00 C ATOM 399 C VAL A 24 4.548 4.188 4.870 1.00 0.00 C ATOM 400 O VAL A 24 4.727 5.309 4.438 1.00 0.00 O ATOM 401 CB VAL A 24 3.077 2.540 3.676 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.380 1.740 3.578 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.915 1.578 3.924 1.00 0.00 C ATOM 0 H VAL A 24 2.515 5.489 4.240 1.00 0.00 H new ATOM 0 HA VAL A 24 2.968 3.020 5.769 1.00 0.00 H new ATOM 0 HB VAL A 24 2.920 3.083 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.310 1.030 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.213 2.421 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.546 1.199 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.854 0.862 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.078 1.044 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.983 2.141 3.985 1.00 0.00 H new ATOM 413 N ASP A 25 5.536 3.499 5.380 1.00 0.00 N ATOM 414 CA ASP A 25 6.894 4.109 5.428 1.00 0.00 C ATOM 415 C ASP A 25 7.978 3.035 5.417 1.00 0.00 C ATOM 416 O ASP A 25 7.823 1.971 5.983 1.00 0.00 O ATOM 417 CB ASP A 25 7.029 4.955 6.696 1.00 0.00 C ATOM 418 CG ASP A 25 8.475 5.433 6.840 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.047 5.835 5.839 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.985 5.391 7.947 1.00 0.00 O ATOM 0 H ASP A 25 5.462 2.555 5.759 1.00 0.00 H new ATOM 0 HA ASP A 25 7.021 4.736 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.355 5.810 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.740 4.370 7.569 1.00 0.00 H new ATOM 425 N PHE A 26 9.088 3.317 4.783 1.00 0.00 N ATOM 426 CA PHE A 26 10.192 2.319 4.748 1.00 0.00 C ATOM 427 C PHE A 26 11.513 3.015 4.425 1.00 0.00 C ATOM 428 O PHE A 26 11.577 3.904 3.602 1.00 0.00 O ATOM 429 CB PHE A 26 9.892 1.234 3.707 1.00 0.00 C ATOM 430 CG PHE A 26 9.761 1.846 2.332 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.539 2.394 1.919 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.861 1.852 1.465 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.420 2.948 0.639 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.740 2.408 0.187 1.00 0.00 C ATOM 435 CZ PHE A 26 9.520 2.956 -0.226 1.00 0.00 C ATOM 0 H PHE A 26 9.274 4.191 4.291 1.00 0.00 H new ATOM 0 HA PHE A 26 10.274 1.847 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.689 0.491 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.971 0.714 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.691 2.389 2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.802 1.428 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.479 3.370 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.588 2.414 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.428 3.385 -1.213 1.00 0.00 H new ATOM 445 N ILE A 27 12.571 2.617 5.080 1.00 0.00 N ATOM 446 CA ILE A 27 13.894 3.265 4.823 1.00 0.00 C ATOM 447 C ILE A 27 14.637 2.500 3.742 1.00 0.00 C ATOM 448 O ILE A 27 15.566 1.762 4.008 1.00 0.00 O ATOM 449 CB ILE A 27 14.730 3.275 6.098 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.800 3.451 7.290 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.724 4.437 6.049 1.00 0.00 C ATOM 452 CD1 ILE A 27 13.214 4.859 7.267 1.00 0.00 C ATOM 0 H ILE A 27 12.579 1.875 5.779 1.00 0.00 H new ATOM 0 HA ILE A 27 13.725 4.291 4.496 1.00 0.00 H new ATOM 0 HB ILE A 27 15.280 2.338 6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.000 2.711 7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.346 3.287 8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.321 4.444 6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.380 4.319 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.180 5.378 5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.547 4.989 8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.021 5.590 7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.655 5.005 6.343 1.00 0.00 H new ATOM 464 N GLY A 28 14.226 2.675 2.528 1.00 0.00 N ATOM 465 CA GLY A 28 14.890 1.971 1.393 1.00 0.00 C ATOM 466 C GLY A 28 15.626 2.986 0.517 1.00 0.00 C ATOM 467 O GLY A 28 15.251 4.139 0.438 1.00 0.00 O ATOM 0 H GLY A 28 13.450 3.281 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.591 1.228 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.148 1.435 0.801 1.00 0.00 H new ATOM 471 N ALA A 29 16.671 2.567 -0.142 1.00 0.00 N ATOM 472 CA ALA A 29 17.428 3.510 -1.013 1.00 0.00 C ATOM 473 C ALA A 29 18.719 2.838 -1.496 1.00 0.00 C ATOM 474 O ALA A 29 19.066 1.768 -1.037 1.00 0.00 O ATOM 475 CB ALA A 29 17.762 4.772 -0.217 1.00 0.00 C ATOM 0 H ALA A 29 17.033 1.614 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 29 16.823 3.779 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.316 5.465 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.839 5.245 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.369 4.506 0.648 1.00 0.00 H new ATOM 481 N PRO A 30 19.383 3.481 -2.425 1.00 0.00 N ATOM 482 CA PRO A 30 18.953 4.780 -2.975 1.00 0.00 C ATOM 483 C PRO A 30 17.769 4.596 -3.922 1.00 0.00 C ATOM 484 O PRO A 30 17.664 3.607 -4.620 1.00 0.00 O ATOM 485 CB PRO A 30 20.181 5.281 -3.733 1.00 0.00 C ATOM 486 CG PRO A 30 21.023 4.031 -4.055 1.00 0.00 C ATOM 487 CD PRO A 30 20.626 2.958 -3.024 1.00 0.00 C ATOM 0 HA PRO A 30 18.621 5.477 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.890 5.801 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.749 5.989 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.829 3.684 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.088 4.254 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.464 1.990 -3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.403 2.819 -2.273 1.00 0.00 H new ATOM 495 N ASP A 31 16.891 5.557 -3.942 1.00 0.00 N ATOM 496 CA ASP A 31 15.691 5.494 -4.830 1.00 0.00 C ATOM 497 C ASP A 31 15.212 4.046 -4.985 1.00 0.00 C ATOM 498 O ASP A 31 15.501 3.403 -5.975 1.00 0.00 O ATOM 499 CB ASP A 31 16.045 6.063 -6.205 1.00 0.00 C ATOM 500 CG ASP A 31 14.844 6.826 -6.766 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.640 7.956 -6.354 1.00 0.00 O ATOM 502 OD2 ASP A 31 14.148 6.267 -7.597 1.00 0.00 O ATOM 0 H ASP A 31 16.952 6.400 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 31 14.891 6.082 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.906 6.727 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.326 5.257 -6.883 1.00 0.00 H new ATOM 507 N PRO A 32 14.488 3.578 -4.001 1.00 0.00 N ATOM 508 CA PRO A 32 13.945 2.208 -3.995 1.00 0.00 C ATOM 509 C PRO A 32 12.692 2.132 -4.870 1.00 0.00 C ATOM 510 O PRO A 32 12.382 3.044 -5.611 1.00 0.00 O ATOM 511 CB PRO A 32 13.587 1.973 -2.526 1.00 0.00 C ATOM 512 CG PRO A 32 13.397 3.373 -1.897 1.00 0.00 C ATOM 513 CD PRO A 32 14.146 4.369 -2.802 1.00 0.00 C ATOM 0 HA PRO A 32 14.643 1.468 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.677 1.380 -2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.377 1.422 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.339 3.628 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.793 3.398 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.521 5.226 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.039 4.758 -2.313 1.00 0.00 H new ATOM 521 N THR A 33 11.965 1.053 -4.782 1.00 0.00 N ATOM 522 CA THR A 33 10.726 0.920 -5.600 1.00 0.00 C ATOM 523 C THR A 33 9.628 0.277 -4.751 1.00 0.00 C ATOM 524 O THR A 33 9.722 -0.870 -4.363 1.00 0.00 O ATOM 525 CB THR A 33 11.004 0.041 -6.820 1.00 0.00 C ATOM 526 OG1 THR A 33 11.900 0.715 -7.693 1.00 0.00 O ATOM 527 CG2 THR A 33 9.691 -0.241 -7.549 1.00 0.00 C ATOM 0 H THR A 33 12.175 0.257 -4.179 1.00 0.00 H new ATOM 0 HA THR A 33 10.404 1.907 -5.933 1.00 0.00 H new ATOM 0 HB THR A 33 11.451 -0.900 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.080 0.152 -8.475 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.885 -0.868 -8.420 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.005 -0.757 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.245 0.700 -7.871 1.00 0.00 H new ATOM 535 N ALA A 34 8.587 1.006 -4.457 1.00 0.00 N ATOM 536 CA ALA A 34 7.488 0.433 -3.630 1.00 0.00 C ATOM 537 C ALA A 34 6.282 0.126 -4.518 1.00 0.00 C ATOM 538 O ALA A 34 5.647 1.015 -5.052 1.00 0.00 O ATOM 539 CB ALA A 34 7.088 1.435 -2.545 1.00 0.00 C ATOM 0 H ALA A 34 8.450 1.972 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 34 7.832 -0.489 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.284 1.015 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.948 1.646 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.747 2.359 -3.011 1.00 0.00 H new ATOM 545 N THR A 35 5.962 -1.129 -4.681 1.00 0.00 N ATOM 546 CA THR A 35 4.799 -1.499 -5.535 1.00 0.00 C ATOM 547 C THR A 35 3.543 -1.615 -4.668 1.00 0.00 C ATOM 548 O THR A 35 3.567 -2.187 -3.596 1.00 0.00 O ATOM 549 CB THR A 35 5.073 -2.843 -6.215 1.00 0.00 C ATOM 550 OG1 THR A 35 6.087 -2.676 -7.196 1.00 0.00 O ATOM 551 CG2 THR A 35 3.793 -3.351 -6.880 1.00 0.00 C ATOM 0 H THR A 35 6.457 -1.915 -4.259 1.00 0.00 H new ATOM 0 HA THR A 35 4.647 -0.730 -6.293 1.00 0.00 H new ATOM 0 HB THR A 35 5.403 -3.568 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.265 -3.536 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.989 -4.308 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.017 -3.478 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.459 -2.629 -7.626 1.00 0.00 H new ATOM 559 N TRP A 36 2.447 -1.075 -5.124 1.00 0.00 N ATOM 560 CA TRP A 36 1.190 -1.151 -4.330 1.00 0.00 C ATOM 561 C TRP A 36 0.266 -2.220 -4.939 1.00 0.00 C ATOM 562 O TRP A 36 -0.404 -2.009 -5.945 1.00 0.00 O ATOM 563 CB TRP A 36 0.508 0.218 -4.342 1.00 0.00 C ATOM 564 CG TRP A 36 0.981 1.022 -3.164 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.746 2.140 -3.230 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.738 0.785 -1.747 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.965 2.610 -1.951 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.367 1.811 -1.003 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.037 -0.204 -1.043 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.300 1.853 0.388 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.030 -0.165 0.358 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.597 0.861 1.071 1.00 0.00 C ATOM 0 H TRP A 36 2.368 -0.583 -6.014 1.00 0.00 H new ATOM 0 HA TRP A 36 1.412 -1.427 -3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.737 0.742 -5.270 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.575 0.098 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.123 2.590 -4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.505 3.448 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.454 -1.001 -1.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.788 2.647 0.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.570 -0.934 0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.537 0.885 2.149 1.00 0.00 H new ATOM 583 N THR A 37 0.235 -3.384 -4.349 1.00 0.00 N ATOM 584 CA THR A 37 -0.627 -4.454 -4.909 1.00 0.00 C ATOM 585 C THR A 37 -1.887 -4.629 -4.070 1.00 0.00 C ATOM 586 O THR A 37 -2.091 -3.974 -3.066 1.00 0.00 O ATOM 587 CB THR A 37 0.132 -5.782 -4.958 1.00 0.00 C ATOM 588 OG1 THR A 37 1.338 -5.667 -4.216 1.00 0.00 O ATOM 589 CG2 THR A 37 0.454 -6.143 -6.410 1.00 0.00 C ATOM 0 H THR A 37 0.764 -3.635 -3.514 1.00 0.00 H new ATOM 0 HA THR A 37 -0.909 -4.159 -5.920 1.00 0.00 H new ATOM 0 HB THR A 37 -0.488 -6.566 -4.524 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.823 -6.518 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.994 -7.089 -6.438 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.473 -6.237 -6.976 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.070 -5.360 -6.852 1.00 0.00 H new ATOM 597 N VAL A 38 -2.747 -5.505 -4.503 1.00 0.00 N ATOM 598 CA VAL A 38 -4.019 -5.727 -3.780 1.00 0.00 C ATOM 599 C VAL A 38 -4.260 -7.233 -3.586 1.00 0.00 C ATOM 600 O VAL A 38 -5.270 -7.776 -3.984 1.00 0.00 O ATOM 601 CB VAL A 38 -5.128 -5.095 -4.621 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.501 -6.012 -5.782 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.347 -4.830 -3.753 1.00 0.00 C ATOM 0 H VAL A 38 -2.618 -6.080 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.994 -5.275 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.767 -4.150 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.292 -5.549 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.627 -6.175 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.851 -6.968 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.134 -4.380 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.706 -5.770 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.077 -4.150 -2.945 1.00 0.00 H new ATOM 613 N GLY A 39 -3.336 -7.910 -2.964 1.00 0.00 N ATOM 614 CA GLY A 39 -3.506 -9.373 -2.738 1.00 0.00 C ATOM 615 C GLY A 39 -2.217 -10.100 -3.122 1.00 0.00 C ATOM 616 O GLY A 39 -1.640 -9.853 -4.162 1.00 0.00 O ATOM 0 H GLY A 39 -2.469 -7.513 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.747 -9.565 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.339 -9.749 -3.331 1.00 0.00 H new ATOM 620 N ASP A 40 -1.758 -10.995 -2.291 1.00 0.00 N ATOM 621 CA ASP A 40 -0.504 -11.734 -2.610 1.00 0.00 C ATOM 622 C ASP A 40 -0.718 -12.590 -3.861 1.00 0.00 C ATOM 623 O ASP A 40 0.217 -13.108 -4.437 1.00 0.00 O ATOM 624 CB ASP A 40 -0.129 -12.636 -1.433 1.00 0.00 C ATOM 625 CG ASP A 40 1.364 -12.490 -1.133 1.00 0.00 C ATOM 626 OD1 ASP A 40 1.900 -11.426 -1.398 1.00 0.00 O ATOM 627 OD2 ASP A 40 1.946 -13.443 -0.643 1.00 0.00 O ATOM 0 H ASP A 40 -2.197 -11.246 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 40 0.300 -11.021 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.715 -12.367 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.364 -13.674 -1.668 1.00 0.00 H new ATOM 632 N SER A 41 -1.944 -12.745 -4.283 1.00 0.00 N ATOM 633 CA SER A 41 -2.217 -13.567 -5.488 1.00 0.00 C ATOM 634 C SER A 41 -1.638 -12.880 -6.728 1.00 0.00 C ATOM 635 O SER A 41 -1.634 -13.433 -7.809 1.00 0.00 O ATOM 636 CB SER A 41 -3.728 -13.734 -5.659 1.00 0.00 C ATOM 637 OG SER A 41 -4.051 -15.118 -5.638 1.00 0.00 O ATOM 0 H SER A 41 -2.767 -12.335 -3.842 1.00 0.00 H new ATOM 0 HA SER A 41 -1.751 -14.545 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.256 -13.213 -4.860 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.051 -13.287 -6.599 1.00 0.00 H new ATOM 0 HG SER A 41 -5.019 -15.230 -5.746 1.00 0.00 H new ATOM 643 N GLY A 42 -1.157 -11.675 -6.583 1.00 0.00 N ATOM 644 CA GLY A 42 -0.589 -10.955 -7.757 1.00 0.00 C ATOM 645 C GLY A 42 -1.500 -9.778 -8.112 1.00 0.00 C ATOM 646 O GLY A 42 -1.178 -8.962 -8.952 1.00 0.00 O ATOM 0 H GLY A 42 -1.133 -11.159 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.415 -10.598 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.501 -11.632 -8.607 1.00 0.00 H new ATOM 650 N ALA A 43 -2.635 -9.685 -7.473 1.00 0.00 N ATOM 651 CA ALA A 43 -3.564 -8.567 -7.764 1.00 0.00 C ATOM 652 C ALA A 43 -2.854 -7.247 -7.472 1.00 0.00 C ATOM 653 O ALA A 43 -1.833 -7.222 -6.818 1.00 0.00 O ATOM 654 CB ALA A 43 -4.807 -8.693 -6.875 1.00 0.00 C ATOM 0 H ALA A 43 -2.956 -10.340 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.868 -8.597 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.491 -7.872 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.305 -9.641 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.510 -8.656 -5.827 1.00 0.00 H new ATOM 660 N ALA A 44 -3.377 -6.151 -7.946 1.00 0.00 N ATOM 661 CA ALA A 44 -2.713 -4.845 -7.678 1.00 0.00 C ATOM 662 C ALA A 44 -3.775 -3.762 -7.499 1.00 0.00 C ATOM 663 O ALA A 44 -4.935 -3.977 -7.788 1.00 0.00 O ATOM 664 CB ALA A 44 -1.801 -4.482 -8.852 1.00 0.00 C ATOM 0 H ALA A 44 -4.230 -6.102 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.116 -4.921 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.316 -3.526 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.042 -5.255 -8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.394 -4.406 -9.763 1.00 0.00 H new ATOM 670 N LEU A 45 -3.406 -2.591 -7.038 1.00 0.00 N ATOM 671 CA LEU A 45 -4.455 -1.531 -6.882 1.00 0.00 C ATOM 672 C LEU A 45 -3.918 -0.174 -7.337 1.00 0.00 C ATOM 673 O LEU A 45 -2.749 0.127 -7.200 1.00 0.00 O ATOM 674 CB LEU A 45 -4.967 -1.463 -5.429 1.00 0.00 C ATOM 675 CG LEU A 45 -3.920 -0.877 -4.480 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.580 -1.524 -4.738 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.816 0.637 -4.680 1.00 0.00 C ATOM 0 H LEU A 45 -2.458 -2.327 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.300 -1.795 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.871 -0.855 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.241 -2.463 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.222 -1.075 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.837 -1.104 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.657 -2.599 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.278 -1.337 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.068 1.043 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.524 0.849 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.782 1.098 -4.475 1.00 0.00 H new ATOM 689 N ALA A 46 -4.774 0.642 -7.894 1.00 0.00 N ATOM 690 CA ALA A 46 -4.333 1.979 -8.380 1.00 0.00 C ATOM 691 C ALA A 46 -5.444 2.624 -9.222 1.00 0.00 C ATOM 692 O ALA A 46 -5.887 3.717 -8.925 1.00 0.00 O ATOM 693 CB ALA A 46 -3.075 1.818 -9.236 1.00 0.00 C ATOM 0 H ALA A 46 -5.764 0.437 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.117 2.618 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.750 2.795 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.283 1.369 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.295 1.175 -10.088 1.00 0.00 H new ATOM 699 N PRO A 47 -5.863 1.931 -10.253 1.00 0.00 N ATOM 700 CA PRO A 47 -6.915 2.428 -11.161 1.00 0.00 C ATOM 701 C PRO A 47 -8.274 2.427 -10.462 1.00 0.00 C ATOM 702 O PRO A 47 -9.259 2.901 -10.992 1.00 0.00 O ATOM 703 CB PRO A 47 -6.870 1.453 -12.341 1.00 0.00 C ATOM 704 CG PRO A 47 -6.195 0.166 -11.817 1.00 0.00 C ATOM 705 CD PRO A 47 -5.353 0.586 -10.596 1.00 0.00 C ATOM 0 HA PRO A 47 -6.759 3.458 -11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.874 1.243 -12.710 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.307 1.876 -13.173 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.941 -0.578 -11.538 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.567 -0.285 -12.586 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.477 -0.111 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.290 0.611 -10.834 1.00 0.00 H new ATOM 713 N GLU A 48 -8.325 1.928 -9.261 1.00 0.00 N ATOM 714 CA GLU A 48 -9.605 1.926 -8.504 1.00 0.00 C ATOM 715 C GLU A 48 -9.445 2.869 -7.314 1.00 0.00 C ATOM 716 O GLU A 48 -10.145 2.775 -6.325 1.00 0.00 O ATOM 717 CB GLU A 48 -9.910 0.512 -8.006 1.00 0.00 C ATOM 718 CG GLU A 48 -8.770 0.030 -7.108 1.00 0.00 C ATOM 719 CD GLU A 48 -9.202 -1.239 -6.371 1.00 0.00 C ATOM 720 OE1 GLU A 48 -9.964 -1.121 -5.426 1.00 0.00 O ATOM 721 OE2 GLU A 48 -8.764 -2.307 -6.765 1.00 0.00 O ATOM 0 H GLU A 48 -7.531 1.519 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.426 2.253 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.850 0.504 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.032 -0.165 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.881 -0.169 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.504 0.807 -6.391 1.00 0.00 H new ATOM 728 N LEU A 49 -8.508 3.775 -7.409 1.00 0.00 N ATOM 729 CA LEU A 49 -8.265 4.729 -6.300 1.00 0.00 C ATOM 730 C LEU A 49 -7.045 5.579 -6.653 1.00 0.00 C ATOM 731 O LEU A 49 -6.606 5.605 -7.785 1.00 0.00 O ATOM 732 CB LEU A 49 -8.013 3.949 -5.010 1.00 0.00 C ATOM 733 CG LEU A 49 -7.046 2.794 -5.281 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.630 3.211 -4.887 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.466 1.581 -4.450 1.00 0.00 C ATOM 0 H LEU A 49 -7.897 3.892 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.130 5.376 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.599 4.611 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.954 3.563 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.068 2.540 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.941 2.388 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.330 4.080 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.607 3.463 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.780 0.755 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.440 1.839 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.478 1.283 -4.726 1.00 0.00 H new ATOM 747 N LEU A 50 -6.490 6.272 -5.705 1.00 0.00 N ATOM 748 CA LEU A 50 -5.294 7.108 -6.010 1.00 0.00 C ATOM 749 C LEU A 50 -4.082 6.489 -5.314 1.00 0.00 C ATOM 750 O LEU A 50 -4.226 5.657 -4.443 1.00 0.00 O ATOM 751 CB LEU A 50 -5.518 8.531 -5.497 1.00 0.00 C ATOM 752 CG LEU A 50 -5.997 9.432 -6.632 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.308 10.822 -6.070 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.900 9.541 -7.691 1.00 0.00 C ATOM 0 H LEU A 50 -6.807 6.299 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.125 7.146 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.254 8.524 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.592 8.924 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.895 9.011 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.651 11.472 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.087 10.742 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.408 11.243 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.240 10.184 -8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.002 9.967 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.674 8.550 -8.084 1.00 0.00 H new ATOM 766 N VAL A 51 -2.889 6.866 -5.685 1.00 0.00 N ATOM 767 CA VAL A 51 -1.702 6.257 -5.020 1.00 0.00 C ATOM 768 C VAL A 51 -0.493 7.192 -5.094 1.00 0.00 C ATOM 769 O VAL A 51 -0.192 7.765 -6.122 1.00 0.00 O ATOM 770 CB VAL A 51 -1.360 4.938 -5.712 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.152 4.300 -5.024 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.556 3.992 -5.616 1.00 0.00 C ATOM 0 H VAL A 51 -2.686 7.557 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.943 6.084 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.125 5.126 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.093 3.359 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.701 4.975 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.388 4.110 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.315 3.050 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.788 3.804 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.419 4.446 -6.103 1.00 0.00 H new ATOM 782 N ASP A 52 0.214 7.325 -4.005 1.00 0.00 N ATOM 783 CA ASP A 52 1.426 8.192 -3.984 1.00 0.00 C ATOM 784 C ASP A 52 2.537 7.430 -3.259 1.00 0.00 C ATOM 785 O ASP A 52 2.274 6.537 -2.478 1.00 0.00 O ATOM 786 CB ASP A 52 1.129 9.503 -3.245 1.00 0.00 C ATOM 787 CG ASP A 52 -0.014 9.294 -2.249 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.123 9.044 -2.693 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.239 9.387 -1.059 1.00 0.00 O ATOM 0 H ASP A 52 0.001 6.865 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 52 1.730 8.436 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.021 9.845 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.862 10.281 -3.960 1.00 0.00 H new ATOM 794 N ALA A 53 3.776 7.743 -3.506 1.00 0.00 N ATOM 795 CA ALA A 53 4.846 6.982 -2.809 1.00 0.00 C ATOM 796 C ALA A 53 6.155 7.776 -2.776 1.00 0.00 C ATOM 797 O ALA A 53 6.480 8.511 -3.688 1.00 0.00 O ATOM 798 CB ALA A 53 5.057 5.654 -3.533 1.00 0.00 C ATOM 0 H ALA A 53 4.090 8.474 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 53 4.540 6.802 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.840 5.086 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.129 5.082 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.352 5.845 -4.565 1.00 0.00 H new ATOM 804 N LYS A 54 6.904 7.622 -1.716 1.00 0.00 N ATOM 805 CA LYS A 54 8.201 8.352 -1.583 1.00 0.00 C ATOM 806 C LYS A 54 9.359 7.348 -1.480 1.00 0.00 C ATOM 807 O LYS A 54 9.177 6.199 -1.130 1.00 0.00 O ATOM 808 CB LYS A 54 8.170 9.222 -0.325 1.00 0.00 C ATOM 809 CG LYS A 54 8.310 10.694 -0.719 1.00 0.00 C ATOM 810 CD LYS A 54 6.932 11.360 -0.712 1.00 0.00 C ATOM 811 CE LYS A 54 7.100 12.880 -0.722 1.00 0.00 C ATOM 812 NZ LYS A 54 7.084 13.390 0.678 1.00 0.00 N ATOM 0 H LYS A 54 6.671 7.016 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 54 8.348 8.981 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.236 9.066 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.979 8.936 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.976 11.205 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.759 10.775 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.358 11.041 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.372 11.051 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.038 13.150 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.298 13.342 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.198 14.424 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.179 13.144 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.864 12.959 1.214 1.00 0.00 H new ATOM 826 N SER A 55 10.549 7.776 -1.795 1.00 0.00 N ATOM 827 CA SER A 55 11.726 6.858 -1.739 1.00 0.00 C ATOM 828 C SER A 55 11.829 6.157 -0.377 1.00 0.00 C ATOM 829 O SER A 55 12.034 4.963 -0.305 1.00 0.00 O ATOM 830 CB SER A 55 13.002 7.663 -1.986 1.00 0.00 C ATOM 831 OG SER A 55 12.705 8.765 -2.834 1.00 0.00 O ATOM 0 H SER A 55 10.761 8.729 -2.091 1.00 0.00 H new ATOM 0 HA SER A 55 11.599 6.094 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.411 8.017 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.762 7.030 -2.445 1.00 0.00 H new ATOM 0 HG SER A 55 13.521 9.284 -2.993 1.00 0.00 H new ATOM 837 N SER A 56 11.719 6.879 0.705 1.00 0.00 N ATOM 838 CA SER A 56 11.848 6.224 2.043 1.00 0.00 C ATOM 839 C SER A 56 10.471 6.009 2.676 1.00 0.00 C ATOM 840 O SER A 56 10.344 5.887 3.879 1.00 0.00 O ATOM 841 CB SER A 56 12.690 7.113 2.959 1.00 0.00 C ATOM 842 OG SER A 56 12.854 8.389 2.354 1.00 0.00 O ATOM 0 H SER A 56 11.547 7.884 0.724 1.00 0.00 H new ATOM 0 HA SER A 56 12.328 5.254 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.205 7.218 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.663 6.654 3.136 1.00 0.00 H new ATOM 0 HG SER A 56 13.392 8.962 2.939 1.00 0.00 H new ATOM 848 N THR A 57 9.438 5.956 1.890 1.00 0.00 N ATOM 849 CA THR A 57 8.085 5.752 2.478 1.00 0.00 C ATOM 850 C THR A 57 7.065 5.702 1.353 1.00 0.00 C ATOM 851 O THR A 57 7.416 5.626 0.199 1.00 0.00 O ATOM 852 CB THR A 57 7.764 6.938 3.397 1.00 0.00 C ATOM 853 OG1 THR A 57 6.607 6.662 4.171 1.00 0.00 O ATOM 854 CG2 THR A 57 7.513 8.178 2.542 1.00 0.00 C ATOM 0 H THR A 57 9.467 6.044 0.874 1.00 0.00 H new ATOM 0 HA THR A 57 8.055 4.822 3.046 1.00 0.00 H new ATOM 0 HB THR A 57 8.606 7.108 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.413 7.426 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.284 9.025 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.403 8.400 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.672 7.995 1.873 1.00 0.00 H new ATOM 862 N THR A 58 5.807 5.764 1.672 1.00 0.00 N ATOM 863 CA THR A 58 4.785 5.754 0.604 1.00 0.00 C ATOM 864 C THR A 58 3.394 5.797 1.223 1.00 0.00 C ATOM 865 O THR A 58 3.185 5.379 2.341 1.00 0.00 O ATOM 866 CB THR A 58 4.920 4.491 -0.247 1.00 0.00 C ATOM 867 OG1 THR A 58 4.127 4.629 -1.414 1.00 0.00 O ATOM 868 CG2 THR A 58 4.438 3.283 0.550 1.00 0.00 C ATOM 0 H THR A 58 5.446 5.821 2.624 1.00 0.00 H new ATOM 0 HA THR A 58 4.933 6.629 -0.029 1.00 0.00 H new ATOM 0 HB THR A 58 5.964 4.348 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.285 3.866 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.535 2.384 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.041 3.178 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.393 3.423 0.827 1.00 0.00 H new ATOM 876 N SER A 59 2.440 6.284 0.490 1.00 0.00 N ATOM 877 CA SER A 59 1.050 6.344 1.007 1.00 0.00 C ATOM 878 C SER A 59 0.127 6.406 -0.189 1.00 0.00 C ATOM 879 O SER A 59 0.446 7.000 -1.196 1.00 0.00 O ATOM 880 CB SER A 59 0.862 7.582 1.884 1.00 0.00 C ATOM 881 OG SER A 59 1.331 8.728 1.186 1.00 0.00 O ATOM 0 H SER A 59 2.564 6.647 -0.455 1.00 0.00 H new ATOM 0 HA SER A 59 0.831 5.468 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.190 7.704 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.407 7.464 2.821 1.00 0.00 H new ATOM 0 HG SER A 59 0.623 9.066 0.599 1.00 0.00 H new ATOM 887 N ILE A 60 -0.998 5.773 -0.124 1.00 0.00 N ATOM 888 CA ILE A 60 -1.868 5.794 -1.312 1.00 0.00 C ATOM 889 C ILE A 60 -3.283 6.233 -0.944 1.00 0.00 C ATOM 890 O ILE A 60 -3.676 6.244 0.205 1.00 0.00 O ATOM 891 CB ILE A 60 -1.802 4.414 -1.975 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.660 3.398 -1.221 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.344 3.934 -1.939 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.546 2.035 -1.911 1.00 0.00 C ATOM 0 H ILE A 60 -1.347 5.253 0.681 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.523 6.532 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.173 4.497 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.331 3.323 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.700 3.724 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.273 2.952 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.285 4.640 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.008 3.869 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.156 1.305 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.896 2.118 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.505 1.711 -1.906 1.00 0.00 H new ATOM 906 N PHE A 61 -4.001 6.701 -1.924 1.00 0.00 N ATOM 907 CA PHE A 61 -5.352 7.274 -1.682 1.00 0.00 C ATOM 908 C PHE A 61 -6.502 6.347 -2.078 1.00 0.00 C ATOM 909 O PHE A 61 -6.361 5.458 -2.890 1.00 0.00 O ATOM 910 CB PHE A 61 -5.438 8.516 -2.543 1.00 0.00 C ATOM 911 CG PHE A 61 -5.122 9.721 -1.726 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.958 9.752 -0.962 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.986 10.810 -1.747 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.652 10.880 -0.211 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.693 11.942 -0.998 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.520 11.985 -0.224 1.00 0.00 C ATOM 0 H PHE A 61 -3.703 6.711 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.459 7.458 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.742 8.439 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.438 8.606 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.294 8.900 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.884 10.776 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.749 10.908 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.365 12.788 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.287 12.864 0.358 1.00 0.00 H new ATOM 926 N PHE A 62 -7.662 6.614 -1.520 1.00 0.00 N ATOM 927 CA PHE A 62 -8.888 5.825 -1.844 1.00 0.00 C ATOM 928 C PHE A 62 -10.102 6.766 -1.877 1.00 0.00 C ATOM 929 O PHE A 62 -11.127 6.432 -1.321 1.00 0.00 O ATOM 930 CB PHE A 62 -9.189 4.812 -0.742 1.00 0.00 C ATOM 931 CG PHE A 62 -8.145 3.733 -0.639 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.826 4.049 -0.299 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.517 2.400 -0.846 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.879 3.028 -0.167 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.569 1.382 -0.719 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.251 1.696 -0.378 1.00 0.00 C ATOM 0 H PHE A 62 -7.809 7.361 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.715 5.328 -2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.262 5.332 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.160 4.354 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.539 5.078 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.537 2.158 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.860 3.268 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.854 0.354 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.518 0.909 -0.277 1.00 0.00 H new ATOM 946 N PRO A 63 -9.972 7.903 -2.514 1.00 0.00 N ATOM 947 CA PRO A 63 -11.075 8.881 -2.607 1.00 0.00 C ATOM 948 C PRO A 63 -12.252 8.272 -3.362 1.00 0.00 C ATOM 949 O PRO A 63 -13.351 8.789 -3.355 1.00 0.00 O ATOM 950 CB PRO A 63 -10.447 10.066 -3.349 1.00 0.00 C ATOM 951 CG PRO A 63 -9.221 9.491 -4.082 1.00 0.00 C ATOM 952 CD PRO A 63 -8.749 8.313 -3.218 1.00 0.00 C ATOM 0 HA PRO A 63 -11.480 9.185 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.153 10.507 -4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.155 10.854 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.483 9.161 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.437 10.241 -4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.344 7.504 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.965 8.612 -2.522 1.00 0.00 H new ATOM 960 N SER A 64 -12.026 7.159 -3.990 1.00 0.00 N ATOM 961 CA SER A 64 -13.120 6.476 -4.729 1.00 0.00 C ATOM 962 C SER A 64 -13.208 5.021 -4.256 1.00 0.00 C ATOM 963 O SER A 64 -13.281 4.109 -5.055 1.00 0.00 O ATOM 964 CB SER A 64 -12.821 6.506 -6.229 1.00 0.00 C ATOM 965 OG SER A 64 -12.086 7.683 -6.538 1.00 0.00 O ATOM 0 H SER A 64 -11.122 6.687 -4.025 1.00 0.00 H new ATOM 0 HA SER A 64 -14.065 6.985 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.251 5.622 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.751 6.484 -6.797 1.00 0.00 H new ATOM 0 HG SER A 64 -11.891 7.704 -7.498 1.00 0.00 H new ATOM 971 N ALA A 65 -13.196 4.786 -2.964 1.00 0.00 N ATOM 972 CA ALA A 65 -13.274 3.380 -2.477 1.00 0.00 C ATOM 973 C ALA A 65 -14.731 2.939 -2.401 1.00 0.00 C ATOM 974 O ALA A 65 -15.608 3.703 -2.034 1.00 0.00 O ATOM 975 CB ALA A 65 -12.646 3.265 -1.092 1.00 0.00 C ATOM 0 H ALA A 65 -13.136 5.500 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.731 2.741 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.710 2.233 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.600 3.567 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.179 3.913 -0.396 1.00 0.00 H new ATOM 981 N LYS A 66 -14.984 1.704 -2.738 1.00 0.00 N ATOM 982 CA LYS A 66 -16.375 1.173 -2.697 1.00 0.00 C ATOM 983 C LYS A 66 -16.348 -0.302 -2.290 1.00 0.00 C ATOM 984 O LYS A 66 -15.312 -0.847 -1.964 1.00 0.00 O ATOM 985 CB LYS A 66 -17.014 1.304 -4.082 1.00 0.00 C ATOM 986 CG LYS A 66 -16.692 2.680 -4.670 1.00 0.00 C ATOM 987 CD LYS A 66 -17.051 2.696 -6.157 1.00 0.00 C ATOM 988 CE LYS A 66 -18.536 3.022 -6.322 1.00 0.00 C ATOM 989 NZ LYS A 66 -18.875 3.074 -7.772 1.00 0.00 N ATOM 0 H LYS A 66 -14.278 1.034 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.957 1.741 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.641 0.520 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.094 1.172 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.251 3.453 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.634 2.905 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.445 3.436 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.829 1.728 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.143 2.267 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.764 3.978 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.885 3.296 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.305 3.810 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.672 2.152 -8.209 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.480 -0.951 -2.304 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.520 -2.390 -1.915 1.00 0.00 C ATOM 1005 C ARG A 67 -16.464 -3.163 -2.708 1.00 0.00 C ATOM 1006 O ARG A 67 -15.780 -4.015 -2.180 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.907 -2.962 -2.219 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.301 -3.956 -1.125 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.695 -4.513 -1.418 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.617 -4.157 -0.302 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.446 -5.048 0.168 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -23.560 -5.300 -0.462 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -22.161 -5.686 1.271 1.00 0.00 N ATOM 0 H ARG A 67 -18.379 -0.548 -2.568 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.314 -2.484 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.640 -2.157 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.903 -3.457 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.576 -4.768 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.291 -3.465 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.070 -4.107 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.649 -5.596 -1.534 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.600 -3.217 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.783 -4.800 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -24.208 -5.997 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.291 -5.488 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.809 -6.383 1.639 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.332 -2.876 -3.974 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.328 -3.594 -4.800 1.00 0.00 C ATOM 1029 C ALA A 68 -13.920 -3.295 -4.280 1.00 0.00 C ATOM 1030 O ALA A 68 -13.034 -4.123 -4.347 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.442 -3.133 -6.254 1.00 0.00 C ATOM 0 H ALA A 68 -16.879 -2.173 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.513 -4.666 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.706 -3.659 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.443 -3.351 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.259 -2.060 -6.311 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.705 -2.114 -3.767 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.353 -1.758 -3.249 1.00 0.00 C ATOM 1039 C ASP A 69 -11.996 -2.664 -2.069 1.00 0.00 C ATOM 1040 O ASP A 69 -10.867 -2.700 -1.621 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.352 -0.299 -2.788 1.00 0.00 C ATOM 1042 CG ASP A 69 -10.960 0.074 -2.277 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.603 -0.383 -1.203 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.274 0.809 -2.968 1.00 0.00 O ATOM 0 H ASP A 69 -14.408 -1.380 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.617 -1.892 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.635 0.354 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.091 -0.155 -2.000 1.00 0.00 H new ATOM 1049 N SER A 70 -12.947 -3.397 -1.560 1.00 0.00 N ATOM 1050 CA SER A 70 -12.657 -4.299 -0.409 1.00 0.00 C ATOM 1051 C SER A 70 -11.783 -5.462 -0.880 1.00 0.00 C ATOM 1052 O SER A 70 -12.236 -6.351 -1.574 1.00 0.00 O ATOM 1053 CB SER A 70 -13.969 -4.844 0.157 1.00 0.00 C ATOM 1054 OG SER A 70 -13.729 -6.106 0.765 1.00 0.00 O ATOM 0 H SER A 70 -13.912 -3.411 -1.891 1.00 0.00 H new ATOM 0 HA SER A 70 -12.132 -3.740 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.380 -4.148 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.708 -4.945 -0.638 1.00 0.00 H new ATOM 0 HG SER A 70 -14.568 -6.458 1.130 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.532 -5.465 -0.508 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.630 -6.573 -0.935 1.00 0.00 C ATOM 1062 C GLY A 71 -8.385 -6.592 -0.046 1.00 0.00 C ATOM 1063 O GLY A 71 -8.348 -5.977 1.004 1.00 0.00 O ATOM 0 H GLY A 71 -10.096 -4.749 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.152 -7.527 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.343 -6.440 -1.978 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.360 -7.286 -0.461 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.120 -7.337 0.359 1.00 0.00 C ATOM 1069 C ASN A 72 -5.113 -6.346 -0.216 1.00 0.00 C ATOM 1070 O ASN A 72 -4.338 -6.672 -1.091 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.534 -8.749 0.316 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.270 -9.637 1.322 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.025 -9.151 2.140 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.081 -10.928 1.294 1.00 0.00 N ATOM 0 H ASN A 72 -7.329 -7.818 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.347 -7.078 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.628 -9.163 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.470 -8.720 0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.567 -11.529 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.447 -11.336 0.607 1.00 0.00 H new ATOM 1081 N TYR A 73 -5.114 -5.137 0.269 1.00 0.00 N ATOM 1082 CA TYR A 73 -4.155 -4.134 -0.257 1.00 0.00 C ATOM 1083 C TYR A 73 -2.763 -4.461 0.268 1.00 0.00 C ATOM 1084 O TYR A 73 -2.428 -4.170 1.397 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.578 -2.738 0.195 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.630 -2.218 -0.755 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.846 -2.900 -0.893 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.386 -1.065 -1.506 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.817 -2.425 -1.783 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.356 -0.591 -2.398 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.572 -1.271 -2.536 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.528 -0.804 -3.414 1.00 0.00 O ATOM 0 H TYR A 73 -5.736 -4.803 1.005 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.145 -4.160 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.971 -2.773 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.718 -2.069 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.034 -3.792 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.449 -0.539 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.755 -2.949 -1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.166 0.299 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.786 0.107 -3.163 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.952 -5.076 -0.543 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.584 -5.434 -0.088 1.00 0.00 C ATOM 1104 C LYS A 74 0.421 -4.484 -0.727 1.00 0.00 C ATOM 1105 O LYS A 74 0.103 -3.758 -1.646 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.266 -6.871 -0.506 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.287 -7.779 0.725 1.00 0.00 C ATOM 1108 CD LYS A 74 0.105 -9.201 0.318 1.00 0.00 C ATOM 1109 CE LYS A 74 1.506 -9.516 0.845 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.459 -10.753 1.675 1.00 0.00 N ATOM 0 H LYS A 74 -2.177 -5.346 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.526 -5.353 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.995 -7.217 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.712 -6.913 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.403 -7.402 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.281 -7.779 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.614 -9.916 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.083 -9.299 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.197 -9.650 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.879 -8.681 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.397 -11.203 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.187 -10.508 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.761 -11.413 1.276 1.00 0.00 H new ATOM 1124 N LEU A 75 1.628 -4.479 -0.247 1.00 0.00 N ATOM 1125 CA LEU A 75 2.650 -3.573 -0.829 1.00 0.00 C ATOM 1126 C LEU A 75 4.025 -4.231 -0.689 1.00 0.00 C ATOM 1127 O LEU A 75 4.302 -4.907 0.278 1.00 0.00 O ATOM 1128 CB LEU A 75 2.610 -2.235 -0.081 1.00 0.00 C ATOM 1129 CG LEU A 75 3.889 -1.439 -0.343 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.548 -0.125 -1.040 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.571 -1.139 0.991 1.00 0.00 C ATOM 0 H LEU A 75 1.952 -5.063 0.524 1.00 0.00 H new ATOM 0 HA LEU A 75 2.450 -3.391 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.743 -1.658 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.497 -2.412 0.989 1.00 0.00 H new ATOM 0 HG LEU A 75 4.554 -2.021 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.463 0.438 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.054 -0.334 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.883 0.461 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.484 -0.571 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.898 -0.556 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.817 -2.075 1.492 1.00 0.00 H new ATOM 1143 N LYS A 76 4.886 -4.050 -1.651 1.00 0.00 N ATOM 1144 CA LYS A 76 6.234 -4.675 -1.563 1.00 0.00 C ATOM 1145 C LYS A 76 7.281 -3.705 -2.108 1.00 0.00 C ATOM 1146 O LYS A 76 7.336 -3.438 -3.292 1.00 0.00 O ATOM 1147 CB LYS A 76 6.256 -5.964 -2.388 1.00 0.00 C ATOM 1148 CG LYS A 76 6.787 -7.113 -1.527 1.00 0.00 C ATOM 1149 CD LYS A 76 5.908 -8.349 -1.726 1.00 0.00 C ATOM 1150 CE LYS A 76 6.698 -9.422 -2.477 1.00 0.00 C ATOM 1151 NZ LYS A 76 6.085 -10.757 -2.226 1.00 0.00 N ATOM 0 H LYS A 76 4.715 -3.498 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 76 6.459 -4.907 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.253 -6.197 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.886 -5.834 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.818 -7.339 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.791 -6.822 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.579 -8.734 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.011 -8.084 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.700 -9.206 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.738 -9.420 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.622 -11.487 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.105 -10.962 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.100 -10.755 -2.560 1.00 0.00 H new ATOM 1165 N VAL A 77 8.115 -3.176 -1.256 1.00 0.00 N ATOM 1166 CA VAL A 77 9.155 -2.227 -1.735 1.00 0.00 C ATOM 1167 C VAL A 77 10.502 -2.952 -1.796 1.00 0.00 C ATOM 1168 O VAL A 77 10.729 -3.912 -1.089 1.00 0.00 O ATOM 1169 CB VAL A 77 9.221 -1.017 -0.789 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.811 -0.678 -0.300 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.100 -1.328 0.425 1.00 0.00 C ATOM 0 H VAL A 77 8.121 -3.360 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 77 8.907 -1.866 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 77 9.648 -0.175 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.855 0.180 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.178 -0.438 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.395 -1.534 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.134 -0.459 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.684 -2.177 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.109 -1.570 0.091 1.00 0.00 H new ATOM 1181 N LYS A 78 11.391 -2.518 -2.648 1.00 0.00 N ATOM 1182 CA LYS A 78 12.708 -3.207 -2.755 1.00 0.00 C ATOM 1183 C LYS A 78 13.726 -2.280 -3.427 1.00 0.00 C ATOM 1184 O LYS A 78 13.373 -1.388 -4.173 1.00 0.00 O ATOM 1185 CB LYS A 78 12.534 -4.481 -3.590 1.00 0.00 C ATOM 1186 CG LYS A 78 13.901 -5.002 -4.042 1.00 0.00 C ATOM 1187 CD LYS A 78 14.316 -4.295 -5.333 1.00 0.00 C ATOM 1188 CE LYS A 78 14.123 -5.243 -6.518 1.00 0.00 C ATOM 1189 NZ LYS A 78 15.448 -5.555 -7.126 1.00 0.00 N ATOM 0 H LYS A 78 11.263 -1.721 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 78 13.071 -3.465 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.021 -5.243 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.909 -4.274 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.644 -4.827 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.856 -6.079 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.720 -3.393 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.358 -3.982 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.637 -6.161 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.469 -4.786 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.317 -6.199 -7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.895 -4.675 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.058 -6.008 -6.416 1.00 0.00 H new ATOM 1203 N ASN A 79 14.988 -2.488 -3.163 1.00 0.00 N ATOM 1204 CA ASN A 79 16.036 -1.626 -3.779 1.00 0.00 C ATOM 1205 C ASN A 79 17.337 -2.419 -3.910 1.00 0.00 C ATOM 1206 O ASN A 79 17.671 -3.218 -3.061 1.00 0.00 O ATOM 1207 CB ASN A 79 16.282 -0.411 -2.888 1.00 0.00 C ATOM 1208 CG ASN A 79 16.335 -0.856 -1.427 1.00 0.00 C ATOM 1209 OD1 ASN A 79 15.428 -0.590 -0.664 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.368 -1.530 -1.004 1.00 0.00 N ATOM 0 H ASN A 79 15.339 -3.220 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 79 15.702 -1.300 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.218 0.074 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.488 0.323 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.415 -1.834 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.129 -1.753 -1.646 1.00 0.00 H new ATOM 1217 N GLU A 80 18.077 -2.193 -4.962 1.00 0.00 N ATOM 1218 CA GLU A 80 19.367 -2.920 -5.153 1.00 0.00 C ATOM 1219 C GLU A 80 19.222 -4.379 -4.708 1.00 0.00 C ATOM 1220 O GLU A 80 18.807 -5.229 -5.470 1.00 0.00 O ATOM 1221 CB GLU A 80 20.458 -2.237 -4.327 1.00 0.00 C ATOM 1222 CG GLU A 80 21.273 -1.307 -5.227 1.00 0.00 C ATOM 1223 CD GLU A 80 20.325 -0.399 -6.013 1.00 0.00 C ATOM 1224 OE1 GLU A 80 19.337 0.030 -5.441 1.00 0.00 O ATOM 1225 OE2 GLU A 80 20.604 -0.147 -7.174 1.00 0.00 O ATOM 0 H GLU A 80 17.842 -1.532 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 80 19.637 -2.899 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.010 -1.670 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.109 -2.985 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.954 -0.706 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.886 -1.892 -5.913 1.00 0.00 H new ATOM 1232 N LEU A 81 19.567 -4.679 -3.483 1.00 0.00 N ATOM 1233 CA LEU A 81 19.451 -6.086 -3.004 1.00 0.00 C ATOM 1234 C LEU A 81 18.604 -6.139 -1.731 1.00 0.00 C ATOM 1235 O LEU A 81 18.206 -7.197 -1.284 1.00 0.00 O ATOM 1236 CB LEU A 81 20.846 -6.644 -2.716 1.00 0.00 C ATOM 1237 CG LEU A 81 21.672 -5.595 -1.971 1.00 0.00 C ATOM 1238 CD1 LEU A 81 21.111 -5.413 -0.559 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.127 -6.061 -1.883 1.00 0.00 C ATOM 0 H LEU A 81 19.922 -4.013 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 81 18.970 -6.687 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.769 -7.553 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.340 -6.916 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 81 21.624 -4.647 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.699 -4.665 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.074 -5.083 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.159 -6.361 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.717 -5.314 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.174 -7.009 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.528 -6.193 -2.888 1.00 0.00 H new ATOM 1251 N GLY A 82 18.315 -5.010 -1.148 1.00 0.00 N ATOM 1252 CA GLY A 82 17.483 -5.005 0.090 1.00 0.00 C ATOM 1253 C GLY A 82 16.009 -5.078 -0.307 1.00 0.00 C ATOM 1254 O GLY A 82 15.664 -4.881 -1.453 1.00 0.00 O ATOM 0 H GLY A 82 18.617 -4.092 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.745 -5.852 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.674 -4.101 0.669 1.00 0.00 H new ATOM 1258 N GLU A 83 15.132 -5.360 0.618 1.00 0.00 N ATOM 1259 CA GLU A 83 13.691 -5.436 0.251 1.00 0.00 C ATOM 1260 C GLU A 83 12.821 -5.584 1.501 1.00 0.00 C ATOM 1261 O GLU A 83 13.139 -6.314 2.418 1.00 0.00 O ATOM 1262 CB GLU A 83 13.460 -6.637 -0.667 1.00 0.00 C ATOM 1263 CG GLU A 83 13.956 -7.910 0.021 1.00 0.00 C ATOM 1264 CD GLU A 83 12.851 -8.967 -0.001 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.056 -8.983 0.924 1.00 0.00 O ATOM 1266 OE2 GLU A 83 12.818 -9.742 -0.943 1.00 0.00 O ATOM 0 H GLU A 83 15.347 -5.539 1.599 1.00 0.00 H new ATOM 0 HA GLU A 83 13.416 -4.515 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.400 -6.729 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.986 -6.493 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.844 -8.287 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.244 -7.691 1.049 1.00 0.00 H new ATOM 1273 N ASP A 84 11.715 -4.895 1.524 1.00 0.00 N ATOM 1274 CA ASP A 84 10.786 -4.976 2.685 1.00 0.00 C ATOM 1275 C ASP A 84 9.351 -4.956 2.153 1.00 0.00 C ATOM 1276 O ASP A 84 9.113 -4.605 1.013 1.00 0.00 O ATOM 1277 CB ASP A 84 11.014 -3.780 3.611 1.00 0.00 C ATOM 1278 CG ASP A 84 11.151 -4.272 5.053 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.264 -4.978 5.504 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.140 -3.934 5.682 1.00 0.00 O ATOM 0 H ASP A 84 11.411 -4.270 0.777 1.00 0.00 H new ATOM 0 HA ASP A 84 10.964 -5.892 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.913 -3.241 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.182 -3.081 3.531 1.00 0.00 H new ATOM 1285 N GLU A 85 8.390 -5.340 2.947 1.00 0.00 N ATOM 1286 CA GLU A 85 6.990 -5.348 2.443 1.00 0.00 C ATOM 1287 C GLU A 85 6.004 -5.046 3.575 1.00 0.00 C ATOM 1288 O GLU A 85 6.329 -5.125 4.743 1.00 0.00 O ATOM 1289 CB GLU A 85 6.690 -6.727 1.853 1.00 0.00 C ATOM 1290 CG GLU A 85 6.415 -7.729 2.978 1.00 0.00 C ATOM 1291 CD GLU A 85 7.028 -9.083 2.618 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.732 -9.147 1.624 1.00 0.00 O ATOM 1293 OE2 GLU A 85 6.784 -10.033 3.344 1.00 0.00 O ATOM 0 H GLU A 85 8.512 -5.645 3.913 1.00 0.00 H new ATOM 0 HA GLU A 85 6.879 -4.578 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.828 -6.668 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.533 -7.066 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.837 -7.365 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.341 -7.834 3.131 1.00 0.00 H new ATOM 1300 N ALA A 86 4.793 -4.712 3.222 1.00 0.00 N ATOM 1301 CA ALA A 86 3.755 -4.412 4.244 1.00 0.00 C ATOM 1302 C ALA A 86 2.408 -4.943 3.745 1.00 0.00 C ATOM 1303 O ALA A 86 2.097 -4.868 2.570 1.00 0.00 O ATOM 1304 CB ALA A 86 3.664 -2.899 4.454 1.00 0.00 C ATOM 0 H ALA A 86 4.476 -4.634 2.256 1.00 0.00 H new ATOM 0 HA ALA A 86 4.015 -4.887 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.903 -2.681 5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.628 -2.520 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.396 -2.417 3.514 1.00 0.00 H new ATOM 1310 N ILE A 87 1.611 -5.487 4.623 1.00 0.00 N ATOM 1311 CA ILE A 87 0.291 -6.028 4.192 1.00 0.00 C ATOM 1312 C ILE A 87 -0.827 -5.123 4.709 1.00 0.00 C ATOM 1313 O ILE A 87 -0.780 -4.635 5.822 1.00 0.00 O ATOM 1314 CB ILE A 87 0.115 -7.443 4.752 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.334 -7.911 4.532 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.453 -7.453 6.246 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.255 -7.351 5.624 1.00 0.00 C ATOM 0 H ILE A 87 1.816 -5.580 5.618 1.00 0.00 H new ATOM 0 HA ILE A 87 0.248 -6.062 3.103 1.00 0.00 H new ATOM 0 HB ILE A 87 0.789 -8.124 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.682 -7.584 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.375 -9.000 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.327 -8.461 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.486 -7.135 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.213 -6.770 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.275 -7.693 5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.916 -7.700 6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.229 -6.262 5.599 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.836 -4.896 3.913 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.958 -4.025 4.362 1.00 0.00 C ATOM 1331 C PHE A 88 -4.290 -4.613 3.887 1.00 0.00 C ATOM 1332 O PHE A 88 -4.693 -4.428 2.755 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.795 -2.618 3.775 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.387 -2.120 3.999 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.990 -1.686 5.270 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.480 -2.084 2.934 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.315 -1.218 5.474 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.824 -1.617 3.138 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.221 -1.184 4.408 1.00 0.00 C ATOM 0 H PHE A 88 -1.932 -5.276 2.971 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.947 -3.969 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.018 -2.633 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.508 -1.937 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.689 -1.712 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.786 -2.417 1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.622 -0.884 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.523 -1.591 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.227 -0.824 4.566 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.989 -5.302 4.746 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.302 -5.875 4.338 1.00 0.00 C ATOM 1351 C GLU A 89 -7.330 -4.748 4.378 1.00 0.00 C ATOM 1352 O GLU A 89 -7.684 -4.259 5.431 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.708 -6.982 5.313 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.875 -7.779 4.725 1.00 0.00 C ATOM 1355 CD GLU A 89 -8.771 -8.282 5.857 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.356 -9.193 6.555 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -9.858 -7.750 6.007 1.00 0.00 O ATOM 0 H GLU A 89 -4.710 -5.492 5.708 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.241 -6.302 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.862 -7.642 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.996 -6.549 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.450 -7.153 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.498 -8.621 4.144 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.788 -4.305 3.242 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.759 -3.178 3.233 1.00 0.00 C ATOM 1366 C VAL A 90 -10.180 -3.681 2.987 1.00 0.00 C ATOM 1367 O VAL A 90 -10.440 -4.438 2.073 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.367 -2.192 2.135 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.156 -0.895 2.309 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.870 -1.893 2.235 1.00 0.00 C ATOM 0 H VAL A 90 -7.534 -4.672 2.325 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.736 -2.687 4.206 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.590 -2.625 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.876 -0.191 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.223 -1.107 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.932 -0.461 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.586 -1.189 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.650 -1.459 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.305 -2.817 2.114 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.102 -3.242 3.798 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.520 -3.659 3.630 1.00 0.00 C ATOM 1382 C ILE A 91 -13.332 -2.440 3.183 1.00 0.00 C ATOM 1383 O ILE A 91 -12.843 -1.325 3.202 1.00 0.00 O ATOM 1384 CB ILE A 91 -13.052 -4.183 4.974 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -14.143 -5.226 4.720 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -13.634 -3.027 5.802 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -13.573 -6.366 3.874 1.00 0.00 C ATOM 0 H ILE A 91 -10.931 -2.606 4.577 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.603 -4.449 2.883 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.230 -4.637 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.517 -5.614 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -14.988 -4.766 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.007 -3.411 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -12.856 -2.287 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.452 -2.561 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.350 -7.109 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -13.220 -5.971 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.742 -6.832 4.404 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.568 -2.624 2.813 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.379 -1.450 2.399 1.00 0.00 C ATOM 1401 C VAL A 92 -16.865 -1.726 2.605 1.00 0.00 C ATOM 1402 O VAL A 92 -17.413 -2.679 2.087 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.095 -1.137 0.939 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.998 0.007 0.474 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.632 -0.719 0.824 1.00 0.00 C ATOM 0 H VAL A 92 -15.046 -3.525 2.780 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.108 -0.591 3.013 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.290 -2.010 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.793 0.230 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.042 -0.286 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.803 0.893 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.400 -0.488 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.456 0.163 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.993 -1.533 1.166 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.520 -0.890 3.364 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.975 -1.091 3.614 1.00 0.00 C ATOM 1417 C GLN A 93 -19.607 0.235 4.045 1.00 0.00 C ATOM 1418 O GLN A 93 -19.444 0.599 5.198 1.00 0.00 O ATOM 1419 CB GLN A 93 -19.164 -2.129 4.722 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.595 -3.461 4.106 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.526 -4.520 4.381 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -18.223 -4.813 5.521 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.937 -5.111 3.377 1.00 0.00 N ATOM 1424 OXT GLN A 93 -20.242 0.863 3.214 1.00 0.00 O ATOM 0 H GLN A 93 -17.110 -0.076 3.822 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.455 -1.443 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.235 -2.257 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.915 -1.785 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.550 -3.776 4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -19.741 -3.347 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.191 -4.865 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.223 -5.818 3.549 1.00 0.00 H new TER 1433 GLN A 93