USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 65 GLN : amide:sc= -0.642 K(o=0.67,f=-5.5!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.27) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -143:sc= 1.9 (180deg=-0.698) USER MOD Set 2.2: A 37 TYR OH : rot -115:sc= 0.943 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 175:sc= 1.41 USER MOD Single : A 3 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.0072) USER MOD Single : A 4 MET CE :methyl -136:sc= -0.0934 (180deg=-0.542) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= 0.834 (180deg=-0.845!) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.17) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.15) USER MOD Single : A 17 GLN : amide:sc= -0.89 X(o=-0.89,f=-0.46) USER MOD Single : A 21 SER OG : rot -81:sc= 0.989 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.15) USER MOD Single : A 34 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.887 (180deg=-1.44) USER MOD Single : A 46 MET CE :methyl -153:sc= 0 (180deg=-1.77) USER MOD Single : A 48 MET CE :methyl 161:sc= -2.69! (180deg=-3.79!) USER MOD Single : A 50 SER OG : rot -118:sc= 1.69 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.5) USER MOD Single : A 61 MET CE :methyl -159:sc= -0.649 (180deg=-0.936) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 1.12 (180deg=0.704) USER MOD Single : B 12 TYR OH : rot -125:sc= 1.73 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.272 2.994 -6.966 1.00 10.00 N ATOM 2 CA GLY A 1 -18.826 3.076 -6.898 1.00 10.00 C ATOM 3 C GLY A 1 -18.353 3.668 -5.588 1.00 10.00 C ATOM 4 O GLY A 1 -19.150 3.866 -4.670 1.00 10.00 O ATOM 0 H1 GLY A 1 -20.553 2.031 -7.240 1.00 10.00 H new ATOM 0 H2 GLY A 1 -20.677 3.221 -6.035 1.00 10.00 H new ATOM 0 H3 GLY A 1 -20.625 3.672 -7.671 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -18.400 2.080 -7.021 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -18.458 3.684 -7.724 1.00 10.00 H new ATOM 8 N SER A 2 -17.069 3.958 -5.497 1.00 10.00 N ATOM 9 CA SER A 2 -16.503 4.529 -4.289 1.00 10.00 C ATOM 10 C SER A 2 -16.368 6.035 -4.418 1.00 10.00 C ATOM 11 O SER A 2 -15.809 6.540 -5.393 1.00 10.00 O ATOM 12 CB SER A 2 -15.134 3.912 -3.996 1.00 10.00 C ATOM 13 OG SER A 2 -14.356 4.743 -3.145 1.00 10.00 O ATOM 0 H SER A 2 -16.396 3.807 -6.248 1.00 10.00 H new ATOM 0 HA SER A 2 -17.179 4.306 -3.463 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.267 2.936 -3.530 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.600 3.748 -4.932 1.00 10.00 H new ATOM 0 HG SER A 2 -13.523 4.283 -2.911 1.00 10.00 H new ATOM 19 N HIS A 3 -16.882 6.749 -3.430 1.00 10.00 N ATOM 20 CA HIS A 3 -16.796 8.198 -3.424 1.00 10.00 C ATOM 21 C HIS A 3 -15.633 8.636 -2.547 1.00 10.00 C ATOM 22 O HIS A 3 -15.488 9.813 -2.219 1.00 10.00 O ATOM 23 CB HIS A 3 -18.105 8.823 -2.934 1.00 10.00 C ATOM 24 CG HIS A 3 -18.854 9.537 -4.015 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.245 10.848 -3.874 1.00 10.00 N ATOM 26 CD2 HIS A 3 -19.234 9.089 -5.235 1.00 10.00 C ATOM 27 CE1 HIS A 3 -19.850 11.167 -5.008 1.00 10.00 C ATOM 28 NE2 HIS A 3 -19.866 10.133 -5.857 1.00 10.00 N ATOM 0 H HIS A 3 -17.362 6.349 -2.624 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.625 8.543 -4.444 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.739 8.042 -2.515 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.887 9.523 -2.127 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.071 8.101 -5.639 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -20.276 12.137 -5.220 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -20.273 10.124 -6.792 1.00 10.00 H new ATOM 36 N MET A 4 -14.799 7.672 -2.178 1.00 10.00 N ATOM 37 CA MET A 4 -13.636 7.937 -1.346 1.00 10.00 C ATOM 38 C MET A 4 -12.426 8.263 -2.220 1.00 10.00 C ATOM 39 O MET A 4 -12.532 9.037 -3.176 1.00 10.00 O ATOM 40 CB MET A 4 -13.342 6.731 -0.445 1.00 10.00 C ATOM 41 CG MET A 4 -14.451 6.421 0.551 1.00 10.00 C ATOM 42 SD MET A 4 -14.768 7.785 1.691 1.00 10.00 S ATOM 43 CE MET A 4 -13.209 7.872 2.576 1.00 10.00 C ATOM 0 H MET A 4 -14.909 6.694 -2.445 1.00 10.00 H new ATOM 0 HA MET A 4 -13.846 8.798 -0.711 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.174 5.855 -1.071 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.417 6.915 0.102 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.366 6.187 0.008 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.183 5.532 1.121 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.402 7.990 3.642 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.644 6.955 2.408 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.633 8.724 2.215 1.00 10.00 H new ATOM 53 N ALA A 5 -11.282 7.673 -1.897 1.00 10.00 N ATOM 54 CA ALA A 5 -10.064 7.909 -2.651 1.00 10.00 C ATOM 55 C ALA A 5 -9.326 6.601 -2.910 1.00 10.00 C ATOM 56 O ALA A 5 -8.957 5.887 -1.977 1.00 10.00 O ATOM 57 CB ALA A 5 -9.167 8.890 -1.910 1.00 10.00 C ATOM 0 H ALA A 5 -11.175 7.026 -1.115 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.334 8.342 -3.614 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.257 9.058 -2.486 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.693 9.836 -1.778 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.908 8.480 -0.934 1.00 10.00 H new ATOM 63 N THR A 6 -9.141 6.285 -4.181 1.00 10.00 N ATOM 64 CA THR A 6 -8.445 5.073 -4.578 1.00 10.00 C ATOM 65 C THR A 6 -6.968 5.367 -4.815 1.00 10.00 C ATOM 66 O THR A 6 -6.623 6.266 -5.585 1.00 10.00 O ATOM 67 CB THR A 6 -9.075 4.484 -5.850 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.962 5.450 -6.436 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.843 3.211 -5.530 1.00 10.00 C ATOM 0 H THR A 6 -9.466 6.856 -4.961 1.00 10.00 H new ATOM 0 HA THR A 6 -8.536 4.343 -3.773 1.00 10.00 H new ATOM 0 HB THR A 6 -8.279 4.240 -6.554 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.363 5.076 -7.248 1.00 10.00 H new ATOM 0 HG21 THR A 6 -10.281 2.811 -6.444 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.164 2.475 -5.100 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.636 3.434 -4.816 1.00 10.00 H new ATOM 77 N VAL A 7 -6.098 4.626 -4.142 1.00 10.00 N ATOM 78 CA VAL A 7 -4.664 4.833 -4.271 1.00 10.00 C ATOM 79 C VAL A 7 -4.007 3.672 -5.005 1.00 10.00 C ATOM 80 O VAL A 7 -4.247 2.505 -4.684 1.00 10.00 O ATOM 81 CB VAL A 7 -3.993 4.996 -2.889 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.587 5.555 -3.028 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.832 5.883 -1.984 1.00 10.00 C ATOM 0 H VAL A 7 -6.361 3.877 -3.502 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.526 5.749 -4.845 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.922 4.008 -2.433 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.138 5.660 -2.040 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.984 4.876 -3.631 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.630 6.530 -3.512 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.341 5.984 -1.016 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.942 6.867 -2.440 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.816 5.435 -1.846 1.00 10.00 H new ATOM 93 N LYS A 8 -3.199 3.995 -6.004 1.00 10.00 N ATOM 94 CA LYS A 8 -2.492 2.987 -6.776 1.00 10.00 C ATOM 95 C LYS A 8 -1.199 2.597 -6.075 1.00 10.00 C ATOM 96 O LYS A 8 -0.447 3.457 -5.611 1.00 10.00 O ATOM 97 CB LYS A 8 -2.189 3.506 -8.177 1.00 10.00 C ATOM 98 CG LYS A 8 -3.393 3.512 -9.101 1.00 10.00 C ATOM 99 CD LYS A 8 -3.020 4.011 -10.488 1.00 10.00 C ATOM 100 CE LYS A 8 -4.074 3.651 -11.519 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.489 3.522 -12.881 1.00 10.00 N ATOM 0 H LYS A 8 -3.017 4.954 -6.299 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.129 2.106 -6.859 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.795 4.520 -8.102 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.405 2.892 -8.620 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.805 2.505 -9.173 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.174 4.147 -8.681 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.891 5.093 -10.462 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.062 3.583 -10.783 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.553 2.713 -11.238 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.851 4.415 -11.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.167 3.877 -13.585 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -2.611 4.077 -12.936 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.279 2.522 -13.075 1.00 10.00 H new ATOM 115 N PHE A 9 -0.935 1.305 -6.009 1.00 10.00 N ATOM 116 CA PHE A 9 0.260 0.810 -5.349 1.00 10.00 C ATOM 117 C PHE A 9 1.051 -0.118 -6.256 1.00 10.00 C ATOM 118 O PHE A 9 0.622 -1.232 -6.556 1.00 10.00 O ATOM 119 CB PHE A 9 -0.115 0.088 -4.059 1.00 10.00 C ATOM 120 CG PHE A 9 -0.660 1.009 -3.007 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.978 0.910 -2.591 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.150 1.972 -2.432 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.477 1.755 -1.621 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.343 2.822 -1.463 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.658 2.713 -1.055 1.00 10.00 C ATOM 0 H PHE A 9 -1.532 0.579 -6.404 1.00 10.00 H new ATOM 0 HA PHE A 9 0.892 1.666 -5.112 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.856 -0.679 -4.281 1.00 10.00 H new ATOM 0 HB3 PHE A 9 0.764 -0.423 -3.666 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.622 0.163 -3.031 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.180 2.060 -2.745 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.506 1.668 -1.305 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.299 3.572 -1.024 1.00 10.00 H new ATOM 0 HZ PHE A 9 -2.045 3.375 -0.295 1.00 10.00 H new ATOM 135 N LYS A 10 2.202 0.358 -6.699 1.00 10.00 N ATOM 136 CA LYS A 10 3.074 -0.418 -7.563 1.00 10.00 C ATOM 137 C LYS A 10 3.967 -1.330 -6.723 1.00 10.00 C ATOM 138 O LYS A 10 5.061 -0.940 -6.310 1.00 10.00 O ATOM 139 CB LYS A 10 3.921 0.520 -8.427 1.00 10.00 C ATOM 140 CG LYS A 10 4.749 -0.185 -9.488 1.00 10.00 C ATOM 141 CD LYS A 10 5.600 0.810 -10.257 1.00 10.00 C ATOM 142 CE LYS A 10 6.651 0.117 -11.109 1.00 10.00 C ATOM 143 NZ LYS A 10 7.703 1.070 -11.552 1.00 10.00 N ATOM 0 H LYS A 10 2.556 1.287 -6.472 1.00 10.00 H new ATOM 0 HA LYS A 10 2.466 -1.040 -8.220 1.00 10.00 H new ATOM 0 HB2 LYS A 10 3.263 1.239 -8.915 1.00 10.00 H new ATOM 0 HB3 LYS A 10 4.589 1.088 -7.779 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.389 -0.932 -9.019 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.091 -0.716 -10.176 1.00 10.00 H new ATOM 0 HD2 LYS A 10 4.959 1.419 -10.895 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.089 1.487 -9.557 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.107 -0.693 -10.540 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.176 -0.334 -11.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.266 0.637 -12.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.257 1.941 -11.904 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.324 1.300 -10.750 1.00 10.00 H new ATOM 157 N TYR A 11 3.487 -2.534 -6.457 1.00 10.00 N ATOM 158 CA TYR A 11 4.235 -3.493 -5.663 1.00 10.00 C ATOM 159 C TYR A 11 4.706 -4.639 -6.554 1.00 10.00 C ATOM 160 O TYR A 11 3.962 -5.104 -7.418 1.00 10.00 O ATOM 161 CB TYR A 11 3.375 -4.001 -4.490 1.00 10.00 C ATOM 162 CG TYR A 11 2.764 -5.374 -4.689 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.358 -6.494 -4.131 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.597 -5.549 -5.424 1.00 10.00 C ATOM 165 CE1 TYR A 11 2.814 -7.753 -4.296 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.048 -6.806 -5.596 1.00 10.00 C ATOM 167 CZ TYR A 11 1.660 -7.904 -5.031 1.00 10.00 C ATOM 168 OH TYR A 11 1.115 -9.157 -5.191 1.00 10.00 O ATOM 0 H TYR A 11 2.580 -2.870 -6.781 1.00 10.00 H new ATOM 0 HA TYR A 11 5.115 -3.009 -5.238 1.00 10.00 H new ATOM 0 HB2 TYR A 11 3.990 -4.021 -3.590 1.00 10.00 H new ATOM 0 HB3 TYR A 11 2.572 -3.285 -4.311 1.00 10.00 H new ATOM 0 HD1 TYR A 11 4.265 -6.381 -3.555 1.00 10.00 H new ATOM 0 HD2 TYR A 11 1.113 -4.691 -5.867 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.291 -8.614 -3.851 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.142 -6.927 -6.171 1.00 10.00 H new ATOM 0 HH TYR A 11 0.302 -9.093 -5.734 1.00 10.00 H new ATOM 178 N LYS A 12 5.954 -5.060 -6.360 1.00 10.00 N ATOM 179 CA LYS A 12 6.555 -6.143 -7.143 1.00 10.00 C ATOM 180 C LYS A 12 6.565 -5.813 -8.637 1.00 10.00 C ATOM 181 O LYS A 12 6.773 -6.690 -9.473 1.00 10.00 O ATOM 182 CB LYS A 12 5.817 -7.468 -6.907 1.00 10.00 C ATOM 183 CG LYS A 12 6.225 -8.180 -5.625 1.00 10.00 C ATOM 184 CD LYS A 12 7.679 -8.623 -5.668 1.00 10.00 C ATOM 185 CE LYS A 12 7.997 -9.599 -4.547 1.00 10.00 C ATOM 186 NZ LYS A 12 9.454 -9.860 -4.434 1.00 10.00 N ATOM 0 H LYS A 12 6.578 -4.662 -5.658 1.00 10.00 H new ATOM 0 HA LYS A 12 7.586 -6.250 -6.807 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.745 -7.275 -6.879 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.000 -8.130 -7.753 1.00 10.00 H new ATOM 0 HG2 LYS A 12 6.072 -7.515 -4.775 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.584 -9.048 -5.471 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.890 -9.091 -6.630 1.00 10.00 H new ATOM 0 HD3 LYS A 12 8.329 -7.751 -5.588 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.626 -9.200 -3.603 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.473 -10.538 -4.724 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.653 -10.331 -3.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.759 -10.472 -5.217 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.972 -8.959 -4.477 1.00 10.00 H new ATOM 200 N GLY A 13 6.357 -4.544 -8.962 1.00 10.00 N ATOM 201 CA GLY A 13 6.338 -4.124 -10.348 1.00 10.00 C ATOM 202 C GLY A 13 4.928 -4.017 -10.902 1.00 10.00 C ATOM 203 O GLY A 13 4.709 -3.394 -11.943 1.00 10.00 O ATOM 0 H GLY A 13 6.201 -3.796 -8.287 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.835 -3.158 -10.439 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.908 -4.834 -10.948 1.00 10.00 H new ATOM 207 N GLU A 14 3.971 -4.610 -10.204 1.00 10.00 N ATOM 208 CA GLU A 14 2.581 -4.587 -10.635 1.00 10.00 C ATOM 209 C GLU A 14 1.860 -3.391 -10.024 1.00 10.00 C ATOM 210 O GLU A 14 2.127 -3.011 -8.887 1.00 10.00 O ATOM 211 CB GLU A 14 1.884 -5.892 -10.241 1.00 10.00 C ATOM 212 CG GLU A 14 0.559 -6.108 -10.950 1.00 10.00 C ATOM 213 CD GLU A 14 0.021 -7.507 -10.761 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.693 -8.472 -11.184 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.086 -7.651 -10.198 1.00 10.00 O ATOM 0 H GLU A 14 4.133 -5.115 -9.333 1.00 10.00 H new ATOM 0 HA GLU A 14 2.551 -4.492 -11.720 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.546 -6.729 -10.462 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.716 -5.894 -9.164 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.170 -5.389 -10.577 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.684 -5.912 -12.015 1.00 10.00 H new ATOM 222 N GLU A 15 0.945 -2.801 -10.778 1.00 10.00 N ATOM 223 CA GLU A 15 0.211 -1.639 -10.306 1.00 10.00 C ATOM 224 C GLU A 15 -1.152 -2.031 -9.741 1.00 10.00 C ATOM 225 O GLU A 15 -2.104 -2.282 -10.487 1.00 10.00 O ATOM 226 CB GLU A 15 0.029 -0.631 -11.439 1.00 10.00 C ATOM 227 CG GLU A 15 -0.563 0.694 -10.985 1.00 10.00 C ATOM 228 CD GLU A 15 -1.189 1.470 -12.121 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.656 2.536 -12.484 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.226 1.025 -12.653 1.00 10.00 O ATOM 0 H GLU A 15 0.694 -3.108 -11.718 1.00 10.00 H new ATOM 0 HA GLU A 15 0.794 -1.183 -9.505 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.995 -0.446 -11.908 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.617 -1.066 -12.201 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.316 0.508 -10.219 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.219 1.298 -10.524 1.00 10.00 H new ATOM 237 N LYS A 16 -1.233 -2.092 -8.422 1.00 10.00 N ATOM 238 CA LYS A 16 -2.474 -2.424 -7.743 1.00 10.00 C ATOM 239 C LYS A 16 -3.231 -1.148 -7.410 1.00 10.00 C ATOM 240 O LYS A 16 -2.724 -0.047 -7.621 1.00 10.00 O ATOM 241 CB LYS A 16 -2.198 -3.200 -6.454 1.00 10.00 C ATOM 242 CG LYS A 16 -2.275 -4.708 -6.611 1.00 10.00 C ATOM 243 CD LYS A 16 -2.827 -5.357 -5.354 1.00 10.00 C ATOM 244 CE LYS A 16 -2.702 -6.872 -5.399 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.497 -7.528 -4.325 1.00 10.00 N ATOM 0 H LYS A 16 -0.447 -1.914 -7.796 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.072 -3.049 -8.406 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.207 -2.934 -6.087 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.914 -2.887 -5.694 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.909 -4.957 -7.462 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.283 -5.106 -6.825 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -2.295 -4.974 -4.483 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.875 -5.082 -5.233 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -3.036 -7.235 -6.371 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.654 -7.153 -5.297 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.979 -8.355 -3.966 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.655 -6.854 -3.549 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.414 -7.834 -4.709 1.00 10.00 H new ATOM 259 N GLN A 17 -4.439 -1.292 -6.898 1.00 10.00 N ATOM 260 CA GLN A 17 -5.251 -0.146 -6.529 1.00 10.00 C ATOM 261 C GLN A 17 -6.075 -0.474 -5.292 1.00 10.00 C ATOM 262 O GLN A 17 -6.896 -1.392 -5.309 1.00 10.00 O ATOM 263 CB GLN A 17 -6.166 0.249 -7.687 1.00 10.00 C ATOM 264 CG GLN A 17 -6.894 1.564 -7.468 1.00 10.00 C ATOM 265 CD GLN A 17 -7.750 1.968 -8.653 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.954 3.153 -8.901 1.00 10.00 O ATOM 267 NE2 GLN A 17 -8.255 0.991 -9.393 1.00 10.00 N ATOM 0 H GLN A 17 -4.882 -2.195 -6.727 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.596 0.695 -6.304 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.573 0.319 -8.599 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.900 -0.541 -7.844 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.524 1.482 -6.582 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.164 2.349 -7.269 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -8.062 0.018 -9.154 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.836 1.212 -10.201 1.00 10.00 H new ATOM 276 N VAL A 18 -5.846 0.267 -4.219 1.00 10.00 N ATOM 277 CA VAL A 18 -6.562 0.041 -2.971 1.00 10.00 C ATOM 278 C VAL A 18 -7.242 1.319 -2.491 1.00 10.00 C ATOM 279 O VAL A 18 -6.666 2.407 -2.554 1.00 10.00 O ATOM 280 CB VAL A 18 -5.618 -0.473 -1.861 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.402 -0.816 -0.604 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.824 -1.680 -2.338 1.00 10.00 C ATOM 0 H VAL A 18 -5.170 1.030 -4.186 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.317 -0.718 -3.174 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.915 0.325 -1.622 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.718 -1.176 0.165 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.918 0.074 -0.243 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.133 -1.592 -0.831 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.167 -2.023 -1.538 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.510 -2.481 -2.613 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.225 -1.402 -3.205 1.00 10.00 H new ATOM 292 N ASP A 19 -8.479 1.177 -2.034 1.00 10.00 N ATOM 293 CA ASP A 19 -9.248 2.300 -1.519 1.00 10.00 C ATOM 294 C ASP A 19 -8.726 2.686 -0.142 1.00 10.00 C ATOM 295 O ASP A 19 -8.449 1.819 0.687 1.00 10.00 O ATOM 296 CB ASP A 19 -10.729 1.920 -1.432 1.00 10.00 C ATOM 297 CG ASP A 19 -11.643 3.112 -1.232 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.409 3.905 -0.297 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.626 3.237 -1.991 1.00 10.00 O ATOM 0 H ASP A 19 -8.974 0.286 -2.010 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.142 3.150 -2.193 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.017 1.399 -2.345 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.870 1.221 -0.608 1.00 10.00 H new ATOM 304 N ILE A 20 -8.609 3.986 0.107 1.00 10.00 N ATOM 305 CA ILE A 20 -8.107 4.483 1.383 1.00 10.00 C ATOM 306 C ILE A 20 -8.999 4.044 2.552 1.00 10.00 C ATOM 307 O ILE A 20 -8.526 3.892 3.678 1.00 10.00 O ATOM 308 CB ILE A 20 -7.964 6.024 1.376 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.191 6.496 2.616 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.329 6.698 1.301 1.00 10.00 C ATOM 311 CD1 ILE A 20 -6.826 7.963 2.580 1.00 10.00 C ATOM 0 H ILE A 20 -8.856 4.717 -0.560 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.119 4.045 1.523 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.400 6.310 0.488 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.792 6.301 3.504 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.280 5.906 2.712 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.201 7.780 1.298 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -9.837 6.390 0.387 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -9.927 6.406 2.165 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.282 8.225 3.488 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.198 8.161 1.711 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -7.734 8.562 2.515 1.00 10.00 H new ATOM 323 N SER A 21 -10.278 3.810 2.278 1.00 10.00 N ATOM 324 CA SER A 21 -11.208 3.395 3.321 1.00 10.00 C ATOM 325 C SER A 21 -11.017 1.922 3.678 1.00 10.00 C ATOM 326 O SER A 21 -11.460 1.466 4.734 1.00 10.00 O ATOM 327 CB SER A 21 -12.654 3.651 2.884 1.00 10.00 C ATOM 328 OG SER A 21 -12.921 3.078 1.615 1.00 10.00 O ATOM 0 H SER A 21 -10.692 3.900 1.350 1.00 10.00 H new ATOM 0 HA SER A 21 -10.998 3.989 4.210 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.338 3.235 3.624 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.839 4.724 2.846 1.00 10.00 H new ATOM 0 HG SER A 21 -12.591 3.674 0.911 1.00 10.00 H new ATOM 334 N LYS A 22 -10.344 1.181 2.806 1.00 10.00 N ATOM 335 CA LYS A 22 -10.106 -0.237 3.039 1.00 10.00 C ATOM 336 C LYS A 22 -8.741 -0.466 3.674 1.00 10.00 C ATOM 337 O LYS A 22 -8.439 -1.563 4.146 1.00 10.00 O ATOM 338 CB LYS A 22 -10.220 -1.009 1.727 1.00 10.00 C ATOM 339 CG LYS A 22 -11.618 -0.966 1.132 1.00 10.00 C ATOM 340 CD LYS A 22 -11.659 -1.584 -0.256 1.00 10.00 C ATOM 341 CE LYS A 22 -13.019 -1.388 -0.908 1.00 10.00 C ATOM 342 NZ LYS A 22 -13.016 -1.777 -2.345 1.00 10.00 N ATOM 0 H LYS A 22 -9.955 1.538 1.933 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.864 -0.602 3.732 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.512 -0.598 1.007 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.935 -2.047 1.897 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.309 -1.497 1.787 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.959 0.068 1.080 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.886 -1.134 -0.880 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.435 -2.649 -0.189 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.764 -1.979 -0.375 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.316 -0.343 -0.817 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.963 -1.627 -2.747 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.325 -1.196 -2.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.758 -2.781 -2.432 1.00 10.00 H new ATOM 356 N ILE A 23 -7.919 0.576 3.681 1.00 10.00 N ATOM 357 CA ILE A 23 -6.593 0.497 4.268 1.00 10.00 C ATOM 358 C ILE A 23 -6.701 0.543 5.784 1.00 10.00 C ATOM 359 O ILE A 23 -7.327 1.448 6.340 1.00 10.00 O ATOM 360 CB ILE A 23 -5.678 1.640 3.780 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.559 1.613 2.253 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.301 1.531 4.426 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.722 2.739 1.685 1.00 10.00 C ATOM 0 H ILE A 23 -8.151 1.487 3.285 1.00 10.00 H new ATOM 0 HA ILE A 23 -6.146 -0.446 3.952 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.122 2.591 4.074 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -5.125 0.661 1.949 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.558 1.661 1.819 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.667 2.344 4.072 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.401 1.595 5.509 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.849 0.576 4.159 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.684 2.652 0.599 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.167 3.696 1.957 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.711 2.680 2.089 1.00 10.00 H new ATOM 375 N LEU A 24 -6.115 -0.438 6.444 1.00 10.00 N ATOM 376 CA LEU A 24 -6.159 -0.512 7.894 1.00 10.00 C ATOM 377 C LEU A 24 -5.033 0.303 8.509 1.00 10.00 C ATOM 378 O LEU A 24 -5.277 1.237 9.271 1.00 10.00 O ATOM 379 CB LEU A 24 -6.076 -1.970 8.356 1.00 10.00 C ATOM 380 CG LEU A 24 -7.196 -2.874 7.840 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.947 -4.313 8.256 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.545 -2.396 8.353 1.00 10.00 C ATOM 0 H LEU A 24 -5.601 -1.198 5.998 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.108 -0.093 8.230 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.119 -2.383 8.037 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.085 -1.992 9.446 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.207 -2.826 6.751 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.753 -4.945 7.881 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.997 -4.652 7.842 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.912 -4.376 9.344 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.331 -3.051 7.976 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.548 -2.416 9.443 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.725 -1.378 8.009 1.00 10.00 H new ATOM 394 N SER A 25 -3.800 -0.039 8.169 1.00 10.00 N ATOM 395 CA SER A 25 -2.648 0.669 8.700 1.00 10.00 C ATOM 396 C SER A 25 -1.476 0.622 7.727 1.00 10.00 C ATOM 397 O SER A 25 -1.280 -0.367 7.017 1.00 10.00 O ATOM 398 CB SER A 25 -2.236 0.075 10.050 1.00 10.00 C ATOM 399 OG SER A 25 -2.809 -1.207 10.242 1.00 10.00 O ATOM 0 H SER A 25 -3.573 -0.800 7.530 1.00 10.00 H new ATOM 0 HA SER A 25 -2.930 1.712 8.841 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.150 0.002 10.102 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.550 0.741 10.854 1.00 10.00 H new ATOM 0 HG SER A 25 -2.528 -1.564 11.110 1.00 10.00 H new ATOM 405 N VAL A 26 -0.724 1.712 7.677 1.00 10.00 N ATOM 406 CA VAL A 26 0.445 1.806 6.816 1.00 10.00 C ATOM 407 C VAL A 26 1.706 1.920 7.665 1.00 10.00 C ATOM 408 O VAL A 26 1.751 2.700 8.618 1.00 10.00 O ATOM 409 CB VAL A 26 0.351 3.024 5.871 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.614 3.171 5.038 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.864 2.906 4.965 1.00 10.00 C ATOM 0 H VAL A 26 -0.906 2.551 8.228 1.00 10.00 H new ATOM 0 HA VAL A 26 0.487 0.902 6.208 1.00 10.00 H new ATOM 0 HB VAL A 26 0.244 3.916 6.488 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.519 4.037 4.382 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.471 3.308 5.698 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.759 2.274 4.436 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.913 3.773 4.307 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.784 1.999 4.365 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.768 2.860 5.573 1.00 10.00 H new ATOM 421 N GLY A 27 2.715 1.126 7.331 1.00 10.00 N ATOM 422 CA GLY A 27 3.957 1.153 8.073 1.00 10.00 C ATOM 423 C GLY A 27 5.151 1.381 7.174 1.00 10.00 C ATOM 424 O GLY A 27 5.461 0.550 6.315 1.00 10.00 O ATOM 0 H GLY A 27 2.694 0.462 6.557 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.913 1.942 8.824 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.080 0.211 8.607 1.00 10.00 H new ATOM 428 N ARG A 28 5.821 2.507 7.354 1.00 10.00 N ATOM 429 CA ARG A 28 6.988 2.828 6.553 1.00 10.00 C ATOM 430 C ARG A 28 8.259 2.365 7.248 1.00 10.00 C ATOM 431 O ARG A 28 8.627 2.875 8.305 1.00 10.00 O ATOM 432 CB ARG A 28 7.053 4.332 6.283 1.00 10.00 C ATOM 433 CG ARG A 28 8.249 4.745 5.444 1.00 10.00 C ATOM 434 CD ARG A 28 8.337 6.253 5.286 1.00 10.00 C ATOM 435 NE ARG A 28 9.596 6.647 4.663 1.00 10.00 N ATOM 436 CZ ARG A 28 10.704 6.961 5.335 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.712 6.936 6.667 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.798 7.296 4.669 1.00 10.00 N ATOM 0 H ARG A 28 5.576 3.213 8.048 1.00 10.00 H new ATOM 0 HA ARG A 28 6.903 2.304 5.601 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.139 4.642 5.776 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.086 4.863 7.234 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.163 4.375 5.908 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.180 4.280 4.460 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.503 6.607 4.681 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.247 6.729 6.262 1.00 10.00 H new ATOM 0 HE ARG A 28 9.631 6.685 3.644 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.868 6.676 7.177 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.562 7.177 7.177 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.789 7.313 3.649 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.650 7.538 5.176 1.00 10.00 H new ATOM 452 N TYR A 29 8.928 1.396 6.641 1.00 10.00 N ATOM 453 CA TYR A 29 10.166 0.854 7.191 1.00 10.00 C ATOM 454 C TYR A 29 11.349 1.715 6.765 1.00 10.00 C ATOM 455 O TYR A 29 12.475 1.527 7.228 1.00 10.00 O ATOM 456 CB TYR A 29 10.377 -0.592 6.723 1.00 10.00 C ATOM 457 CG TYR A 29 9.422 -1.583 7.353 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.070 -1.569 7.042 1.00 10.00 C ATOM 459 CD2 TYR A 29 9.879 -2.529 8.259 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.199 -2.469 7.614 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.014 -3.434 8.836 1.00 10.00 C ATOM 462 CZ TYR A 29 7.676 -3.400 8.511 1.00 10.00 C ATOM 463 OH TYR A 29 6.809 -4.298 9.085 1.00 10.00 O ATOM 0 H TYR A 29 8.634 0.966 5.764 1.00 10.00 H new ATOM 0 HA TYR A 29 10.092 0.861 8.278 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.266 -0.633 5.639 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.400 -0.892 6.951 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.694 -0.840 6.339 1.00 10.00 H new ATOM 0 HD2 TYR A 29 10.928 -2.557 8.516 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.149 -2.445 7.361 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.383 -4.166 9.539 1.00 10.00 H new ATOM 0 HH TYR A 29 7.303 -4.887 9.693 1.00 10.00 H new ATOM 473 N GLY A 30 11.079 2.654 5.868 1.00 10.00 N ATOM 474 CA GLY A 30 12.110 3.539 5.371 1.00 10.00 C ATOM 475 C GLY A 30 12.097 3.599 3.861 1.00 10.00 C ATOM 476 O GLY A 30 11.336 4.360 3.272 1.00 10.00 O ATOM 0 H GLY A 30 10.153 2.818 5.473 1.00 10.00 H new ATOM 0 HA2 GLY A 30 11.962 4.539 5.779 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.085 3.195 5.716 1.00 10.00 H new ATOM 480 N LYS A 31 12.912 2.772 3.233 1.00 10.00 N ATOM 481 CA LYS A 31 12.981 2.731 1.781 1.00 10.00 C ATOM 482 C LYS A 31 11.836 1.895 1.221 1.00 10.00 C ATOM 483 O LYS A 31 11.505 1.978 0.037 1.00 10.00 O ATOM 484 CB LYS A 31 14.322 2.157 1.332 1.00 10.00 C ATOM 485 CG LYS A 31 15.523 2.985 1.767 1.00 10.00 C ATOM 486 CD LYS A 31 15.448 4.413 1.246 1.00 10.00 C ATOM 487 CE LYS A 31 15.080 5.392 2.351 1.00 10.00 C ATOM 488 NZ LYS A 31 14.937 6.776 1.837 1.00 10.00 N ATOM 0 H LYS A 31 13.537 2.118 3.705 1.00 10.00 H new ATOM 0 HA LYS A 31 12.890 3.748 1.399 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.426 1.147 1.730 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.325 2.073 0.245 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.579 2.998 2.855 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.438 2.515 1.406 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.408 4.695 0.814 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.710 4.471 0.446 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.146 5.079 2.817 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.846 5.370 3.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.736 7.421 2.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 15.820 7.066 1.370 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 14.155 6.813 1.153 1.00 10.00 H new ATOM 502 N LEU A 32 11.238 1.089 2.089 1.00 10.00 N ATOM 503 CA LEU A 32 10.123 0.229 1.714 1.00 10.00 C ATOM 504 C LEU A 32 8.913 0.533 2.591 1.00 10.00 C ATOM 505 O LEU A 32 9.041 0.677 3.811 1.00 10.00 O ATOM 506 CB LEU A 32 10.513 -1.247 1.845 1.00 10.00 C ATOM 507 CG LEU A 32 11.352 -1.810 0.692 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.834 -3.210 1.021 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.552 -1.815 -0.601 1.00 10.00 C ATOM 0 H LEU A 32 11.511 1.013 3.069 1.00 10.00 H new ATOM 0 HA LEU A 32 9.866 0.426 0.673 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.069 -1.377 2.774 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.602 -1.840 1.932 1.00 10.00 H new ATOM 0 HG LEU A 32 12.221 -1.167 0.556 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.428 -3.595 0.192 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.445 -3.182 1.923 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.975 -3.861 1.185 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.165 -2.218 -1.407 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.664 -2.434 -0.477 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.253 -0.796 -0.848 1.00 10.00 H new ATOM 521 N ILE A 33 7.749 0.652 1.969 1.00 10.00 N ATOM 522 CA ILE A 33 6.517 0.940 2.687 1.00 10.00 C ATOM 523 C ILE A 33 5.554 -0.235 2.575 1.00 10.00 C ATOM 524 O ILE A 33 5.043 -0.528 1.494 1.00 10.00 O ATOM 525 CB ILE A 33 5.830 2.211 2.147 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.855 3.335 1.958 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.721 2.653 3.092 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.342 4.503 1.142 1.00 10.00 C ATOM 0 H ILE A 33 7.632 0.553 0.961 1.00 10.00 H new ATOM 0 HA ILE A 33 6.780 1.105 3.732 1.00 10.00 H new ATOM 0 HB ILE A 33 5.388 1.983 1.177 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.166 3.698 2.938 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.742 2.927 1.473 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.244 3.551 2.699 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.980 1.858 3.181 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.143 2.867 4.074 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.125 5.256 1.053 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.058 4.156 0.149 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.474 4.939 1.636 1.00 10.00 H new ATOM 540 N HIS A 34 5.312 -0.901 3.691 1.00 10.00 N ATOM 541 CA HIS A 34 4.418 -2.050 3.721 1.00 10.00 C ATOM 542 C HIS A 34 3.110 -1.669 4.397 1.00 10.00 C ATOM 543 O HIS A 34 3.108 -1.130 5.504 1.00 10.00 O ATOM 544 CB HIS A 34 5.090 -3.221 4.454 1.00 10.00 C ATOM 545 CG HIS A 34 4.241 -4.455 4.573 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.038 -5.361 3.553 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.544 -4.930 5.637 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.247 -6.335 4.020 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.919 -6.120 5.280 1.00 10.00 N ATOM 0 H HIS A 34 5.724 -0.665 4.594 1.00 10.00 H new ATOM 0 HA HIS A 34 4.201 -2.364 2.700 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.011 -3.479 3.931 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.372 -2.892 5.454 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.484 -4.458 6.607 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.920 -7.186 3.441 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.329 -6.706 5.870 1.00 10.00 H new ATOM 557 N PHE A 35 2.000 -1.945 3.729 1.00 10.00 N ATOM 558 CA PHE A 35 0.686 -1.617 4.260 1.00 10.00 C ATOM 559 C PHE A 35 -0.212 -2.845 4.309 1.00 10.00 C ATOM 560 O PHE A 35 0.045 -3.845 3.634 1.00 10.00 O ATOM 561 CB PHE A 35 0.021 -0.522 3.414 1.00 10.00 C ATOM 562 CG PHE A 35 -0.013 -0.830 1.939 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.043 -1.583 1.396 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.995 -0.379 1.102 1.00 10.00 C ATOM 565 CE1 PHE A 35 -1.066 -1.881 0.047 1.00 10.00 C ATOM 566 CE2 PHE A 35 0.975 -0.673 -0.248 1.00 10.00 C ATOM 567 CZ PHE A 35 -0.055 -1.425 -0.775 1.00 10.00 C ATOM 0 H PHE A 35 1.984 -2.397 2.815 1.00 10.00 H new ATOM 0 HA PHE A 35 0.824 -1.250 5.277 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.999 -0.371 3.768 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.554 0.417 3.568 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -1.837 -1.941 2.035 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.805 0.208 1.509 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -1.873 -2.469 -0.363 1.00 10.00 H new ATOM 0 HE2 PHE A 35 1.765 -0.314 -0.891 1.00 10.00 H new ATOM 0 HZ PHE A 35 -0.070 -1.657 -1.830 1.00 10.00 H new ATOM 577 N LEU A 36 -1.260 -2.757 5.111 1.00 10.00 N ATOM 578 CA LEU A 36 -2.220 -3.839 5.255 1.00 10.00 C ATOM 579 C LEU A 36 -3.628 -3.314 5.007 1.00 10.00 C ATOM 580 O LEU A 36 -4.066 -2.357 5.651 1.00 10.00 O ATOM 581 CB LEU A 36 -2.130 -4.451 6.658 1.00 10.00 C ATOM 582 CG LEU A 36 -0.876 -5.286 6.929 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.673 -5.474 8.426 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.975 -6.634 6.230 1.00 10.00 C ATOM 0 H LEU A 36 -1.469 -1.936 5.679 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.990 -4.613 4.523 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.176 -3.646 7.391 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.006 -5.079 6.819 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.013 -4.753 6.530 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.223 -6.070 8.600 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.559 -4.500 8.903 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.537 -5.986 8.849 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.076 -7.216 6.432 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.847 -7.173 6.601 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -1.073 -6.480 5.155 1.00 10.00 H new ATOM 596 N TYR A 37 -4.332 -3.928 4.072 1.00 10.00 N ATOM 597 CA TYR A 37 -5.685 -3.506 3.750 1.00 10.00 C ATOM 598 C TYR A 37 -6.668 -4.648 3.945 1.00 10.00 C ATOM 599 O TYR A 37 -6.325 -5.818 3.764 1.00 10.00 O ATOM 600 CB TYR A 37 -5.767 -2.962 2.314 1.00 10.00 C ATOM 601 CG TYR A 37 -5.334 -3.933 1.229 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.252 -4.778 0.616 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.013 -3.987 0.808 1.00 10.00 C ATOM 604 CE1 TYR A 37 -5.867 -5.651 -0.386 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.616 -4.856 -0.191 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.545 -5.687 -0.784 1.00 10.00 C ATOM 607 OH TYR A 37 -4.150 -6.556 -1.781 1.00 10.00 O ATOM 0 H TYR A 37 -3.991 -4.718 3.524 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.955 -2.701 4.433 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.794 -2.656 2.117 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -5.149 -2.067 2.246 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.286 -4.753 0.928 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.282 -3.339 1.269 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.594 -6.299 -0.853 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.583 -4.885 -0.506 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.532 -7.220 -1.410 1.00 10.00 H new ATOM 617 N ASP A 38 -7.884 -4.304 4.329 1.00 10.00 N ATOM 618 CA ASP A 38 -8.927 -5.292 4.552 1.00 10.00 C ATOM 619 C ASP A 38 -9.559 -5.683 3.225 1.00 10.00 C ATOM 620 O ASP A 38 -10.025 -4.827 2.471 1.00 10.00 O ATOM 621 CB ASP A 38 -9.987 -4.739 5.505 1.00 10.00 C ATOM 622 CG ASP A 38 -11.184 -5.655 5.650 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.033 -6.772 6.195 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.294 -5.248 5.249 1.00 10.00 O ATOM 0 H ASP A 38 -8.176 -3.341 4.494 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.485 -6.178 5.007 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.538 -4.578 6.485 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.322 -3.767 5.144 1.00 10.00 H new ATOM 629 N LEU A 39 -9.556 -6.973 2.933 1.00 10.00 N ATOM 630 CA LEU A 39 -10.116 -7.471 1.685 1.00 10.00 C ATOM 631 C LEU A 39 -11.550 -7.945 1.878 1.00 10.00 C ATOM 632 O LEU A 39 -12.495 -7.308 1.400 1.00 10.00 O ATOM 633 CB LEU A 39 -9.242 -8.601 1.134 1.00 10.00 C ATOM 634 CG LEU A 39 -9.491 -8.972 -0.330 1.00 10.00 C ATOM 635 CD1 LEU A 39 -8.180 -9.333 -1.009 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.478 -10.125 -0.434 1.00 10.00 C ATOM 0 H LEU A 39 -9.172 -7.695 3.542 1.00 10.00 H new ATOM 0 HA LEU A 39 -10.132 -6.654 0.964 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.196 -8.315 1.245 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.397 -9.489 1.747 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.923 -8.108 -0.836 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.369 -9.595 -2.050 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.502 -8.481 -0.967 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.727 -10.182 -0.498 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.640 -10.372 -1.483 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -10.077 -10.995 0.086 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -11.425 -9.835 0.021 1.00 10.00 H new ATOM 648 N GLY A 40 -11.714 -9.060 2.574 1.00 10.00 N ATOM 649 CA GLY A 40 -13.038 -9.590 2.805 1.00 10.00 C ATOM 650 C GLY A 40 -13.046 -11.098 2.941 1.00 10.00 C ATOM 651 O GLY A 40 -12.099 -11.772 2.532 1.00 10.00 O ATOM 0 H GLY A 40 -10.954 -9.605 2.982 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.451 -9.145 3.710 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.690 -9.300 1.981 1.00 10.00 H new ATOM 655 N GLY A 41 -14.106 -11.628 3.536 1.00 10.00 N ATOM 656 CA GLY A 41 -14.221 -13.062 3.721 1.00 10.00 C ATOM 657 C GLY A 41 -13.539 -13.540 4.988 1.00 10.00 C ATOM 658 O GLY A 41 -13.860 -14.603 5.514 1.00 10.00 O ATOM 0 H GLY A 41 -14.893 -11.087 3.896 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.275 -13.338 3.753 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.784 -13.572 2.862 1.00 10.00 H new ATOM 662 N GLY A 42 -12.600 -12.745 5.480 1.00 10.00 N ATOM 663 CA GLY A 42 -11.875 -13.098 6.680 1.00 10.00 C ATOM 664 C GLY A 42 -10.383 -12.929 6.497 1.00 10.00 C ATOM 665 O GLY A 42 -9.625 -12.858 7.467 1.00 10.00 O ATOM 0 H GLY A 42 -12.327 -11.855 5.064 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.214 -12.475 7.508 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.095 -14.131 6.948 1.00 10.00 H new ATOM 669 N LYS A 43 -9.961 -12.863 5.244 1.00 10.00 N ATOM 670 CA LYS A 43 -8.557 -12.687 4.928 1.00 10.00 C ATOM 671 C LYS A 43 -8.322 -11.295 4.359 1.00 10.00 C ATOM 672 O LYS A 43 -9.125 -10.783 3.575 1.00 10.00 O ATOM 673 CB LYS A 43 -8.064 -13.768 3.959 1.00 10.00 C ATOM 674 CG LYS A 43 -8.822 -13.833 2.640 1.00 10.00 C ATOM 675 CD LYS A 43 -9.463 -15.200 2.422 1.00 10.00 C ATOM 676 CE LYS A 43 -8.457 -16.233 1.927 1.00 10.00 C ATOM 677 NZ LYS A 43 -7.423 -16.566 2.944 1.00 10.00 N ATOM 0 H LYS A 43 -10.573 -12.929 4.431 1.00 10.00 H new ATOM 0 HA LYS A 43 -7.982 -12.790 5.848 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.009 -13.594 3.748 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.135 -14.738 4.451 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.594 -13.063 2.626 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.140 -13.616 1.818 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.906 -15.545 3.356 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.274 -15.109 1.699 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -8.987 -17.142 1.643 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.968 -15.856 1.029 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -6.940 -17.446 2.673 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.729 -15.793 3.000 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -7.876 -16.692 3.872 1.00 10.00 H new ATOM 691 N ALA A 44 -7.232 -10.683 4.779 1.00 10.00 N ATOM 692 CA ALA A 44 -6.884 -9.350 4.335 1.00 10.00 C ATOM 693 C ALA A 44 -5.808 -9.403 3.263 1.00 10.00 C ATOM 694 O ALA A 44 -5.348 -10.480 2.879 1.00 10.00 O ATOM 695 CB ALA A 44 -6.415 -8.514 5.516 1.00 10.00 C ATOM 0 H ALA A 44 -6.567 -11.094 5.434 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.771 -8.886 3.903 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.155 -7.513 5.173 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.213 -8.448 6.255 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.540 -8.981 5.968 1.00 10.00 H new ATOM 701 N GLY A 45 -5.411 -8.239 2.784 1.00 10.00 N ATOM 702 CA GLY A 45 -4.389 -8.166 1.769 1.00 10.00 C ATOM 703 C GLY A 45 -3.234 -7.302 2.216 1.00 10.00 C ATOM 704 O GLY A 45 -3.403 -6.429 3.071 1.00 10.00 O ATOM 0 H GLY A 45 -5.782 -7.337 3.083 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -4.029 -9.169 1.540 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.814 -7.762 0.850 1.00 10.00 H new ATOM 708 N MET A 46 -2.066 -7.530 1.647 1.00 10.00 N ATOM 709 CA MET A 46 -0.887 -6.760 2.012 1.00 10.00 C ATOM 710 C MET A 46 -0.170 -6.264 0.769 1.00 10.00 C ATOM 711 O MET A 46 -0.424 -6.746 -0.335 1.00 10.00 O ATOM 712 CB MET A 46 0.052 -7.609 2.869 1.00 10.00 C ATOM 713 CG MET A 46 0.767 -8.703 2.096 1.00 10.00 C ATOM 714 SD MET A 46 1.263 -10.073 3.156 1.00 10.00 S ATOM 715 CE MET A 46 2.413 -10.929 2.089 1.00 10.00 C ATOM 0 H MET A 46 -1.906 -8.239 0.932 1.00 10.00 H new ATOM 0 HA MET A 46 -1.202 -5.894 2.594 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.795 -6.959 3.331 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.521 -8.063 3.678 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.113 -9.075 1.307 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.648 -8.285 1.609 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.440 -11.985 2.356 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.094 -10.825 1.052 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.408 -10.499 2.207 1.00 10.00 H new ATOM 725 N GLY A 47 0.705 -5.294 0.948 1.00 10.00 N ATOM 726 CA GLY A 47 1.449 -4.760 -0.165 1.00 10.00 C ATOM 727 C GLY A 47 2.594 -3.886 0.287 1.00 10.00 C ATOM 728 O GLY A 47 2.452 -3.113 1.235 1.00 10.00 O ATOM 0 H GLY A 47 0.914 -4.865 1.849 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.836 -5.580 -0.769 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.781 -4.181 -0.803 1.00 10.00 H new ATOM 732 N MET A 48 3.734 -4.026 -0.359 1.00 10.00 N ATOM 733 CA MET A 48 4.900 -3.229 -0.028 1.00 10.00 C ATOM 734 C MET A 48 5.408 -2.497 -1.261 1.00 10.00 C ATOM 735 O MET A 48 5.854 -3.118 -2.227 1.00 10.00 O ATOM 736 CB MET A 48 6.002 -4.116 0.554 1.00 10.00 C ATOM 737 CG MET A 48 7.199 -3.340 1.072 1.00 10.00 C ATOM 738 SD MET A 48 8.272 -4.342 2.122 1.00 10.00 S ATOM 739 CE MET A 48 8.608 -5.729 1.042 1.00 10.00 C ATOM 0 H MET A 48 3.879 -4.688 -1.121 1.00 10.00 H new ATOM 0 HA MET A 48 4.615 -2.491 0.722 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.586 -4.711 1.367 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.337 -4.815 -0.213 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.774 -2.960 0.228 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.850 -2.474 1.635 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.497 -6.255 1.391 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.757 -6.410 1.049 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.775 -5.368 0.027 1.00 10.00 H new ATOM 749 N VAL A 49 5.330 -1.177 -1.222 1.00 10.00 N ATOM 750 CA VAL A 49 5.776 -0.346 -2.329 1.00 10.00 C ATOM 751 C VAL A 49 7.066 0.377 -1.949 1.00 10.00 C ATOM 752 O VAL A 49 7.281 0.701 -0.780 1.00 10.00 O ATOM 753 CB VAL A 49 4.682 0.674 -2.737 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.367 1.635 -1.597 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.084 1.442 -3.989 1.00 10.00 C ATOM 0 H VAL A 49 4.959 -0.654 -0.429 1.00 10.00 H new ATOM 0 HA VAL A 49 5.968 -0.990 -3.187 1.00 10.00 H new ATOM 0 HB VAL A 49 3.778 0.108 -2.961 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.596 2.337 -1.915 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.011 1.072 -0.734 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.268 2.184 -1.325 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.297 2.149 -4.250 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.011 1.984 -3.802 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.232 0.743 -4.813 1.00 10.00 H new ATOM 765 N SER A 50 7.936 0.601 -2.919 1.00 10.00 N ATOM 766 CA SER A 50 9.188 1.281 -2.655 1.00 10.00 C ATOM 767 C SER A 50 8.972 2.792 -2.585 1.00 10.00 C ATOM 768 O SER A 50 8.024 3.325 -3.173 1.00 10.00 O ATOM 769 CB SER A 50 10.215 0.941 -3.738 1.00 10.00 C ATOM 770 OG SER A 50 9.979 1.686 -4.919 1.00 10.00 O ATOM 0 H SER A 50 7.798 0.323 -3.891 1.00 10.00 H new ATOM 0 HA SER A 50 9.570 0.942 -1.692 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.219 1.148 -3.369 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.172 -0.125 -3.962 1.00 10.00 H new ATOM 0 HG SER A 50 9.783 1.073 -5.659 1.00 10.00 H new ATOM 776 N GLU A 51 9.860 3.480 -1.874 1.00 10.00 N ATOM 777 CA GLU A 51 9.778 4.930 -1.726 1.00 10.00 C ATOM 778 C GLU A 51 10.075 5.637 -3.050 1.00 10.00 C ATOM 779 O GLU A 51 9.818 6.833 -3.203 1.00 10.00 O ATOM 780 CB GLU A 51 10.752 5.397 -0.636 1.00 10.00 C ATOM 781 CG GLU A 51 10.504 6.818 -0.151 1.00 10.00 C ATOM 782 CD GLU A 51 11.402 7.203 1.007 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.617 7.391 0.789 1.00 10.00 O ATOM 784 OE2 GLU A 51 10.894 7.331 2.140 1.00 10.00 O ATOM 0 H GLU A 51 10.649 3.054 -1.388 1.00 10.00 H new ATOM 0 HA GLU A 51 8.761 5.191 -1.431 1.00 10.00 H new ATOM 0 HB2 GLU A 51 10.684 4.717 0.213 1.00 10.00 H new ATOM 0 HB3 GLU A 51 11.770 5.327 -1.019 1.00 10.00 H new ATOM 0 HG2 GLU A 51 10.663 7.513 -0.976 1.00 10.00 H new ATOM 0 HG3 GLU A 51 9.462 6.918 0.153 1.00 10.00 H new ATOM 791 N LYS A 52 10.603 4.894 -4.011 1.00 10.00 N ATOM 792 CA LYS A 52 10.932 5.454 -5.312 1.00 10.00 C ATOM 793 C LYS A 52 9.805 5.209 -6.312 1.00 10.00 C ATOM 794 O LYS A 52 9.619 5.986 -7.247 1.00 10.00 O ATOM 795 CB LYS A 52 12.238 4.855 -5.830 1.00 10.00 C ATOM 796 CG LYS A 52 13.466 5.337 -5.079 1.00 10.00 C ATOM 797 CD LYS A 52 14.727 4.702 -5.633 1.00 10.00 C ATOM 798 CE LYS A 52 15.975 5.335 -5.041 1.00 10.00 C ATOM 799 NZ LYS A 52 17.216 4.717 -5.568 1.00 10.00 N ATOM 0 H LYS A 52 10.813 3.901 -3.914 1.00 10.00 H new ATOM 0 HA LYS A 52 11.058 6.531 -5.198 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.183 3.769 -5.761 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.348 5.102 -6.886 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.539 6.422 -5.152 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.368 5.095 -4.021 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.722 3.633 -5.418 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.743 4.809 -6.718 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.980 6.402 -5.262 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.953 5.234 -3.956 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 18.043 5.178 -5.138 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.225 3.703 -5.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.251 4.835 -6.601 1.00 10.00 H new ATOM 813 N ASP A 53 9.051 4.135 -6.115 1.00 10.00 N ATOM 814 CA ASP A 53 7.950 3.814 -7.013 1.00 10.00 C ATOM 815 C ASP A 53 6.700 4.591 -6.626 1.00 10.00 C ATOM 816 O ASP A 53 5.880 4.931 -7.477 1.00 10.00 O ATOM 817 CB ASP A 53 7.660 2.309 -7.009 1.00 10.00 C ATOM 818 CG ASP A 53 8.628 1.528 -7.875 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.645 1.741 -9.107 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.383 0.695 -7.329 1.00 10.00 O ATOM 0 H ASP A 53 9.180 3.476 -5.347 1.00 10.00 H new ATOM 0 HA ASP A 53 8.244 4.104 -8.022 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.710 1.936 -5.986 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.643 2.138 -7.361 1.00 10.00 H new ATOM 825 N ALA A 54 6.567 4.879 -5.339 1.00 10.00 N ATOM 826 CA ALA A 54 5.422 5.621 -4.834 1.00 10.00 C ATOM 827 C ALA A 54 5.591 7.122 -5.065 1.00 10.00 C ATOM 828 O ALA A 54 6.526 7.735 -4.543 1.00 10.00 O ATOM 829 CB ALA A 54 5.223 5.332 -3.354 1.00 10.00 C ATOM 0 H ALA A 54 7.241 4.608 -4.623 1.00 10.00 H new ATOM 0 HA ALA A 54 4.538 5.295 -5.382 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.363 5.892 -2.986 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.049 4.265 -3.212 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.114 5.631 -2.802 1.00 10.00 H new ATOM 835 N PRO A 55 4.697 7.726 -5.872 1.00 10.00 N ATOM 836 CA PRO A 55 4.733 9.167 -6.167 1.00 10.00 C ATOM 837 C PRO A 55 4.534 10.022 -4.915 1.00 10.00 C ATOM 838 O PRO A 55 4.030 9.541 -3.899 1.00 10.00 O ATOM 839 CB PRO A 55 3.562 9.371 -7.135 1.00 10.00 C ATOM 840 CG PRO A 55 3.243 8.019 -7.666 1.00 10.00 C ATOM 841 CD PRO A 55 3.594 7.052 -6.576 1.00 10.00 C ATOM 0 HA PRO A 55 5.698 9.469 -6.574 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.702 9.805 -6.624 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.833 10.054 -7.940 1.00 10.00 H new ATOM 0 HG2 PRO A 55 2.188 7.943 -7.930 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.814 7.811 -8.571 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.748 6.866 -5.915 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.903 6.087 -6.978 1.00 10.00 H new ATOM 849 N LYS A 56 4.907 11.293 -5.006 1.00 10.00 N ATOM 850 CA LYS A 56 4.788 12.222 -3.883 1.00 10.00 C ATOM 851 C LYS A 56 3.344 12.345 -3.402 1.00 10.00 C ATOM 852 O LYS A 56 3.073 12.286 -2.204 1.00 10.00 O ATOM 853 CB LYS A 56 5.294 13.609 -4.281 1.00 10.00 C ATOM 854 CG LYS A 56 6.766 13.665 -4.644 1.00 10.00 C ATOM 855 CD LYS A 56 7.173 15.083 -5.004 1.00 10.00 C ATOM 856 CE LYS A 56 8.574 15.143 -5.583 1.00 10.00 C ATOM 857 NZ LYS A 56 8.939 16.527 -5.979 1.00 10.00 N ATOM 0 H LYS A 56 5.298 11.708 -5.852 1.00 10.00 H new ATOM 0 HA LYS A 56 5.395 11.821 -3.071 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.710 13.964 -5.130 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.110 14.298 -3.457 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.367 13.310 -3.807 1.00 10.00 H new ATOM 0 HG3 LYS A 56 6.965 12.999 -5.484 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.465 15.491 -5.725 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.121 15.712 -4.115 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.289 14.773 -4.848 1.00 10.00 H new ATOM 0 HE3 LYS A 56 8.639 14.486 -6.450 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 9.902 16.533 -6.371 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 8.270 16.870 -6.698 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 8.900 17.148 -5.146 1.00 10.00 H new ATOM 871 N GLU A 57 2.424 12.512 -4.344 1.00 10.00 N ATOM 872 CA GLU A 57 1.010 12.657 -4.016 1.00 10.00 C ATOM 873 C GLU A 57 0.490 11.442 -3.261 1.00 10.00 C ATOM 874 O GLU A 57 -0.129 11.574 -2.205 1.00 10.00 O ATOM 875 CB GLU A 57 0.188 12.865 -5.282 1.00 10.00 C ATOM 876 CG GLU A 57 -0.596 14.163 -5.288 1.00 10.00 C ATOM 877 CD GLU A 57 -1.672 14.174 -6.346 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.326 14.131 -7.543 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.865 14.221 -5.987 1.00 10.00 O ATOM 0 H GLU A 57 2.631 12.550 -5.342 1.00 10.00 H new ATOM 0 HA GLU A 57 0.909 13.531 -3.373 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.854 12.848 -6.145 1.00 10.00 H new ATOM 0 HB3 GLU A 57 -0.504 12.031 -5.397 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.050 14.316 -4.309 1.00 10.00 H new ATOM 0 HG3 GLU A 57 0.086 14.997 -5.457 1.00 10.00 H new ATOM 886 N LEU A 58 0.765 10.260 -3.796 1.00 10.00 N ATOM 887 CA LEU A 58 0.318 9.022 -3.173 1.00 10.00 C ATOM 888 C LEU A 58 1.030 8.816 -1.840 1.00 10.00 C ATOM 889 O LEU A 58 0.476 8.227 -0.913 1.00 10.00 O ATOM 890 CB LEU A 58 0.544 7.834 -4.115 1.00 10.00 C ATOM 891 CG LEU A 58 -0.094 7.980 -5.507 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.107 6.645 -6.236 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.505 8.542 -5.407 1.00 10.00 C ATOM 0 H LEU A 58 1.295 10.133 -4.658 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.752 9.092 -2.977 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.617 7.685 -4.237 1.00 10.00 H new ATOM 0 HB3 LEU A 58 0.149 6.935 -3.643 1.00 10.00 H new ATOM 0 HG LEU A 58 0.512 8.682 -6.079 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.562 6.771 -7.218 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.915 6.285 -6.354 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.683 5.921 -5.659 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -1.931 8.634 -6.406 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.122 7.871 -4.810 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.473 9.523 -4.934 1.00 10.00 H new ATOM 905 N LEU A 59 2.258 9.319 -1.747 1.00 10.00 N ATOM 906 CA LEU A 59 3.036 9.221 -0.518 1.00 10.00 C ATOM 907 C LEU A 59 2.381 10.064 0.567 1.00 10.00 C ATOM 908 O LEU A 59 2.308 9.657 1.729 1.00 10.00 O ATOM 909 CB LEU A 59 4.473 9.700 -0.753 1.00 10.00 C ATOM 910 CG LEU A 59 5.408 9.565 0.449 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.866 8.124 0.609 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.600 10.500 0.303 1.00 10.00 C ATOM 0 H LEU A 59 2.735 9.799 -2.510 1.00 10.00 H new ATOM 0 HA LEU A 59 3.066 8.178 -0.201 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.895 9.138 -1.586 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.445 10.747 -1.056 1.00 10.00 H new ATOM 0 HG LEU A 59 4.861 9.849 1.348 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.531 8.047 1.469 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.999 7.481 0.762 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.397 7.809 -0.289 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.256 10.391 1.167 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.150 10.249 -0.604 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.249 11.530 0.241 1.00 10.00 H new ATOM 924 N GLN A 60 1.895 11.237 0.169 1.00 10.00 N ATOM 925 CA GLN A 60 1.223 12.151 1.082 1.00 10.00 C ATOM 926 C GLN A 60 -0.082 11.531 1.562 1.00 10.00 C ATOM 927 O GLN A 60 -0.532 11.776 2.682 1.00 10.00 O ATOM 928 CB GLN A 60 0.950 13.487 0.389 1.00 10.00 C ATOM 929 CG GLN A 60 0.617 14.620 1.347 1.00 10.00 C ATOM 930 CD GLN A 60 1.759 14.936 2.292 1.00 10.00 C ATOM 931 OE1 GLN A 60 1.818 14.431 3.412 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.674 15.780 1.845 1.00 10.00 N ATOM 0 H GLN A 60 1.956 11.577 -0.791 1.00 10.00 H new ATOM 0 HA GLN A 60 1.868 12.332 1.941 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.825 13.766 -0.199 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.123 13.360 -0.310 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.365 15.513 0.775 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.267 14.353 1.927 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.588 16.177 0.909 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.466 16.034 2.436 1.00 10.00 H new ATOM 941 N MET A 61 -0.697 10.734 0.695 1.00 10.00 N ATOM 942 CA MET A 61 -1.935 10.054 1.036 1.00 10.00 C ATOM 943 C MET A 61 -1.643 8.967 2.062 1.00 10.00 C ATOM 944 O MET A 61 -2.432 8.726 2.975 1.00 10.00 O ATOM 945 CB MET A 61 -2.593 9.455 -0.210 1.00 10.00 C ATOM 946 CG MET A 61 -3.003 10.493 -1.244 1.00 10.00 C ATOM 947 SD MET A 61 -3.946 9.788 -2.611 1.00 10.00 S ATOM 948 CE MET A 61 -5.543 9.546 -1.833 1.00 10.00 C ATOM 0 H MET A 61 -0.356 10.545 -0.248 1.00 10.00 H new ATOM 0 HA MET A 61 -2.632 10.777 1.461 1.00 10.00 H new ATOM 0 HB2 MET A 61 -1.902 8.749 -0.671 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.474 8.888 0.092 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.599 11.266 -0.759 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.110 10.979 -1.638 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.111 8.802 -2.392 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.400 9.200 -0.809 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.090 10.489 -1.825 1.00 10.00 H new ATOM 958 N LEU A 62 -0.483 8.332 1.915 1.00 10.00 N ATOM 959 CA LEU A 62 -0.053 7.284 2.833 1.00 10.00 C ATOM 960 C LEU A 62 0.235 7.871 4.208 1.00 10.00 C ATOM 961 O LEU A 62 0.174 7.173 5.216 1.00 10.00 O ATOM 962 CB LEU A 62 1.192 6.574 2.293 1.00 10.00 C ATOM 963 CG LEU A 62 0.936 5.548 1.189 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.246 5.106 0.562 1.00 10.00 C ATOM 965 CD2 LEU A 62 0.185 4.351 1.747 1.00 10.00 C ATOM 0 H LEU A 62 0.179 8.528 1.164 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.858 6.555 2.923 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.882 7.327 1.913 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.692 6.073 3.122 1.00 10.00 H new ATOM 0 HG LEU A 62 0.324 6.014 0.417 1.00 10.00 H new ATOM 0 HD11 LEU A 62 2.046 4.376 -0.222 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.753 5.970 0.132 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.881 4.655 1.325 1.00 10.00 H new ATOM 0 HD21 LEU A 62 0.009 3.628 0.950 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.777 3.886 2.535 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.770 4.679 2.156 1.00 10.00 H new ATOM 977 N GLU A 63 0.546 9.164 4.232 1.00 10.00 N ATOM 978 CA GLU A 63 0.827 9.870 5.474 1.00 10.00 C ATOM 979 C GLU A 63 -0.429 9.943 6.335 1.00 10.00 C ATOM 980 O GLU A 63 -0.350 10.042 7.559 1.00 10.00 O ATOM 981 CB GLU A 63 1.326 11.289 5.188 1.00 10.00 C ATOM 982 CG GLU A 63 2.651 11.347 4.454 1.00 10.00 C ATOM 983 CD GLU A 63 3.830 11.208 5.385 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.146 12.178 6.096 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.447 10.125 5.420 1.00 10.00 O ATOM 0 H GLU A 63 0.610 9.746 3.397 1.00 10.00 H new ATOM 0 HA GLU A 63 1.603 9.320 6.007 1.00 10.00 H new ATOM 0 HB2 GLU A 63 0.574 11.814 4.599 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.423 11.825 6.132 1.00 10.00 H new ATOM 0 HG2 GLU A 63 2.685 10.553 3.708 1.00 10.00 H new ATOM 0 HG3 GLU A 63 2.725 12.293 3.917 1.00 10.00 H new ATOM 992 N LYS A 64 -1.587 9.892 5.684 1.00 10.00 N ATOM 993 CA LYS A 64 -2.866 9.963 6.376 1.00 10.00 C ATOM 994 C LYS A 64 -3.170 8.650 7.089 1.00 10.00 C ATOM 995 O LYS A 64 -3.700 8.645 8.199 1.00 10.00 O ATOM 996 CB LYS A 64 -3.994 10.291 5.390 1.00 10.00 C ATOM 997 CG LYS A 64 -3.720 11.521 4.537 1.00 10.00 C ATOM 998 CD LYS A 64 -4.891 11.841 3.619 1.00 10.00 C ATOM 999 CE LYS A 64 -4.555 12.976 2.662 1.00 10.00 C ATOM 1000 NZ LYS A 64 -5.754 13.461 1.925 1.00 10.00 N ATOM 0 H LYS A 64 -1.664 9.801 4.671 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.802 10.758 7.119 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -4.154 9.434 4.736 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.919 10.444 5.947 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -3.520 12.375 5.184 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.823 11.357 3.939 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -5.162 10.952 3.050 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.760 12.114 4.218 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -4.115 13.802 3.220 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -3.804 12.637 1.948 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -5.479 14.233 1.285 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -6.160 12.680 1.371 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -6.461 13.809 2.603 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.815 7.540 6.451 1.00 10.00 N ATOM 1015 CA GLN A 65 -3.066 6.220 7.018 1.00 10.00 C ATOM 1016 C GLN A 65 -1.825 5.660 7.713 1.00 10.00 C ATOM 1017 O GLN A 65 -1.790 4.485 8.095 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.537 5.254 5.928 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.987 5.458 5.509 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.980 4.987 6.558 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.707 5.018 7.759 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -7.146 4.549 6.112 1.00 10.00 N ATOM 0 H GLN A 65 -2.353 7.528 5.542 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.850 6.327 7.767 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.897 5.368 5.053 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.412 4.231 6.283 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -5.155 6.516 5.306 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -5.169 4.922 4.578 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -7.337 4.538 5.110 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.854 4.223 6.770 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.809 6.503 7.869 1.00 10.00 N ATOM 1032 CA LYS A 66 0.424 6.101 8.528 1.00 10.00 C ATOM 1033 C LYS A 66 0.166 5.901 10.013 1.00 10.00 C ATOM 1034 O LYS A 66 -0.131 6.853 10.741 1.00 10.00 O ATOM 1035 CB LYS A 66 1.518 7.149 8.303 1.00 10.00 C ATOM 1036 CG LYS A 66 2.908 6.675 8.685 1.00 10.00 C ATOM 1037 CD LYS A 66 3.989 7.543 8.055 1.00 10.00 C ATOM 1038 CE LYS A 66 3.932 8.977 8.561 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.018 9.819 7.984 1.00 10.00 N ATOM 0 H LYS A 66 -0.818 7.471 7.546 1.00 10.00 H new ATOM 0 HA LYS A 66 0.768 5.159 8.100 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.519 7.439 7.252 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.277 8.042 8.880 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.013 6.692 9.770 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.040 5.641 8.368 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.969 7.119 8.275 1.00 10.00 H new ATOM 0 HD3 LYS A 66 3.875 7.536 6.971 1.00 10.00 H new ATOM 0 HE2 LYS A 66 2.965 9.412 8.309 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.010 8.981 9.648 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.793 10.824 8.130 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.918 9.594 8.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.102 9.627 6.965 1.00 10.00 H new ATOM 1053 N LYS A 67 0.255 4.658 10.460 1.00 10.00 N ATOM 1054 CA LYS A 67 0.001 4.333 11.858 1.00 10.00 C ATOM 1055 C LYS A 67 1.135 3.492 12.426 1.00 10.00 C ATOM 1056 O LYS A 67 2.267 3.555 11.938 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.334 3.589 11.992 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.534 4.402 11.527 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.773 3.538 11.361 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.923 4.327 10.751 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.127 3.484 10.519 1.00 10.00 N ATOM 0 H LYS A 67 0.501 3.858 9.877 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.055 5.261 12.426 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.285 2.666 11.415 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.479 3.306 13.034 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.737 5.194 12.248 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.299 4.886 10.579 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.540 2.683 10.727 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.075 3.143 12.331 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.183 5.154 11.411 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.600 4.763 9.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.865 4.052 10.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.876 2.680 9.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.483 3.129 11.429 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -7.902 -18.323 -0.430 1.00 10.00 N ATOM 1077 CA GLY B 3 -8.025 -17.819 -1.783 1.00 10.00 C ATOM 1078 C GLY B 3 -7.269 -16.522 -1.986 1.00 10.00 C ATOM 1079 O GLY B 3 -6.272 -16.483 -2.708 1.00 10.00 O ATOM 0 HA2 GLY B 3 -7.652 -18.567 -2.482 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -9.078 -17.663 -2.016 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.739 -15.458 -1.352 1.00 10.00 N ATOM 1084 CA GLU B 4 -7.090 -14.162 -1.469 1.00 10.00 C ATOM 1085 C GLU B 4 -5.910 -14.056 -0.507 1.00 10.00 C ATOM 1086 O GLU B 4 -6.067 -14.218 0.704 1.00 10.00 O ATOM 1087 CB GLU B 4 -8.088 -13.034 -1.207 1.00 10.00 C ATOM 1088 CG GLU B 4 -9.213 -12.967 -2.224 1.00 10.00 C ATOM 1089 CD GLU B 4 -8.719 -12.727 -3.633 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -8.492 -13.718 -4.362 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -8.567 -11.554 -4.023 1.00 10.00 O ATOM 0 H GLU B 4 -8.565 -15.467 -0.753 1.00 10.00 H new ATOM 0 HA GLU B 4 -6.714 -14.065 -2.487 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -8.516 -13.163 -0.213 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -7.556 -12.083 -1.204 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -9.777 -13.899 -2.196 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -9.901 -12.169 -1.945 1.00 10.00 H new ATOM 1098 N GLY B 5 -4.733 -13.795 -1.061 1.00 10.00 N ATOM 1099 CA GLY B 5 -3.534 -13.669 -0.255 1.00 10.00 C ATOM 1100 C GLY B 5 -2.285 -13.673 -1.109 1.00 10.00 C ATOM 1101 O GLY B 5 -1.930 -14.697 -1.689 1.00 10.00 O ATOM 0 H GLY B 5 -4.587 -13.667 -2.062 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -3.578 -12.745 0.322 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -3.488 -14.490 0.461 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.627 -12.528 -1.205 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.416 -12.415 -2.009 1.00 10.00 C ATOM 1107 C GLU B 6 0.822 -12.710 -1.175 1.00 10.00 C ATOM 1108 O GLU B 6 0.753 -12.769 0.052 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.294 -11.023 -2.641 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.419 -9.873 -1.650 1.00 10.00 C ATOM 1111 CD GLU B 6 -1.855 -9.460 -1.421 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.479 -8.926 -2.360 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.377 -9.687 -0.310 1.00 10.00 O ATOM 0 H GLU B 6 -1.908 -11.666 -0.739 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.489 -13.154 -2.807 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.669 -10.949 -3.146 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.064 -10.915 -3.405 1.00 10.00 H new ATOM 0 HG2 GLU B 6 0.027 -10.166 -0.700 1.00 10.00 H new ATOM 0 HG3 GLU B 6 0.148 -9.017 -2.018 1.00 10.00 H new ATOM 1120 N GLU B 7 1.946 -12.892 -1.856 1.00 10.00 N ATOM 1121 CA GLU B 7 3.216 -13.178 -1.206 1.00 10.00 C ATOM 1122 C GLU B 7 4.264 -12.174 -1.664 1.00 10.00 C ATOM 1123 O GLU B 7 4.383 -11.891 -2.858 1.00 10.00 O ATOM 1124 CB GLU B 7 3.679 -14.597 -1.532 1.00 10.00 C ATOM 1125 CG GLU B 7 2.676 -15.669 -1.150 1.00 10.00 C ATOM 1126 CD GLU B 7 3.025 -17.016 -1.735 1.00 10.00 C ATOM 1127 OE1 GLU B 7 3.659 -17.831 -1.031 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.667 -17.270 -2.901 1.00 10.00 O ATOM 0 H GLU B 7 2.002 -12.845 -2.873 1.00 10.00 H new ATOM 0 HA GLU B 7 3.083 -13.097 -0.127 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.883 -14.667 -2.601 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.619 -14.791 -1.015 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.629 -15.748 -0.064 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.684 -15.373 -1.491 1.00 10.00 H new ATOM 1135 N GLU B 8 5.021 -11.643 -0.722 1.00 10.00 N ATOM 1136 CA GLU B 8 6.048 -10.659 -1.030 1.00 10.00 C ATOM 1137 C GLU B 8 7.424 -11.184 -0.641 1.00 10.00 C ATOM 1138 O GLU B 8 7.594 -12.378 -0.389 1.00 10.00 O ATOM 1139 CB GLU B 8 5.764 -9.352 -0.291 1.00 10.00 C ATOM 1140 CG GLU B 8 4.377 -8.798 -0.555 1.00 10.00 C ATOM 1141 CD GLU B 8 4.269 -7.335 -0.202 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.033 -6.523 -1.120 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.429 -6.993 0.992 1.00 10.00 O ATOM 0 H GLU B 8 4.945 -11.876 0.268 1.00 10.00 H new ATOM 0 HA GLU B 8 6.035 -10.472 -2.104 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.884 -9.516 0.780 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.506 -8.609 -0.585 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.127 -8.935 -1.607 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.646 -9.364 0.022 1.00 10.00 H new ATOM 1150 N GLY B 9 8.403 -10.294 -0.603 1.00 10.00 N ATOM 1151 CA GLY B 9 9.743 -10.691 -0.237 1.00 10.00 C ATOM 1152 C GLY B 9 10.791 -9.809 -0.870 1.00 10.00 C ATOM 1153 O GLY B 9 11.393 -10.173 -1.880 1.00 10.00 O ATOM 0 H GLY B 9 8.292 -9.303 -0.819 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.847 -10.656 0.847 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.909 -11.725 -0.540 1.00 10.00 H new ATOM 1157 N GLU B 10 10.996 -8.641 -0.289 1.00 10.00 N ATOM 1158 CA GLU B 10 11.990 -7.709 -0.796 1.00 10.00 C ATOM 1159 C GLU B 10 13.226 -7.743 0.088 1.00 10.00 C ATOM 1160 O GLU B 10 13.145 -8.094 1.268 1.00 10.00 O ATOM 1161 CB GLU B 10 11.429 -6.287 -0.852 1.00 10.00 C ATOM 1162 CG GLU B 10 11.069 -5.820 -2.252 1.00 10.00 C ATOM 1163 CD GLU B 10 10.144 -6.783 -2.967 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.640 -7.598 -3.773 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.922 -6.730 -2.724 1.00 10.00 O ATOM 0 H GLU B 10 10.489 -8.314 0.533 1.00 10.00 H new ATOM 0 HA GLU B 10 12.259 -8.011 -1.808 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.541 -6.233 -0.222 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.163 -5.601 -0.429 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.593 -4.841 -2.193 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.981 -5.697 -2.836 1.00 10.00 H new ATOM 1172 N GLU B 11 14.362 -7.390 -0.482 1.00 10.00 N ATOM 1173 CA GLU B 11 15.606 -7.375 0.264 1.00 10.00 C ATOM 1174 C GLU B 11 15.933 -5.955 0.702 1.00 10.00 C ATOM 1175 O GLU B 11 16.150 -5.069 -0.130 1.00 10.00 O ATOM 1176 CB GLU B 11 16.746 -7.953 -0.578 1.00 10.00 C ATOM 1177 CG GLU B 11 17.905 -8.470 0.255 1.00 10.00 C ATOM 1178 CD GLU B 11 17.439 -9.294 1.438 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.519 -8.796 2.581 1.00 10.00 O ATOM 1180 OE2 GLU B 11 16.983 -10.437 1.228 1.00 10.00 O ATOM 0 H GLU B 11 14.450 -7.110 -1.459 1.00 10.00 H new ATOM 0 HA GLU B 11 15.489 -7.998 1.151 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.359 -8.765 -1.193 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.111 -7.184 -1.259 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.559 -9.076 -0.372 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.497 -7.628 0.612 1.00 10.00 H new ATOM 1187 N TYR B 12 15.949 -5.739 2.007 1.00 10.00 N ATOM 1188 CA TYR B 12 16.242 -4.425 2.554 1.00 10.00 C ATOM 1189 C TYR B 12 17.747 -4.239 2.700 1.00 10.00 C ATOM 1190 O TYR B 12 18.480 -5.208 2.917 1.00 10.00 O ATOM 1191 CB TYR B 12 15.552 -4.246 3.908 1.00 10.00 C ATOM 1192 CG TYR B 12 15.156 -2.815 4.197 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.109 -1.805 4.234 1.00 10.00 C ATOM 1194 CD2 TYR B 12 13.830 -2.479 4.434 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.751 -0.500 4.501 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.464 -1.174 4.701 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.428 -0.190 4.734 1.00 10.00 C ATOM 1198 OH TYR B 12 14.068 1.108 5.004 1.00 10.00 O ATOM 0 H TYR B 12 15.762 -6.457 2.707 1.00 10.00 H new ATOM 0 HA TYR B 12 15.861 -3.669 1.867 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.662 -4.875 3.940 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.218 -4.597 4.696 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.146 -2.045 4.051 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.073 -3.249 4.409 1.00 10.00 H new ATOM 0 HE1 TYR B 12 16.503 0.275 4.527 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.429 -0.926 4.883 1.00 10.00 H new ATOM 0 HH TYR B 12 13.576 1.142 5.851 1.00 10.00 H new TER 1208 TYR B 12