USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 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 16 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 2.4 USER MOD Single : A 2 SER OG : rot -131:sc= 1.32 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -163:sc= -0.0397 (180deg=-0.386) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.17) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.18) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 2.39 (180deg=2.06) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.302 F(o=-0.92,f=-0.3) USER MOD Single : A 21 SER OG : rot -85:sc= 1.19 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+ 159:sc= 1.23 (180deg=1.2) USER MOD Single : A 34 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.0121 (180deg=-0.488) USER MOD Single : A 46 MET CE :methyl 143:sc= -0.222 (180deg=-1.27) USER MOD Single : A 48 MET CE :methyl 160:sc= -0.725 (180deg=-1.38) USER MOD Single : A 50 SER OG : rot -105:sc= 1.08 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 :FLIP amide:sc= -0.0756 F(o=-0.84,f=-0.076) USER MOD Single : A 61 MET CE :methyl 178:sc= -1.5 (180deg=-1.55) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.87) USER MOD Single : A 66 LYS NZ :NH3+ -132:sc= 1.25 (180deg=-0.472!) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.992) USER MOD Single : B 12 TYR OH : rot -121:sc= 2.4 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.555 3.332 -4.809 1.00 10.00 N ATOM 9 CA SER A 2 -16.911 4.039 -3.716 1.00 10.00 C ATOM 10 C SER A 2 -16.616 5.478 -4.118 1.00 10.00 C ATOM 11 O SER A 2 -16.039 5.733 -5.176 1.00 10.00 O ATOM 12 CB SER A 2 -15.613 3.332 -3.309 1.00 10.00 C ATOM 13 OG SER A 2 -14.957 4.023 -2.253 1.00 10.00 O ATOM 0 HA SER A 2 -17.589 4.043 -2.863 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.835 2.312 -2.996 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.948 3.264 -4.170 1.00 10.00 H new ATOM 0 HG SER A 2 -14.011 4.142 -2.478 1.00 10.00 H new ATOM 19 N HIS A 3 -17.019 6.417 -3.276 1.00 10.00 N ATOM 20 CA HIS A 3 -16.787 7.827 -3.542 1.00 10.00 C ATOM 21 C HIS A 3 -15.658 8.349 -2.665 1.00 10.00 C ATOM 22 O HIS A 3 -15.607 9.532 -2.328 1.00 10.00 O ATOM 23 CB HIS A 3 -18.059 8.634 -3.300 1.00 10.00 C ATOM 24 CG HIS A 3 -18.984 8.655 -4.476 1.00 10.00 C ATOM 25 ND1 HIS A 3 -18.864 9.599 -5.472 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.023 7.836 -4.768 1.00 10.00 C ATOM 27 CE1 HIS A 3 -19.825 9.332 -6.342 1.00 10.00 C ATOM 28 NE2 HIS A 3 -20.550 8.274 -5.954 1.00 10.00 N ATOM 0 H HIS A 3 -17.509 6.227 -2.402 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.500 7.939 -4.588 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.586 8.219 -2.441 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.787 9.658 -3.043 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.369 6.999 -4.179 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -20.002 9.894 -7.247 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.345 7.870 -6.449 1.00 10.00 H new ATOM 36 N MET A 4 -14.760 7.449 -2.289 1.00 10.00 N ATOM 37 CA MET A 4 -13.615 7.801 -1.460 1.00 10.00 C ATOM 38 C MET A 4 -12.395 8.064 -2.340 1.00 10.00 C ATOM 39 O MET A 4 -12.532 8.311 -3.540 1.00 10.00 O ATOM 40 CB MET A 4 -13.316 6.682 -0.455 1.00 10.00 C ATOM 41 CG MET A 4 -14.434 6.448 0.550 1.00 10.00 C ATOM 42 SD MET A 4 -14.694 7.859 1.646 1.00 10.00 S ATOM 43 CE MET A 4 -13.175 7.844 2.603 1.00 10.00 C ATOM 0 H MET A 4 -14.803 6.463 -2.547 1.00 10.00 H new ATOM 0 HA MET A 4 -13.851 8.708 -0.904 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.130 5.757 -1.000 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.400 6.925 0.084 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.359 6.234 0.015 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.201 5.567 1.148 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.306 8.445 3.503 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.931 6.819 2.883 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.364 8.259 2.005 1.00 10.00 H new ATOM 53 N ALA A 5 -11.212 8.029 -1.747 1.00 10.00 N ATOM 54 CA ALA A 5 -9.984 8.256 -2.487 1.00 10.00 C ATOM 55 C ALA A 5 -9.315 6.931 -2.826 1.00 10.00 C ATOM 56 O ALA A 5 -9.200 6.051 -1.974 1.00 10.00 O ATOM 57 CB ALA A 5 -9.050 9.148 -1.685 1.00 10.00 C ATOM 0 H ALA A 5 -11.078 7.845 -0.753 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.223 8.761 -3.423 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.131 9.313 -2.248 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.535 10.105 -1.495 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.813 8.667 -0.736 1.00 10.00 H new ATOM 63 N THR A 6 -8.883 6.788 -4.066 1.00 10.00 N ATOM 64 CA THR A 6 -8.245 5.562 -4.508 1.00 10.00 C ATOM 65 C THR A 6 -6.732 5.735 -4.625 1.00 10.00 C ATOM 66 O THR A 6 -6.248 6.725 -5.181 1.00 10.00 O ATOM 67 CB THR A 6 -8.820 5.107 -5.858 1.00 10.00 C ATOM 68 OG1 THR A 6 -10.033 5.828 -6.135 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.109 3.615 -5.844 1.00 10.00 C ATOM 0 H THR A 6 -8.963 7.507 -4.785 1.00 10.00 H new ATOM 0 HA THR A 6 -8.449 4.798 -3.757 1.00 10.00 H new ATOM 0 HB THR A 6 -8.083 5.313 -6.635 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.397 5.537 -6.997 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.515 3.314 -6.810 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.186 3.067 -5.652 1.00 10.00 H new ATOM 0 HG23 THR A 6 -9.833 3.392 -5.060 1.00 10.00 H new ATOM 77 N VAL A 7 -5.990 4.773 -4.089 1.00 10.00 N ATOM 78 CA VAL A 7 -4.536 4.809 -4.129 1.00 10.00 C ATOM 79 C VAL A 7 -4.006 3.655 -4.980 1.00 10.00 C ATOM 80 O VAL A 7 -4.506 2.533 -4.898 1.00 10.00 O ATOM 81 CB VAL A 7 -3.925 4.716 -2.711 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.448 5.084 -2.735 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.678 5.612 -1.739 1.00 10.00 C ATOM 0 H VAL A 7 -6.376 3.954 -3.619 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.244 5.762 -4.569 1.00 10.00 H new ATOM 0 HB VAL A 7 -4.018 3.685 -2.371 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.039 5.012 -1.727 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.913 4.400 -3.394 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.333 6.104 -3.101 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.231 5.531 -0.748 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.621 6.646 -2.079 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.722 5.302 -1.693 1.00 10.00 H new ATOM 93 N LYS A 8 -3.009 3.939 -5.806 1.00 10.00 N ATOM 94 CA LYS A 8 -2.416 2.923 -6.663 1.00 10.00 C ATOM 95 C LYS A 8 -1.027 2.557 -6.163 1.00 10.00 C ATOM 96 O LYS A 8 -0.133 3.403 -6.098 1.00 10.00 O ATOM 97 CB LYS A 8 -2.342 3.411 -8.107 1.00 10.00 C ATOM 98 CG LYS A 8 -3.680 3.395 -8.825 1.00 10.00 C ATOM 99 CD LYS A 8 -3.494 3.437 -10.330 1.00 10.00 C ATOM 100 CE LYS A 8 -4.817 3.282 -11.063 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.616 3.031 -12.512 1.00 10.00 N ATOM 0 H LYS A 8 -2.594 4.866 -5.901 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.049 2.036 -6.630 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.945 4.426 -8.118 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.637 2.787 -8.657 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -4.233 2.497 -8.549 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.278 4.249 -8.506 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.029 4.381 -10.613 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.813 2.642 -10.635 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -5.381 2.458 -10.626 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.415 4.184 -10.929 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.492 2.650 -12.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -4.369 3.922 -12.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.846 2.344 -12.642 1.00 10.00 H new ATOM 115 N PHE A 9 -0.853 1.296 -5.816 1.00 10.00 N ATOM 116 CA PHE A 9 0.415 0.810 -5.305 1.00 10.00 C ATOM 117 C PHE A 9 1.159 0.031 -6.377 1.00 10.00 C ATOM 118 O PHE A 9 0.552 -0.683 -7.168 1.00 10.00 O ATOM 119 CB PHE A 9 0.186 -0.073 -4.076 1.00 10.00 C ATOM 120 CG PHE A 9 -0.435 0.656 -2.921 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.812 0.763 -2.809 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.361 1.241 -1.951 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.383 1.432 -1.743 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.204 1.909 -0.883 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.578 2.008 -0.782 1.00 10.00 C ATOM 0 H PHE A 9 -1.581 0.584 -5.880 1.00 10.00 H new ATOM 0 HA PHE A 9 1.022 1.668 -5.016 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.455 -0.909 -4.354 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.140 -0.494 -3.759 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.446 0.319 -3.563 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.436 1.174 -2.031 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.458 1.504 -1.662 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.427 2.353 -0.128 1.00 10.00 H new ATOM 0 HZ PHE A 9 -2.022 2.536 0.049 1.00 10.00 H new ATOM 135 N LYS A 10 2.474 0.172 -6.395 1.00 10.00 N ATOM 136 CA LYS A 10 3.307 -0.517 -7.369 1.00 10.00 C ATOM 137 C LYS A 10 4.141 -1.592 -6.672 1.00 10.00 C ATOM 138 O LYS A 10 5.373 -1.576 -6.718 1.00 10.00 O ATOM 139 CB LYS A 10 4.210 0.495 -8.081 1.00 10.00 C ATOM 140 CG LYS A 10 4.835 -0.026 -9.364 1.00 10.00 C ATOM 141 CD LYS A 10 5.768 1.004 -9.974 1.00 10.00 C ATOM 142 CE LYS A 10 6.621 0.400 -11.073 1.00 10.00 C ATOM 143 NZ LYS A 10 7.816 1.236 -11.361 1.00 10.00 N ATOM 0 H LYS A 10 2.991 0.761 -5.742 1.00 10.00 H new ATOM 0 HA LYS A 10 2.674 -1.002 -8.112 1.00 10.00 H new ATOM 0 HB2 LYS A 10 3.628 1.388 -8.310 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.005 0.799 -7.400 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.386 -0.943 -9.157 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.051 -0.279 -10.078 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.184 1.831 -10.378 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.412 1.418 -9.198 1.00 10.00 H new ATOM 0 HE2 LYS A 10 6.939 -0.601 -10.779 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.025 0.292 -11.979 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.292 0.879 -12.214 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.521 2.221 -11.516 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.472 1.194 -10.555 1.00 10.00 H new ATOM 157 N TYR A 11 3.459 -2.522 -6.021 1.00 10.00 N ATOM 158 CA TYR A 11 4.130 -3.592 -5.301 1.00 10.00 C ATOM 159 C TYR A 11 4.670 -4.633 -6.277 1.00 10.00 C ATOM 160 O TYR A 11 3.972 -5.043 -7.209 1.00 10.00 O ATOM 161 CB TYR A 11 3.176 -4.229 -4.272 1.00 10.00 C ATOM 162 CG TYR A 11 2.427 -5.459 -4.759 1.00 10.00 C ATOM 163 CD1 TYR A 11 2.935 -6.731 -4.538 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.215 -5.346 -5.436 1.00 10.00 C ATOM 165 CE1 TYR A 11 2.262 -7.855 -4.975 1.00 10.00 C ATOM 166 CE2 TYR A 11 0.536 -6.468 -5.876 1.00 10.00 C ATOM 167 CZ TYR A 11 1.065 -7.718 -5.644 1.00 10.00 C ATOM 168 OH TYR A 11 0.395 -8.841 -6.074 1.00 10.00 O ATOM 0 H TYR A 11 2.441 -2.557 -5.977 1.00 10.00 H new ATOM 0 HA TYR A 11 4.976 -3.173 -4.757 1.00 10.00 H new ATOM 0 HB2 TYR A 11 3.751 -4.500 -3.387 1.00 10.00 H new ATOM 0 HB3 TYR A 11 2.448 -3.479 -3.962 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.873 -6.844 -4.015 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.799 -4.367 -5.620 1.00 10.00 H new ATOM 0 HE1 TYR A 11 2.672 -8.837 -4.793 1.00 10.00 H new ATOM 0 HE2 TYR A 11 -0.404 -6.364 -6.398 1.00 10.00 H new ATOM 0 HH TYR A 11 -0.432 -8.575 -6.527 1.00 10.00 H new ATOM 178 N LYS A 12 5.929 -5.026 -6.078 1.00 10.00 N ATOM 179 CA LYS A 12 6.589 -6.021 -6.930 1.00 10.00 C ATOM 180 C LYS A 12 6.637 -5.570 -8.392 1.00 10.00 C ATOM 181 O LYS A 12 6.866 -6.375 -9.296 1.00 10.00 O ATOM 182 CB LYS A 12 5.887 -7.384 -6.823 1.00 10.00 C ATOM 183 CG LYS A 12 6.207 -8.142 -5.542 1.00 10.00 C ATOM 184 CD LYS A 12 7.662 -8.586 -5.515 1.00 10.00 C ATOM 185 CE LYS A 12 8.034 -9.211 -4.181 1.00 10.00 C ATOM 186 NZ LYS A 12 9.489 -9.509 -4.103 1.00 10.00 N ATOM 0 H LYS A 12 6.518 -4.667 -5.327 1.00 10.00 H new ATOM 0 HA LYS A 12 7.614 -6.122 -6.573 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.809 -7.233 -6.885 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.172 -7.997 -7.678 1.00 10.00 H new ATOM 0 HG2 LYS A 12 6.001 -7.508 -4.680 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.557 -9.013 -5.459 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.838 -9.305 -6.315 1.00 10.00 H new ATOM 0 HD3 LYS A 12 8.308 -7.729 -5.708 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.757 -8.535 -3.372 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.466 -10.130 -4.038 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.737 -9.774 -3.129 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.717 -10.295 -4.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 10.031 -8.666 -4.381 1.00 10.00 H new ATOM 200 N GLY A 13 6.422 -4.278 -8.617 1.00 10.00 N ATOM 201 CA GLY A 13 6.438 -3.739 -9.962 1.00 10.00 C ATOM 202 C GLY A 13 5.067 -3.770 -10.615 1.00 10.00 C ATOM 203 O GLY A 13 4.885 -3.244 -11.711 1.00 10.00 O ATOM 0 H GLY A 13 6.236 -3.592 -7.886 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.801 -2.712 -9.934 1.00 10.00 H new ATOM 0 HA3 GLY A 13 7.140 -4.309 -10.570 1.00 10.00 H new ATOM 207 N GLU A 14 4.098 -4.378 -9.942 1.00 10.00 N ATOM 208 CA GLU A 14 2.744 -4.480 -10.466 1.00 10.00 C ATOM 209 C GLU A 14 1.855 -3.401 -9.857 1.00 10.00 C ATOM 210 O GLU A 14 1.977 -3.072 -8.677 1.00 10.00 O ATOM 211 CB GLU A 14 2.174 -5.875 -10.192 1.00 10.00 C ATOM 212 CG GLU A 14 1.691 -6.587 -11.445 1.00 10.00 C ATOM 213 CD GLU A 14 1.761 -8.096 -11.327 1.00 10.00 C ATOM 214 OE1 GLU A 14 2.626 -8.708 -11.989 1.00 10.00 O ATOM 215 OE2 GLU A 14 0.947 -8.681 -10.580 1.00 10.00 O ATOM 0 H GLU A 14 4.227 -4.810 -9.027 1.00 10.00 H new ATOM 0 HA GLU A 14 2.773 -4.327 -11.545 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.939 -6.483 -9.709 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.345 -5.789 -9.490 1.00 10.00 H new ATOM 0 HG2 GLU A 14 0.663 -6.291 -11.652 1.00 10.00 H new ATOM 0 HG3 GLU A 14 2.293 -6.265 -12.295 1.00 10.00 H new ATOM 222 N GLU A 15 0.967 -2.850 -10.672 1.00 10.00 N ATOM 223 CA GLU A 15 0.069 -1.795 -10.235 1.00 10.00 C ATOM 224 C GLU A 15 -1.203 -2.374 -9.624 1.00 10.00 C ATOM 225 O GLU A 15 -1.982 -3.046 -10.301 1.00 10.00 O ATOM 226 CB GLU A 15 -0.282 -0.888 -11.415 1.00 10.00 C ATOM 227 CG GLU A 15 -1.096 0.336 -11.028 1.00 10.00 C ATOM 228 CD GLU A 15 -1.647 1.072 -12.230 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.879 1.808 -12.885 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.852 0.922 -12.527 1.00 10.00 O ATOM 0 H GLU A 15 0.850 -3.121 -11.648 1.00 10.00 H new ATOM 0 HA GLU A 15 0.577 -1.210 -9.468 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.640 -0.562 -11.897 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.840 -1.466 -12.152 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.921 0.031 -10.384 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.472 1.014 -10.446 1.00 10.00 H new ATOM 237 N LYS A 16 -1.399 -2.118 -8.343 1.00 10.00 N ATOM 238 CA LYS A 16 -2.579 -2.590 -7.638 1.00 10.00 C ATOM 239 C LYS A 16 -3.399 -1.397 -7.157 1.00 10.00 C ATOM 240 O LYS A 16 -2.844 -0.406 -6.679 1.00 10.00 O ATOM 241 CB LYS A 16 -2.180 -3.470 -6.452 1.00 10.00 C ATOM 242 CG LYS A 16 -3.308 -4.348 -5.936 1.00 10.00 C ATOM 243 CD LYS A 16 -2.840 -5.234 -4.794 1.00 10.00 C ATOM 244 CE LYS A 16 -3.330 -6.663 -4.957 1.00 10.00 C ATOM 245 NZ LYS A 16 -4.758 -6.812 -4.572 1.00 10.00 N ATOM 0 H LYS A 16 -0.751 -1.582 -7.765 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.182 -3.189 -8.320 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.344 -4.104 -6.747 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.827 -2.833 -5.641 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -4.134 -3.722 -5.598 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -3.689 -4.968 -6.747 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.751 -5.225 -4.749 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.202 -4.831 -3.848 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -3.200 -6.974 -5.994 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.719 -7.327 -4.346 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -5.117 -7.726 -4.915 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -4.844 -6.773 -3.536 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -5.314 -6.041 -4.995 1.00 10.00 H new ATOM 259 N GLN A 17 -4.711 -1.488 -7.287 1.00 10.00 N ATOM 260 CA GLN A 17 -5.589 -0.404 -6.881 1.00 10.00 C ATOM 261 C GLN A 17 -6.314 -0.723 -5.578 1.00 10.00 C ATOM 262 O GLN A 17 -7.052 -1.709 -5.482 1.00 10.00 O ATOM 263 CB GLN A 17 -6.597 -0.123 -7.987 1.00 10.00 C ATOM 264 CG GLN A 17 -7.372 1.163 -7.790 1.00 10.00 C ATOM 265 CD GLN A 17 -7.547 1.940 -9.078 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.641 1.234 -10.197 1.00 10.00 O flip ATOM 267 NE2 GLN A 17 -7.591 3.168 -9.070 1.00 10.00 N flip ATOM 0 H GLN A 17 -5.192 -2.301 -7.671 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.977 0.481 -6.707 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -6.073 -0.079 -8.942 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.299 -0.955 -8.047 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -8.352 0.932 -7.373 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.855 1.787 -7.061 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.515 3.675 -8.188 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -7.703 3.680 -9.945 1.00 10.00 H new ATOM 276 N VAL A 18 -6.094 0.116 -4.573 1.00 10.00 N ATOM 277 CA VAL A 18 -6.724 -0.061 -3.272 1.00 10.00 C ATOM 278 C VAL A 18 -7.378 1.243 -2.823 1.00 10.00 C ATOM 279 O VAL A 18 -6.802 2.323 -2.971 1.00 10.00 O ATOM 280 CB VAL A 18 -5.708 -0.517 -2.197 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.400 -0.782 -0.869 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.950 -1.754 -2.653 1.00 10.00 C ATOM 0 H VAL A 18 -5.481 0.929 -4.636 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.479 -0.840 -3.381 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.992 0.293 -2.056 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.663 -1.101 -0.132 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.887 0.130 -0.524 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.147 -1.566 -0.998 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.243 -2.053 -1.879 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.654 -2.566 -2.835 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.409 -1.531 -3.572 1.00 10.00 H new ATOM 292 N ASP A 19 -8.591 1.147 -2.300 1.00 10.00 N ATOM 293 CA ASP A 19 -9.312 2.323 -1.825 1.00 10.00 C ATOM 294 C ASP A 19 -8.806 2.714 -0.441 1.00 10.00 C ATOM 295 O ASP A 19 -8.403 1.850 0.339 1.00 10.00 O ATOM 296 CB ASP A 19 -10.816 2.042 -1.779 1.00 10.00 C ATOM 297 CG ASP A 19 -11.648 3.295 -1.564 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.649 3.825 -0.433 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.316 3.744 -2.521 1.00 10.00 O ATOM 0 H ASP A 19 -9.098 0.269 -2.193 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.136 3.149 -2.514 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.120 1.566 -2.712 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.023 1.333 -0.977 1.00 10.00 H new ATOM 304 N ILE A 20 -8.835 4.007 -0.136 1.00 10.00 N ATOM 305 CA ILE A 20 -8.367 4.506 1.153 1.00 10.00 C ATOM 306 C ILE A 20 -9.189 3.927 2.313 1.00 10.00 C ATOM 307 O ILE A 20 -8.687 3.791 3.429 1.00 10.00 O ATOM 308 CB ILE A 20 -8.397 6.055 1.202 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.579 6.571 2.390 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.828 6.576 1.266 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.385 8.071 2.385 1.00 10.00 C ATOM 0 H ILE A 20 -9.179 4.731 -0.766 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.334 4.176 1.266 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.946 6.430 0.283 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.075 6.280 3.316 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.603 6.087 2.386 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.817 7.665 1.299 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.375 6.245 0.383 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.316 6.190 2.161 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.797 8.365 3.255 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.861 8.367 1.476 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.357 8.564 2.421 1.00 10.00 H new ATOM 323 N SER A 21 -10.438 3.559 2.038 1.00 10.00 N ATOM 324 CA SER A 21 -11.304 2.992 3.061 1.00 10.00 C ATOM 325 C SER A 21 -10.941 1.532 3.332 1.00 10.00 C ATOM 326 O SER A 21 -11.374 0.943 4.321 1.00 10.00 O ATOM 327 CB SER A 21 -12.773 3.106 2.642 1.00 10.00 C ATOM 328 OG SER A 21 -12.986 2.557 1.352 1.00 10.00 O ATOM 0 H SER A 21 -10.869 3.644 1.118 1.00 10.00 H new ATOM 0 HA SER A 21 -11.158 3.558 3.981 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.401 2.589 3.368 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.075 4.153 2.648 1.00 10.00 H new ATOM 0 HG SER A 21 -12.789 3.234 0.672 1.00 10.00 H new ATOM 334 N LYS A 22 -10.140 0.954 2.445 1.00 10.00 N ATOM 335 CA LYS A 22 -9.716 -0.431 2.590 1.00 10.00 C ATOM 336 C LYS A 22 -8.355 -0.505 3.268 1.00 10.00 C ATOM 337 O LYS A 22 -7.972 -1.548 3.794 1.00 10.00 O ATOM 338 CB LYS A 22 -9.657 -1.119 1.224 1.00 10.00 C ATOM 339 CG LYS A 22 -11.011 -1.591 0.724 1.00 10.00 C ATOM 340 CD LYS A 22 -10.937 -2.062 -0.720 1.00 10.00 C ATOM 341 CE LYS A 22 -12.218 -2.760 -1.143 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.298 -2.918 -2.617 1.00 10.00 N ATOM 0 H LYS A 22 -9.772 1.424 1.618 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.447 -0.947 3.213 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.231 -0.428 0.496 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -8.983 -1.974 1.285 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.370 -2.404 1.355 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.734 -0.780 0.807 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.753 -1.209 -1.373 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.094 -2.742 -0.839 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.272 -3.740 -0.669 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.077 -2.188 -0.791 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.186 -3.398 -2.867 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.272 -1.981 -3.068 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.492 -3.485 -2.950 1.00 10.00 H new ATOM 356 N ILE A 23 -7.630 0.603 3.255 1.00 10.00 N ATOM 357 CA ILE A 23 -6.313 0.656 3.871 1.00 10.00 C ATOM 358 C ILE A 23 -6.430 0.654 5.391 1.00 10.00 C ATOM 359 O ILE A 23 -7.009 1.568 5.983 1.00 10.00 O ATOM 360 CB ILE A 23 -5.522 1.902 3.422 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.408 1.935 1.897 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.139 1.911 4.063 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.727 3.179 1.366 1.00 10.00 C ATOM 0 H ILE A 23 -7.931 1.477 2.825 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.772 -0.232 3.545 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.058 2.793 3.748 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.854 1.057 1.563 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.406 1.865 1.465 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.593 2.796 3.737 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.241 1.927 5.148 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.593 1.017 3.763 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.682 3.133 0.278 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.292 4.061 1.669 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.716 3.240 1.769 1.00 10.00 H new ATOM 375 N LEU A 24 -5.884 -0.377 6.014 1.00 10.00 N ATOM 376 CA LEU A 24 -5.927 -0.502 7.461 1.00 10.00 C ATOM 377 C LEU A 24 -4.845 0.355 8.102 1.00 10.00 C ATOM 378 O LEU A 24 -5.135 1.328 8.802 1.00 10.00 O ATOM 379 CB LEU A 24 -5.749 -1.965 7.876 1.00 10.00 C ATOM 380 CG LEU A 24 -6.829 -2.923 7.368 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.436 -4.366 7.645 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.168 -2.604 8.013 1.00 10.00 C ATOM 0 H LEU A 24 -5.405 -1.141 5.539 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.901 -0.154 7.806 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.780 -2.312 7.517 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.723 -2.017 8.964 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.925 -2.793 6.290 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.216 -5.033 7.277 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.497 -4.591 7.139 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.313 -4.510 8.718 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.925 -3.294 7.641 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.084 -2.706 9.095 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.456 -1.582 7.766 1.00 10.00 H new ATOM 394 N SER A 25 -3.596 -0.004 7.852 1.00 10.00 N ATOM 395 CA SER A 25 -2.470 0.722 8.407 1.00 10.00 C ATOM 396 C SER A 25 -1.267 0.663 7.465 1.00 10.00 C ATOM 397 O SER A 25 -0.979 -0.379 6.871 1.00 10.00 O ATOM 398 CB SER A 25 -2.098 0.142 9.776 1.00 10.00 C ATOM 399 OG SER A 25 -2.863 -1.020 10.066 1.00 10.00 O ATOM 0 H SER A 25 -3.338 -0.798 7.265 1.00 10.00 H new ATOM 0 HA SER A 25 -2.758 1.766 8.527 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.036 -0.104 9.793 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.264 0.892 10.549 1.00 10.00 H new ATOM 0 HG SER A 25 -2.605 -1.371 10.944 1.00 10.00 H new ATOM 405 N VAL A 26 -0.593 1.793 7.313 1.00 10.00 N ATOM 406 CA VAL A 26 0.589 1.882 6.470 1.00 10.00 C ATOM 407 C VAL A 26 1.842 1.931 7.337 1.00 10.00 C ATOM 408 O VAL A 26 1.976 2.808 8.192 1.00 10.00 O ATOM 409 CB VAL A 26 0.546 3.133 5.566 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.809 3.238 4.728 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.681 3.105 4.670 1.00 10.00 C ATOM 0 H VAL A 26 -0.848 2.670 7.768 1.00 10.00 H new ATOM 0 HA VAL A 26 0.610 0.998 5.833 1.00 10.00 H new ATOM 0 HB VAL A 26 0.486 4.011 6.209 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.756 4.127 4.099 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.676 3.309 5.384 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.902 2.353 4.098 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.693 3.995 4.041 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.651 2.216 4.040 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.580 3.084 5.285 1.00 10.00 H new ATOM 421 N GLY A 27 2.746 0.989 7.121 1.00 10.00 N ATOM 422 CA GLY A 27 3.969 0.937 7.892 1.00 10.00 C ATOM 423 C GLY A 27 5.195 1.196 7.041 1.00 10.00 C ATOM 424 O GLY A 27 5.518 0.420 6.141 1.00 10.00 O ATOM 0 H GLY A 27 2.653 0.254 6.420 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.923 1.675 8.693 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.057 -0.041 8.364 1.00 10.00 H new ATOM 428 N ARG A 28 5.877 2.291 7.321 1.00 10.00 N ATOM 429 CA ARG A 28 7.069 2.656 6.581 1.00 10.00 C ATOM 430 C ARG A 28 8.311 2.102 7.270 1.00 10.00 C ATOM 431 O ARG A 28 8.672 2.537 8.360 1.00 10.00 O ATOM 432 CB ARG A 28 7.154 4.176 6.462 1.00 10.00 C ATOM 433 CG ARG A 28 8.388 4.664 5.729 1.00 10.00 C ATOM 434 CD ARG A 28 8.444 6.180 5.698 1.00 10.00 C ATOM 435 NE ARG A 28 9.643 6.673 5.023 1.00 10.00 N ATOM 436 CZ ARG A 28 10.628 7.327 5.631 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.576 7.570 6.935 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.663 7.752 4.925 1.00 10.00 N ATOM 0 H ARG A 28 5.623 2.946 8.060 1.00 10.00 H new ATOM 0 HA ARG A 28 7.015 2.226 5.581 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.267 4.541 5.944 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.141 4.611 7.461 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.282 4.274 6.216 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.386 4.277 4.710 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.559 6.565 5.191 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.419 6.564 6.718 1.00 10.00 H new ATOM 0 HE ARG A 28 9.730 6.504 4.021 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.775 7.254 7.481 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.338 8.073 7.391 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.702 7.577 3.921 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.422 8.254 5.385 1.00 10.00 H new ATOM 452 N TYR A 29 8.965 1.145 6.631 1.00 10.00 N ATOM 453 CA TYR A 29 10.169 0.539 7.190 1.00 10.00 C ATOM 454 C TYR A 29 11.411 1.282 6.708 1.00 10.00 C ATOM 455 O TYR A 29 12.535 0.797 6.835 1.00 10.00 O ATOM 456 CB TYR A 29 10.254 -0.933 6.796 1.00 10.00 C ATOM 457 CG TYR A 29 10.178 -1.879 7.972 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.959 -2.388 8.403 1.00 10.00 C ATOM 459 CD2 TYR A 29 11.327 -2.264 8.651 1.00 10.00 C ATOM 460 CE1 TYR A 29 8.889 -3.256 9.476 1.00 10.00 C ATOM 461 CE2 TYR A 29 11.264 -3.129 9.722 1.00 10.00 C ATOM 462 CZ TYR A 29 10.045 -3.622 10.132 1.00 10.00 C ATOM 463 OH TYR A 29 9.984 -4.487 11.199 1.00 10.00 O ATOM 0 H TYR A 29 8.685 0.769 5.725 1.00 10.00 H new ATOM 0 HA TYR A 29 10.118 0.610 8.277 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.445 -1.162 6.103 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.189 -1.104 6.262 1.00 10.00 H new ATOM 0 HD1 TYR A 29 8.052 -2.101 7.891 1.00 10.00 H new ATOM 0 HD2 TYR A 29 12.285 -1.879 8.334 1.00 10.00 H new ATOM 0 HE1 TYR A 29 7.935 -3.645 9.799 1.00 10.00 H new ATOM 0 HE2 TYR A 29 12.167 -3.419 10.238 1.00 10.00 H new ATOM 0 HH TYR A 29 10.887 -4.642 11.546 1.00 10.00 H new ATOM 473 N GLY A 30 11.193 2.463 6.154 1.00 10.00 N ATOM 474 CA GLY A 30 12.285 3.267 5.653 1.00 10.00 C ATOM 475 C GLY A 30 12.139 3.528 4.172 1.00 10.00 C ATOM 476 O GLY A 30 11.488 4.488 3.768 1.00 10.00 O ATOM 0 H GLY A 30 10.270 2.882 6.042 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.318 4.215 6.190 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.231 2.760 5.844 1.00 10.00 H new ATOM 480 N LYS A 31 12.737 2.666 3.368 1.00 10.00 N ATOM 481 CA LYS A 31 12.662 2.790 1.921 1.00 10.00 C ATOM 482 C LYS A 31 11.508 1.945 1.406 1.00 10.00 C ATOM 483 O LYS A 31 10.849 2.293 0.428 1.00 10.00 O ATOM 484 CB LYS A 31 13.980 2.350 1.275 1.00 10.00 C ATOM 485 CG LYS A 31 15.200 3.076 1.825 1.00 10.00 C ATOM 486 CD LYS A 31 15.120 4.576 1.574 1.00 10.00 C ATOM 487 CE LYS A 31 15.007 5.351 2.875 1.00 10.00 C ATOM 488 NZ LYS A 31 14.720 6.788 2.640 1.00 10.00 N ATOM 0 H LYS A 31 13.283 1.868 3.694 1.00 10.00 H new ATOM 0 HA LYS A 31 12.490 3.834 1.657 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.108 1.278 1.424 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.922 2.518 0.200 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.283 2.890 2.896 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.102 2.676 1.361 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.006 4.903 1.030 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.259 4.795 0.942 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.216 4.918 3.488 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.936 5.253 3.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.306 7.204 3.498 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 15.603 7.285 2.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 14.049 6.884 1.851 1.00 10.00 H new ATOM 502 N LEU A 32 11.265 0.837 2.093 1.00 10.00 N ATOM 503 CA LEU A 32 10.189 -0.070 1.740 1.00 10.00 C ATOM 504 C LEU A 32 8.974 0.202 2.619 1.00 10.00 C ATOM 505 O LEU A 32 9.039 0.082 3.844 1.00 10.00 O ATOM 506 CB LEU A 32 10.635 -1.529 1.900 1.00 10.00 C ATOM 507 CG LEU A 32 11.512 -2.086 0.768 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.999 -3.478 1.115 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.749 -2.104 -0.549 1.00 10.00 C ATOM 0 H LEU A 32 11.807 0.545 2.906 1.00 10.00 H new ATOM 0 HA LEU A 32 9.923 0.097 0.696 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.183 -1.621 2.838 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.746 -2.154 1.987 1.00 10.00 H new ATOM 0 HG LEU A 32 12.376 -1.432 0.652 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.619 -3.859 0.304 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.586 -3.440 2.033 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.143 -4.138 1.259 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.390 -2.502 -1.335 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.865 -2.733 -0.449 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.445 -1.090 -0.807 1.00 10.00 H new ATOM 521 N ILE A 33 7.881 0.589 1.992 1.00 10.00 N ATOM 522 CA ILE A 33 6.649 0.881 2.705 1.00 10.00 C ATOM 523 C ILE A 33 5.665 -0.269 2.545 1.00 10.00 C ATOM 524 O ILE A 33 5.184 -0.535 1.446 1.00 10.00 O ATOM 525 CB ILE A 33 6.004 2.186 2.193 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.057 3.295 2.094 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.863 2.613 3.107 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.646 4.444 1.200 1.00 10.00 C ATOM 0 H ILE A 33 7.819 0.710 0.981 1.00 10.00 H new ATOM 0 HA ILE A 33 6.895 1.007 3.759 1.00 10.00 H new ATOM 0 HB ILE A 33 5.596 2.004 1.199 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.263 3.679 3.093 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.987 2.869 1.719 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.420 3.535 2.730 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.105 1.830 3.132 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.246 2.780 4.114 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.440 5.190 1.178 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.468 4.074 0.190 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.733 4.897 1.586 1.00 10.00 H new ATOM 540 N HIS A 34 5.374 -0.944 3.645 1.00 10.00 N ATOM 541 CA HIS A 34 4.462 -2.080 3.633 1.00 10.00 C ATOM 542 C HIS A 34 3.145 -1.709 4.307 1.00 10.00 C ATOM 543 O HIS A 34 3.132 -1.169 5.414 1.00 10.00 O ATOM 544 CB HIS A 34 5.118 -3.278 4.341 1.00 10.00 C ATOM 545 CG HIS A 34 4.293 -4.529 4.340 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.256 -5.436 3.303 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.480 -5.031 5.301 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.447 -6.435 3.660 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.947 -6.239 4.867 1.00 10.00 N ATOM 0 H HIS A 34 5.758 -0.724 4.564 1.00 10.00 H new ATOM 0 HA HIS A 34 4.248 -2.357 2.601 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.074 -3.488 3.862 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.333 -3.001 5.373 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.278 -4.565 6.254 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.229 -7.293 3.042 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.304 -6.847 5.374 1.00 10.00 H new ATOM 557 N PHE A 35 2.037 -1.997 3.643 1.00 10.00 N ATOM 558 CA PHE A 35 0.729 -1.674 4.187 1.00 10.00 C ATOM 559 C PHE A 35 -0.190 -2.891 4.170 1.00 10.00 C ATOM 560 O PHE A 35 0.019 -3.837 3.407 1.00 10.00 O ATOM 561 CB PHE A 35 0.090 -0.523 3.394 1.00 10.00 C ATOM 562 CG PHE A 35 -0.513 -0.952 2.084 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.889 -1.042 1.934 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.295 -1.269 1.003 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.443 -1.441 0.733 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.254 -1.669 -0.197 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.625 -1.756 -0.333 1.00 10.00 C ATOM 0 H PHE A 35 2.017 -2.452 2.730 1.00 10.00 H new ATOM 0 HA PHE A 35 0.865 -1.362 5.223 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.684 -0.058 4.005 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.846 0.239 3.204 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.534 -0.798 2.765 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.368 -1.202 1.102 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.516 -1.506 0.628 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.388 -1.914 -1.030 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.057 -2.070 -1.272 1.00 10.00 H new ATOM 577 N LEU A 36 -1.197 -2.856 5.028 1.00 10.00 N ATOM 578 CA LEU A 36 -2.180 -3.923 5.119 1.00 10.00 C ATOM 579 C LEU A 36 -3.550 -3.371 4.749 1.00 10.00 C ATOM 580 O LEU A 36 -3.932 -2.296 5.214 1.00 10.00 O ATOM 581 CB LEU A 36 -2.212 -4.501 6.537 1.00 10.00 C ATOM 582 CG LEU A 36 -1.140 -5.547 6.842 1.00 10.00 C ATOM 583 CD1 LEU A 36 -1.009 -5.748 8.342 1.00 10.00 C ATOM 584 CD2 LEU A 36 -1.474 -6.864 6.161 1.00 10.00 C ATOM 0 H LEU A 36 -1.356 -2.088 5.680 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.908 -4.722 4.430 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.109 -3.681 7.248 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.191 -4.949 6.707 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.187 -5.188 6.454 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.242 -6.496 8.543 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.729 -4.805 8.812 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.962 -6.087 8.748 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.701 -7.598 6.388 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -2.436 -7.227 6.523 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -1.525 -6.713 5.083 1.00 10.00 H new ATOM 596 N TYR A 37 -4.288 -4.085 3.914 1.00 10.00 N ATOM 597 CA TYR A 37 -5.604 -3.620 3.503 1.00 10.00 C ATOM 598 C TYR A 37 -6.661 -4.706 3.685 1.00 10.00 C ATOM 599 O TYR A 37 -6.385 -5.893 3.513 1.00 10.00 O ATOM 600 CB TYR A 37 -5.581 -3.124 2.049 1.00 10.00 C ATOM 601 CG TYR A 37 -5.327 -4.197 1.007 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.382 -4.869 0.406 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.035 -4.531 0.620 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.161 -5.836 -0.555 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.804 -5.500 -0.340 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.871 -6.153 -0.922 1.00 10.00 C ATOM 607 OH TYR A 37 -4.651 -7.116 -1.885 1.00 10.00 O ATOM 0 H TYR A 37 -4.003 -4.978 3.511 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.872 -2.783 4.147 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.535 -2.645 1.830 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.811 -2.358 1.955 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.395 -4.631 0.695 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.197 -4.026 1.076 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.996 -6.342 -1.017 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.793 -5.744 -0.632 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.687 -7.220 -2.029 1.00 10.00 H new ATOM 617 N ASP A 38 -7.865 -4.282 4.039 1.00 10.00 N ATOM 618 CA ASP A 38 -8.986 -5.193 4.240 1.00 10.00 C ATOM 619 C ASP A 38 -9.635 -5.530 2.902 1.00 10.00 C ATOM 620 O ASP A 38 -10.290 -4.688 2.286 1.00 10.00 O ATOM 621 CB ASP A 38 -10.013 -4.562 5.189 1.00 10.00 C ATOM 622 CG ASP A 38 -11.291 -5.371 5.307 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.223 -6.542 5.737 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.373 -4.825 4.994 1.00 10.00 O ATOM 0 H ASP A 38 -8.094 -3.300 4.195 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.617 -6.115 4.689 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.566 -4.453 6.177 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.256 -3.559 4.837 1.00 10.00 H new ATOM 629 N LEU A 39 -9.434 -6.759 2.450 1.00 10.00 N ATOM 630 CA LEU A 39 -9.980 -7.199 1.179 1.00 10.00 C ATOM 631 C LEU A 39 -11.422 -7.673 1.344 1.00 10.00 C ATOM 632 O LEU A 39 -12.316 -7.233 0.619 1.00 10.00 O ATOM 633 CB LEU A 39 -9.115 -8.318 0.593 1.00 10.00 C ATOM 634 CG LEU A 39 -8.956 -8.289 -0.929 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.734 -9.083 -1.351 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.198 -8.843 -1.604 1.00 10.00 C ATOM 0 H LEU A 39 -8.896 -7.469 2.947 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.976 -6.354 0.491 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.125 -8.266 1.047 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.547 -9.277 0.879 1.00 10.00 H new ATOM 0 HG LEU A 39 -8.823 -7.253 -1.239 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -7.637 -9.052 -2.436 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.844 -8.651 -0.894 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.843 -10.118 -1.026 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.067 -8.815 -2.686 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -10.357 -9.873 -1.284 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -11.062 -8.240 -1.327 1.00 10.00 H new ATOM 648 N GLY A 40 -11.641 -8.565 2.301 1.00 10.00 N ATOM 649 CA GLY A 40 -12.974 -9.081 2.536 1.00 10.00 C ATOM 650 C GLY A 40 -12.974 -10.578 2.765 1.00 10.00 C ATOM 651 O GLY A 40 -12.034 -11.276 2.376 1.00 10.00 O ATOM 0 H GLY A 40 -10.920 -8.940 2.918 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.408 -8.582 3.403 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.609 -8.845 1.682 1.00 10.00 H new ATOM 655 N GLY A 41 -14.026 -11.079 3.398 1.00 10.00 N ATOM 656 CA GLY A 41 -14.122 -12.500 3.666 1.00 10.00 C ATOM 657 C GLY A 41 -13.408 -12.882 4.944 1.00 10.00 C ATOM 658 O GLY A 41 -13.102 -14.049 5.174 1.00 10.00 O ATOM 0 H GLY A 41 -14.816 -10.526 3.731 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.171 -12.786 3.737 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.696 -13.057 2.831 1.00 10.00 H new ATOM 662 N GLY A 42 -13.124 -11.885 5.772 1.00 10.00 N ATOM 663 CA GLY A 42 -12.444 -12.132 7.030 1.00 10.00 C ATOM 664 C GLY A 42 -10.935 -12.085 6.901 1.00 10.00 C ATOM 665 O GLY A 42 -10.224 -12.029 7.903 1.00 10.00 O ATOM 0 H GLY A 42 -13.353 -10.907 5.595 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.765 -11.391 7.763 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.741 -13.108 7.413 1.00 10.00 H new ATOM 669 N LYS A 43 -10.443 -12.111 5.670 1.00 10.00 N ATOM 670 CA LYS A 43 -9.008 -12.067 5.427 1.00 10.00 C ATOM 671 C LYS A 43 -8.605 -10.724 4.833 1.00 10.00 C ATOM 672 O LYS A 43 -9.438 -9.993 4.287 1.00 10.00 O ATOM 673 CB LYS A 43 -8.569 -13.214 4.508 1.00 10.00 C ATOM 674 CG LYS A 43 -9.296 -13.269 3.174 1.00 10.00 C ATOM 675 CD LYS A 43 -9.945 -14.625 2.943 1.00 10.00 C ATOM 676 CE LYS A 43 -8.914 -15.691 2.602 1.00 10.00 C ATOM 677 NZ LYS A 43 -8.553 -16.525 3.777 1.00 10.00 N ATOM 0 H LYS A 43 -11.014 -12.162 4.827 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.502 -12.188 6.385 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.499 -13.123 4.320 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.722 -14.159 5.030 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -10.058 -12.491 3.143 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.593 -13.060 2.368 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.494 -14.922 3.836 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.671 -14.548 2.133 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.305 -16.331 1.812 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.017 -15.213 2.210 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -8.164 -17.433 3.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.841 -16.028 4.350 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -9.401 -16.699 4.353 1.00 10.00 H new ATOM 691 N ALA A 44 -7.329 -10.400 4.953 1.00 10.00 N ATOM 692 CA ALA A 44 -6.810 -9.141 4.446 1.00 10.00 C ATOM 693 C ALA A 44 -5.641 -9.373 3.498 1.00 10.00 C ATOM 694 O ALA A 44 -5.175 -10.501 3.336 1.00 10.00 O ATOM 695 CB ALA A 44 -6.387 -8.248 5.602 1.00 10.00 C ATOM 0 H ALA A 44 -6.630 -10.994 5.399 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.602 -8.644 3.886 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.999 -7.307 5.212 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.247 -8.049 6.242 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.611 -8.747 6.182 1.00 10.00 H new ATOM 701 N GLY A 45 -5.172 -8.302 2.876 1.00 10.00 N ATOM 702 CA GLY A 45 -4.058 -8.401 1.954 1.00 10.00 C ATOM 703 C GLY A 45 -2.921 -7.492 2.365 1.00 10.00 C ATOM 704 O GLY A 45 -3.109 -6.615 3.215 1.00 10.00 O ATOM 0 H GLY A 45 -5.545 -7.360 2.994 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.706 -9.432 1.915 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.390 -8.139 0.949 1.00 10.00 H new ATOM 708 N MET A 46 -1.758 -7.674 1.762 1.00 10.00 N ATOM 709 CA MET A 46 -0.594 -6.862 2.096 1.00 10.00 C ATOM 710 C MET A 46 0.169 -6.450 0.842 1.00 10.00 C ATOM 711 O MET A 46 0.120 -7.137 -0.176 1.00 10.00 O ATOM 712 CB MET A 46 0.329 -7.631 3.046 1.00 10.00 C ATOM 713 CG MET A 46 0.999 -8.840 2.412 1.00 10.00 C ATOM 714 SD MET A 46 2.120 -9.679 3.552 1.00 10.00 S ATOM 715 CE MET A 46 2.762 -10.978 2.497 1.00 10.00 C ATOM 0 H MET A 46 -1.592 -8.375 1.040 1.00 10.00 H new ATOM 0 HA MET A 46 -0.944 -5.956 2.591 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.099 -6.954 3.416 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.248 -7.960 3.910 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.235 -9.541 2.075 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.553 -8.524 1.528 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.815 -11.144 2.724 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.204 -11.898 2.672 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.658 -10.683 1.453 1.00 10.00 H new ATOM 725 N GLY A 47 0.859 -5.321 0.920 1.00 10.00 N ATOM 726 CA GLY A 47 1.625 -4.835 -0.212 1.00 10.00 C ATOM 727 C GLY A 47 2.749 -3.918 0.221 1.00 10.00 C ATOM 728 O GLY A 47 2.617 -3.193 1.208 1.00 10.00 O ATOM 0 H GLY A 47 0.903 -4.730 1.750 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.038 -5.681 -0.762 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.964 -4.302 -0.896 1.00 10.00 H new ATOM 732 N MET A 48 3.860 -3.957 -0.499 1.00 10.00 N ATOM 733 CA MET A 48 5.009 -3.122 -0.176 1.00 10.00 C ATOM 734 C MET A 48 5.519 -2.377 -1.406 1.00 10.00 C ATOM 735 O MET A 48 5.669 -2.955 -2.480 1.00 10.00 O ATOM 736 CB MET A 48 6.126 -3.981 0.419 1.00 10.00 C ATOM 737 CG MET A 48 7.255 -3.187 1.052 1.00 10.00 C ATOM 738 SD MET A 48 8.315 -4.213 2.091 1.00 10.00 S ATOM 739 CE MET A 48 8.774 -5.505 0.937 1.00 10.00 C ATOM 0 H MET A 48 3.991 -4.559 -1.312 1.00 10.00 H new ATOM 0 HA MET A 48 4.693 -2.380 0.557 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.697 -4.644 1.171 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.539 -4.614 -0.366 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.855 -2.725 0.268 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.836 -2.378 1.651 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.677 -6.004 1.290 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.964 -6.231 0.862 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.961 -5.067 -0.044 1.00 10.00 H new ATOM 749 N VAL A 49 5.789 -1.092 -1.240 1.00 10.00 N ATOM 750 CA VAL A 49 6.286 -0.265 -2.329 1.00 10.00 C ATOM 751 C VAL A 49 7.385 0.669 -1.818 1.00 10.00 C ATOM 752 O VAL A 49 7.409 1.016 -0.637 1.00 10.00 O ATOM 753 CB VAL A 49 5.137 0.552 -2.972 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.568 1.563 -1.987 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.597 1.238 -4.252 1.00 10.00 C ATOM 0 H VAL A 49 5.672 -0.596 -0.356 1.00 10.00 H new ATOM 0 HA VAL A 49 6.705 -0.918 -3.095 1.00 10.00 H new ATOM 0 HB VAL A 49 4.342 -0.145 -3.236 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.763 2.123 -2.464 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.178 1.040 -1.114 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.354 2.251 -1.677 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.769 1.803 -4.680 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.420 1.916 -4.026 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.931 0.487 -4.968 1.00 10.00 H new ATOM 765 N SER A 50 8.309 1.044 -2.689 1.00 10.00 N ATOM 766 CA SER A 50 9.397 1.933 -2.307 1.00 10.00 C ATOM 767 C SER A 50 8.977 3.396 -2.439 1.00 10.00 C ATOM 768 O SER A 50 7.977 3.708 -3.090 1.00 10.00 O ATOM 769 CB SER A 50 10.617 1.673 -3.190 1.00 10.00 C ATOM 770 OG SER A 50 10.414 2.195 -4.496 1.00 10.00 O ATOM 0 H SER A 50 8.328 0.747 -3.665 1.00 10.00 H new ATOM 0 HA SER A 50 9.649 1.734 -1.265 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.499 2.131 -2.743 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.809 0.602 -3.247 1.00 10.00 H new ATOM 0 HG SER A 50 10.238 1.459 -5.119 1.00 10.00 H new ATOM 776 N GLU A 51 9.755 4.294 -1.832 1.00 10.00 N ATOM 777 CA GLU A 51 9.470 5.730 -1.895 1.00 10.00 C ATOM 778 C GLU A 51 9.708 6.261 -3.306 1.00 10.00 C ATOM 779 O GLU A 51 9.268 7.359 -3.654 1.00 10.00 O ATOM 780 CB GLU A 51 10.357 6.505 -0.919 1.00 10.00 C ATOM 781 CG GLU A 51 10.410 5.917 0.481 1.00 10.00 C ATOM 782 CD GLU A 51 11.310 6.712 1.400 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.532 6.763 1.146 1.00 10.00 O ATOM 784 OE2 GLU A 51 10.802 7.294 2.381 1.00 10.00 O ATOM 0 H GLU A 51 10.586 4.054 -1.292 1.00 10.00 H new ATOM 0 HA GLU A 51 8.424 5.871 -1.621 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.369 6.547 -1.321 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.996 7.532 -0.856 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.404 5.886 0.899 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.765 4.888 0.428 1.00 10.00 H new ATOM 791 N LYS A 52 10.428 5.482 -4.102 1.00 10.00 N ATOM 792 CA LYS A 52 10.730 5.858 -5.474 1.00 10.00 C ATOM 793 C LYS A 52 9.562 5.512 -6.385 1.00 10.00 C ATOM 794 O LYS A 52 9.154 6.314 -7.227 1.00 10.00 O ATOM 795 CB LYS A 52 11.977 5.126 -5.969 1.00 10.00 C ATOM 796 CG LYS A 52 13.262 5.501 -5.245 1.00 10.00 C ATOM 797 CD LYS A 52 14.427 4.670 -5.755 1.00 10.00 C ATOM 798 CE LYS A 52 15.754 5.110 -5.153 1.00 10.00 C ATOM 799 NZ LYS A 52 16.889 4.311 -5.687 1.00 10.00 N ATOM 0 H LYS A 52 10.815 4.582 -3.818 1.00 10.00 H new ATOM 0 HA LYS A 52 10.908 6.933 -5.497 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.817 4.053 -5.865 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.103 5.328 -7.033 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.472 6.560 -5.392 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.140 5.346 -4.173 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.253 3.620 -5.519 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.479 4.748 -6.841 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.919 6.166 -5.367 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.714 5.007 -4.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.777 4.638 -5.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.743 3.306 -5.461 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.942 4.429 -6.719 1.00 10.00 H new ATOM 813 N ASP A 53 9.035 4.307 -6.206 1.00 10.00 N ATOM 814 CA ASP A 53 7.922 3.823 -7.014 1.00 10.00 C ATOM 815 C ASP A 53 6.612 4.477 -6.599 1.00 10.00 C ATOM 816 O ASP A 53 5.724 4.674 -7.426 1.00 10.00 O ATOM 817 CB ASP A 53 7.799 2.301 -6.906 1.00 10.00 C ATOM 818 CG ASP A 53 8.909 1.570 -7.636 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.876 1.504 -8.884 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.819 1.049 -6.963 1.00 10.00 O ATOM 0 H ASP A 53 9.363 3.643 -5.504 1.00 10.00 H new ATOM 0 HA ASP A 53 8.127 4.092 -8.050 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.811 2.014 -5.855 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.836 1.989 -7.311 1.00 10.00 H new ATOM 825 N ALA A 54 6.488 4.809 -5.321 1.00 10.00 N ATOM 826 CA ALA A 54 5.279 5.450 -4.823 1.00 10.00 C ATOM 827 C ALA A 54 5.313 6.952 -5.089 1.00 10.00 C ATOM 828 O ALA A 54 6.190 7.657 -4.585 1.00 10.00 O ATOM 829 CB ALA A 54 5.105 5.181 -3.338 1.00 10.00 C ATOM 0 H ALA A 54 7.205 4.646 -4.614 1.00 10.00 H new ATOM 0 HA ALA A 54 4.427 5.026 -5.355 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.196 5.668 -2.984 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.030 4.107 -3.169 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.963 5.575 -2.794 1.00 10.00 H new ATOM 835 N PRO A 55 4.371 7.457 -5.905 1.00 10.00 N ATOM 836 CA PRO A 55 4.287 8.883 -6.240 1.00 10.00 C ATOM 837 C PRO A 55 4.180 9.763 -4.997 1.00 10.00 C ATOM 838 O PRO A 55 3.564 9.373 -4.004 1.00 10.00 O ATOM 839 CB PRO A 55 3.011 8.981 -7.084 1.00 10.00 C ATOM 840 CG PRO A 55 2.793 7.611 -7.620 1.00 10.00 C ATOM 841 CD PRO A 55 3.318 6.669 -6.576 1.00 10.00 C ATOM 0 HA PRO A 55 5.179 9.233 -6.759 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.164 9.307 -6.481 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.126 9.706 -7.890 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.735 7.431 -7.811 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.316 7.475 -8.567 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.537 6.366 -5.879 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.719 5.758 -7.021 1.00 10.00 H new ATOM 849 N LYS A 56 4.776 10.950 -5.062 1.00 10.00 N ATOM 850 CA LYS A 56 4.767 11.891 -3.939 1.00 10.00 C ATOM 851 C LYS A 56 3.351 12.179 -3.440 1.00 10.00 C ATOM 852 O LYS A 56 3.116 12.246 -2.230 1.00 10.00 O ATOM 853 CB LYS A 56 5.445 13.202 -4.334 1.00 10.00 C ATOM 854 CG LYS A 56 6.956 13.098 -4.489 1.00 10.00 C ATOM 855 CD LYS A 56 7.604 14.469 -4.461 1.00 10.00 C ATOM 856 CE LYS A 56 9.080 14.403 -4.815 1.00 10.00 C ATOM 857 NZ LYS A 56 9.715 15.744 -4.756 1.00 10.00 N ATOM 0 H LYS A 56 5.275 11.287 -5.885 1.00 10.00 H new ATOM 0 HA LYS A 56 5.321 11.421 -3.127 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.017 13.551 -5.274 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.219 13.957 -3.581 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.365 12.483 -3.688 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.195 12.599 -5.428 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.091 15.128 -5.162 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.487 14.906 -3.469 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.590 13.727 -4.128 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.197 13.988 -5.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.722 15.662 -5.003 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.244 16.381 -5.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.625 16.129 -3.794 1.00 10.00 H new ATOM 871 N GLU A 57 2.412 12.349 -4.366 1.00 10.00 N ATOM 872 CA GLU A 57 1.026 12.630 -4.003 1.00 10.00 C ATOM 873 C GLU A 57 0.416 11.456 -3.244 1.00 10.00 C ATOM 874 O GLU A 57 -0.160 11.630 -2.170 1.00 10.00 O ATOM 875 CB GLU A 57 0.190 12.936 -5.249 1.00 10.00 C ATOM 876 CG GLU A 57 -1.249 13.322 -4.931 1.00 10.00 C ATOM 877 CD GLU A 57 -2.080 13.587 -6.169 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.572 13.399 -7.291 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.250 13.997 -6.026 1.00 10.00 O ATOM 0 H GLU A 57 2.584 12.297 -5.370 1.00 10.00 H new ATOM 0 HA GLU A 57 1.022 13.506 -3.354 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.662 13.747 -5.804 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.189 12.062 -5.900 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.714 12.524 -4.353 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.250 14.213 -4.303 1.00 10.00 H new ATOM 886 N LEU A 58 0.565 10.257 -3.797 1.00 10.00 N ATOM 887 CA LEU A 58 0.023 9.059 -3.170 1.00 10.00 C ATOM 888 C LEU A 58 0.709 8.796 -1.834 1.00 10.00 C ATOM 889 O LEU A 58 0.088 8.305 -0.894 1.00 10.00 O ATOM 890 CB LEU A 58 0.168 7.851 -4.099 1.00 10.00 C ATOM 891 CG LEU A 58 -0.553 7.974 -5.447 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.477 6.665 -6.213 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.006 8.384 -5.246 1.00 10.00 C ATOM 0 H LEU A 58 1.055 10.090 -4.676 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.039 9.220 -2.983 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.228 7.682 -4.286 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.209 6.968 -3.583 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.054 8.748 -6.030 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.994 6.771 -7.167 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.567 6.409 -6.393 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.950 5.874 -5.630 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.498 8.465 -6.215 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.516 7.633 -4.642 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.045 9.347 -4.737 1.00 10.00 H new ATOM 905 N LEU A 59 1.987 9.142 -1.754 1.00 10.00 N ATOM 906 CA LEU A 59 2.751 8.961 -0.529 1.00 10.00 C ATOM 907 C LEU A 59 2.198 9.863 0.570 1.00 10.00 C ATOM 908 O LEU A 59 2.206 9.503 1.746 1.00 10.00 O ATOM 909 CB LEU A 59 4.233 9.260 -0.767 1.00 10.00 C ATOM 910 CG LEU A 59 5.152 8.993 0.428 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.003 7.562 0.911 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.599 9.279 0.061 1.00 10.00 C ATOM 0 H LEU A 59 2.516 9.550 -2.525 1.00 10.00 H new ATOM 0 HA LEU A 59 2.659 7.922 -0.213 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.577 8.661 -1.610 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.334 10.306 -1.056 1.00 10.00 H new ATOM 0 HG LEU A 59 4.860 9.661 1.238 1.00 10.00 H new ATOM 0 HD11 LEU A 59 5.665 7.394 1.761 1.00 10.00 H new ATOM 0 HD12 LEU A 59 3.971 7.386 1.215 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.266 6.877 0.105 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.238 9.084 0.922 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.898 8.636 -0.766 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.699 10.323 -0.236 1.00 10.00 H new ATOM 924 N GLN A 60 1.710 11.034 0.174 1.00 10.00 N ATOM 925 CA GLN A 60 1.127 11.979 1.117 1.00 10.00 C ATOM 926 C GLN A 60 -0.148 11.384 1.701 1.00 10.00 C ATOM 927 O GLN A 60 -0.467 11.578 2.873 1.00 10.00 O ATOM 928 CB GLN A 60 0.830 13.308 0.417 1.00 10.00 C ATOM 929 CG GLN A 60 0.243 14.378 1.330 1.00 10.00 C ATOM 930 CD GLN A 60 1.144 14.725 2.506 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.454 14.657 2.307 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 0.659 15.070 3.582 1.00 10.00 N flip ATOM 0 H GLN A 60 1.707 11.351 -0.796 1.00 10.00 H new ATOM 0 HA GLN A 60 1.833 12.171 1.925 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.752 13.688 -0.023 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.136 13.126 -0.404 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.054 15.280 0.747 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.720 14.035 1.708 1.00 10.00 H new ATOM 0 HE21 GLN A 60 -0.354 15.110 3.696 1.00 10.00 H new ATOM 0 HE22 GLN A 60 1.270 15.316 4.361 1.00 10.00 H new ATOM 941 N MET A 61 -0.861 10.635 0.870 1.00 10.00 N ATOM 942 CA MET A 61 -2.093 9.986 1.291 1.00 10.00 C ATOM 943 C MET A 61 -1.770 8.847 2.249 1.00 10.00 C ATOM 944 O MET A 61 -2.515 8.582 3.194 1.00 10.00 O ATOM 945 CB MET A 61 -2.859 9.449 0.079 1.00 10.00 C ATOM 946 CG MET A 61 -3.163 10.508 -0.969 1.00 10.00 C ATOM 947 SD MET A 61 -3.994 9.830 -2.420 1.00 10.00 S ATOM 948 CE MET A 61 -5.556 9.328 -1.704 1.00 10.00 C ATOM 0 H MET A 61 -0.605 10.462 -0.102 1.00 10.00 H new ATOM 0 HA MET A 61 -2.720 10.719 1.799 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.278 8.650 -0.382 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.796 9.007 0.419 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.788 11.283 -0.526 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.233 10.986 -1.278 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.199 8.920 -2.484 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.380 8.567 -0.944 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.041 10.191 -1.248 1.00 10.00 H new ATOM 958 N LEU A 62 -0.639 8.193 2.007 1.00 10.00 N ATOM 959 CA LEU A 62 -0.194 7.086 2.842 1.00 10.00 C ATOM 960 C LEU A 62 0.214 7.594 4.215 1.00 10.00 C ATOM 961 O LEU A 62 0.092 6.882 5.208 1.00 10.00 O ATOM 962 CB LEU A 62 0.977 6.353 2.190 1.00 10.00 C ATOM 963 CG LEU A 62 0.676 5.739 0.824 1.00 10.00 C ATOM 964 CD1 LEU A 62 1.855 4.913 0.337 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.585 4.888 0.888 1.00 10.00 C ATOM 0 H LEU A 62 -0.011 8.413 1.234 1.00 10.00 H new ATOM 0 HA LEU A 62 -1.023 6.387 2.952 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.808 7.050 2.083 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.310 5.562 2.862 1.00 10.00 H new ATOM 0 HG LEU A 62 0.509 6.548 0.113 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.621 4.484 -0.637 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.735 5.550 0.251 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.056 4.111 1.048 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.784 4.458 -0.094 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.447 4.086 1.613 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.428 5.509 1.190 1.00 10.00 H new ATOM 977 N GLU A 63 0.698 8.831 4.257 1.00 10.00 N ATOM 978 CA GLU A 63 1.112 9.453 5.507 1.00 10.00 C ATOM 979 C GLU A 63 -0.086 9.611 6.439 1.00 10.00 C ATOM 980 O GLU A 63 0.049 9.528 7.660 1.00 10.00 O ATOM 981 CB GLU A 63 1.755 10.817 5.237 1.00 10.00 C ATOM 982 CG GLU A 63 3.209 10.730 4.805 1.00 10.00 C ATOM 983 CD GLU A 63 4.116 10.259 5.922 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.214 10.961 6.952 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.734 9.185 5.782 1.00 10.00 O ATOM 0 H GLU A 63 0.813 9.424 3.435 1.00 10.00 H new ATOM 0 HA GLU A 63 1.849 8.810 5.988 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.185 11.331 4.463 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.689 11.425 6.139 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.294 10.047 3.960 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.542 11.709 4.459 1.00 10.00 H new ATOM 992 N LYS A 64 -1.260 9.812 5.851 1.00 10.00 N ATOM 993 CA LYS A 64 -2.486 9.974 6.622 1.00 10.00 C ATOM 994 C LYS A 64 -2.916 8.641 7.233 1.00 10.00 C ATOM 995 O LYS A 64 -3.573 8.605 8.272 1.00 10.00 O ATOM 996 CB LYS A 64 -3.612 10.520 5.736 1.00 10.00 C ATOM 997 CG LYS A 64 -3.260 11.806 4.999 1.00 10.00 C ATOM 998 CD LYS A 64 -4.450 12.346 4.220 1.00 10.00 C ATOM 999 CE LYS A 64 -4.061 13.537 3.359 1.00 10.00 C ATOM 1000 NZ LYS A 64 -5.248 14.192 2.753 1.00 10.00 N ATOM 0 H LYS A 64 -1.388 9.867 4.841 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.288 10.685 7.424 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.885 9.759 5.005 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.492 10.698 6.355 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.922 12.556 5.714 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.431 11.620 4.316 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.860 11.558 3.588 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.237 12.640 4.914 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.517 14.261 3.965 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -3.384 13.209 2.570 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.941 14.999 2.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.754 13.508 2.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.882 14.528 3.506 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.531 7.548 6.581 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.885 6.211 7.046 1.00 10.00 C ATOM 1016 C GLN A 65 -1.703 5.545 7.742 1.00 10.00 C ATOM 1017 O GLN A 65 -1.731 4.346 8.038 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.358 5.350 5.870 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.566 5.923 5.144 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.739 6.173 6.075 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.857 7.245 6.667 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.619 5.194 6.203 1.00 10.00 N ATOM 0 H GLN A 65 -1.973 7.562 5.727 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.697 6.305 7.767 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.538 5.236 5.161 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.603 4.353 6.236 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.285 6.858 4.660 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.872 5.235 4.356 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.486 4.319 5.695 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.430 5.314 6.809 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.664 6.325 7.999 1.00 10.00 N ATOM 1032 CA LYS A 66 0.521 5.816 8.670 1.00 10.00 C ATOM 1033 C LYS A 66 0.249 5.694 10.166 1.00 10.00 C ATOM 1034 O LYS A 66 0.296 6.681 10.903 1.00 10.00 O ATOM 1035 CB LYS A 66 1.718 6.736 8.411 1.00 10.00 C ATOM 1036 CG LYS A 66 3.061 6.127 8.791 1.00 10.00 C ATOM 1037 CD LYS A 66 4.210 7.050 8.420 1.00 10.00 C ATOM 1038 CE LYS A 66 4.234 8.291 9.297 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.217 9.295 8.814 1.00 10.00 N ATOM 0 H LYS A 66 -0.618 7.314 7.753 1.00 10.00 H new ATOM 0 HA LYS A 66 0.761 4.830 8.273 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.737 7.001 7.354 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.579 7.662 8.970 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.083 5.928 9.863 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.184 5.169 8.287 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.154 6.515 8.519 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.119 7.344 7.374 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.240 8.738 9.319 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.479 8.007 10.320 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.798 9.624 9.612 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.831 8.862 8.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.712 10.103 8.397 1.00 10.00 H new ATOM 1053 N LYS A 67 -0.061 4.484 10.601 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.368 4.230 12.001 1.00 10.00 C ATOM 1055 C LYS A 67 0.742 3.428 12.661 1.00 10.00 C ATOM 1056 O LYS A 67 1.692 3.012 11.995 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.699 3.485 12.121 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.856 4.208 11.450 1.00 10.00 C ATOM 1059 CD LYS A 67 -4.097 3.336 11.381 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.239 4.048 10.668 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.432 3.175 10.507 1.00 10.00 N ATOM 0 H LYS A 67 -0.107 3.659 10.003 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.449 5.189 12.514 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.594 2.494 11.679 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.933 3.341 13.176 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -3.083 5.121 12.000 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.564 4.506 10.443 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.863 2.408 10.859 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.409 3.064 12.389 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.517 4.939 11.230 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.901 4.382 9.687 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.206 3.721 10.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.193 2.371 9.892 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.732 2.822 11.438 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.851 -12.405 -0.819 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.648 -12.443 -1.636 1.00 10.00 C ATOM 1107 C GLU B 6 0.601 -12.485 -0.762 1.00 10.00 C ATOM 1108 O GLU B 6 0.556 -12.134 0.418 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.593 -11.232 -2.576 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.561 -9.883 -1.864 1.00 10.00 C ATOM 1111 CD GLU B 6 -1.944 -9.345 -1.546 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.426 -8.460 -2.281 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.562 -9.813 -0.567 1.00 10.00 O ATOM 0 HA GLU B 6 -0.680 -13.351 -2.238 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.292 -11.317 -3.207 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.460 -11.260 -3.236 1.00 10.00 H new ATOM 0 HG2 GLU B 6 0.006 -9.981 -0.938 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.032 -9.162 -2.487 1.00 10.00 H new ATOM 1120 N GLU B 7 1.705 -12.919 -1.352 1.00 10.00 N ATOM 1121 CA GLU B 7 2.979 -13.005 -0.650 1.00 10.00 C ATOM 1122 C GLU B 7 3.988 -12.066 -1.297 1.00 10.00 C ATOM 1123 O GLU B 7 3.936 -11.828 -2.508 1.00 10.00 O ATOM 1124 CB GLU B 7 3.510 -14.441 -0.654 1.00 10.00 C ATOM 1125 CG GLU B 7 2.676 -15.398 0.186 1.00 10.00 C ATOM 1126 CD GLU B 7 2.477 -14.907 1.607 1.00 10.00 C ATOM 1127 OE1 GLU B 7 1.365 -15.080 2.144 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.427 -14.342 2.189 1.00 10.00 O ATOM 0 H GLU B 7 1.744 -13.220 -2.326 1.00 10.00 H new ATOM 0 HA GLU B 7 2.825 -12.706 0.387 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.543 -14.805 -1.681 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.535 -14.442 -0.283 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.703 -15.536 -0.286 1.00 10.00 H new ATOM 0 HG3 GLU B 7 3.161 -16.374 0.208 1.00 10.00 H new ATOM 1135 N GLU B 8 4.905 -11.541 -0.496 1.00 10.00 N ATOM 1136 CA GLU B 8 5.910 -10.609 -0.989 1.00 10.00 C ATOM 1137 C GLU B 8 7.318 -11.111 -0.688 1.00 10.00 C ATOM 1138 O GLU B 8 7.644 -12.267 -0.957 1.00 10.00 O ATOM 1139 CB GLU B 8 5.712 -9.236 -0.350 1.00 10.00 C ATOM 1140 CG GLU B 8 4.343 -8.637 -0.594 1.00 10.00 C ATOM 1141 CD GLU B 8 4.357 -7.133 -0.476 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.265 -6.451 -1.520 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.485 -6.633 0.660 1.00 10.00 O ATOM 0 H GLU B 8 4.974 -11.745 0.501 1.00 10.00 H new ATOM 0 HA GLU B 8 5.792 -10.530 -2.070 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.875 -9.319 0.725 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.470 -8.554 -0.735 1.00 10.00 H new ATOM 0 HG2 GLU B 8 3.995 -8.920 -1.587 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.633 -9.051 0.122 1.00 10.00 H new ATOM 1150 N GLY B 9 8.149 -10.233 -0.133 1.00 10.00 N ATOM 1151 CA GLY B 9 9.510 -10.597 0.193 1.00 10.00 C ATOM 1152 C GLY B 9 10.522 -9.830 -0.632 1.00 10.00 C ATOM 1153 O GLY B 9 10.817 -10.206 -1.765 1.00 10.00 O ATOM 0 H GLY B 9 7.899 -9.271 0.096 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.690 -10.410 1.252 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.647 -11.666 0.030 1.00 10.00 H new ATOM 1157 N GLU B 10 11.044 -8.750 -0.074 1.00 10.00 N ATOM 1158 CA GLU B 10 12.031 -7.935 -0.770 1.00 10.00 C ATOM 1159 C GLU B 10 13.327 -7.889 0.024 1.00 10.00 C ATOM 1160 O GLU B 10 13.314 -7.655 1.235 1.00 10.00 O ATOM 1161 CB GLU B 10 11.512 -6.513 -0.993 1.00 10.00 C ATOM 1162 CG GLU B 10 11.850 -5.954 -2.365 1.00 10.00 C ATOM 1163 CD GLU B 10 11.572 -6.939 -3.484 1.00 10.00 C ATOM 1164 OE1 GLU B 10 12.511 -7.634 -3.920 1.00 10.00 O ATOM 1165 OE2 GLU B 10 10.412 -7.030 -3.929 1.00 10.00 O ATOM 0 H GLU B 10 10.802 -8.416 0.859 1.00 10.00 H new ATOM 0 HA GLU B 10 12.218 -8.391 -1.742 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.430 -6.505 -0.862 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.930 -5.858 -0.229 1.00 10.00 H new ATOM 0 HG2 GLU B 10 11.272 -5.045 -2.535 1.00 10.00 H new ATOM 0 HG3 GLU B 10 12.903 -5.672 -2.388 1.00 10.00 H new ATOM 1172 N GLU B 11 14.439 -8.122 -0.655 1.00 10.00 N ATOM 1173 CA GLU B 11 15.739 -8.101 -0.008 1.00 10.00 C ATOM 1174 C GLU B 11 16.162 -6.664 0.259 1.00 10.00 C ATOM 1175 O GLU B 11 16.533 -5.932 -0.661 1.00 10.00 O ATOM 1176 CB GLU B 11 16.782 -8.806 -0.876 1.00 10.00 C ATOM 1177 CG GLU B 11 18.023 -9.237 -0.113 1.00 10.00 C ATOM 1178 CD GLU B 11 17.704 -10.200 1.009 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.694 -9.773 2.183 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.458 -11.390 0.721 1.00 10.00 O ATOM 0 H GLU B 11 14.466 -8.328 -1.654 1.00 10.00 H new ATOM 0 HA GLU B 11 15.665 -8.632 0.941 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.326 -9.683 -1.335 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.078 -8.139 -1.686 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.725 -9.706 -0.802 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.518 -8.357 0.297 1.00 10.00 H new ATOM 1187 N TYR B 12 16.077 -6.258 1.515 1.00 10.00 N ATOM 1188 CA TYR B 12 16.445 -4.906 1.912 1.00 10.00 C ATOM 1189 C TYR B 12 17.937 -4.671 1.708 1.00 10.00 C ATOM 1190 O TYR B 12 18.748 -5.580 1.919 1.00 10.00 O ATOM 1191 CB TYR B 12 16.078 -4.674 3.376 1.00 10.00 C ATOM 1192 CG TYR B 12 15.365 -3.366 3.631 1.00 10.00 C ATOM 1193 CD1 TYR B 12 15.896 -2.163 3.189 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.159 -3.339 4.319 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.242 -0.967 3.422 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.501 -2.150 4.557 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.045 -0.966 4.107 1.00 10.00 C ATOM 1198 OH TYR B 12 13.393 0.220 4.347 1.00 10.00 O ATOM 0 H TYR B 12 15.755 -6.848 2.282 1.00 10.00 H new ATOM 0 HA TYR B 12 15.895 -4.202 1.287 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.445 -5.494 3.715 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.987 -4.704 3.977 1.00 10.00 H new ATOM 0 HD1 TYR B 12 16.835 -2.160 2.655 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.729 -4.264 4.674 1.00 10.00 H new ATOM 0 HE1 TYR B 12 15.666 -0.039 3.069 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.564 -2.147 5.094 1.00 10.00 H new ATOM 0 HH TYR B 12 13.277 0.340 5.313 1.00 10.00 H new