USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=22 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+ -156:sc= 2.37 (180deg=0.139) USER MOD Set 1.2: A 37 TYR OH : rot -132:sc= 2.37 USER MOD Single : A 2 SER OG : rot -139:sc= 1.24 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 4 MET CE :methyl -164:sc= -0.0665 (180deg=-0.457) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.24) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.15) USER MOD Single : A 11 TYR OH : rot 14:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0287 F(o=-1.3!,f=-0.029) USER MOD Single : A 21 SER OG : rot -82:sc= 1.14 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -1.16 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.18) USER MOD Single : A 34 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-1.8!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -1.85! (180deg=-2.06!) USER MOD Single : A 46 MET CE :methyl -150:sc= 0 (180deg=-0.249) USER MOD Single : A 48 MET CE :methyl 146:sc= -1.23 (180deg=-3.31!) USER MOD Single : A 50 SER OG : rot -105:sc= 1.54 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= -0.161 F(o=-0.83,f=-0.16) USER MOD Single : A 61 MET CE :methyl 178:sc= -0.244 (180deg=-0.259) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.228 X(o=-0.23,f=0.11) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 0.807 (180deg=-0.882!) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.09) USER MOD Single : B 12 TYR OH : rot 90:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.287 2.838 -5.271 1.00 10.00 N ATOM 9 CA SER A 2 -16.682 3.471 -4.114 1.00 10.00 C ATOM 10 C SER A 2 -16.709 4.986 -4.276 1.00 10.00 C ATOM 11 O SER A 2 -16.512 5.505 -5.376 1.00 10.00 O ATOM 12 CB SER A 2 -15.242 2.982 -3.934 1.00 10.00 C ATOM 13 OG SER A 2 -14.811 3.119 -2.588 1.00 10.00 O ATOM 0 HA SER A 2 -17.253 3.201 -3.226 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.171 1.937 -4.235 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.580 3.548 -4.589 1.00 10.00 H new ATOM 0 HG SER A 2 -13.887 3.444 -2.572 1.00 10.00 H new ATOM 19 N HIS A 3 -16.965 5.687 -3.184 1.00 10.00 N ATOM 20 CA HIS A 3 -17.025 7.143 -3.212 1.00 10.00 C ATOM 21 C HIS A 3 -15.836 7.742 -2.474 1.00 10.00 C ATOM 22 O HIS A 3 -15.777 8.950 -2.236 1.00 10.00 O ATOM 23 CB HIS A 3 -18.335 7.639 -2.591 1.00 10.00 C ATOM 24 CG HIS A 3 -19.536 7.430 -3.466 1.00 10.00 C ATOM 25 ND1 HIS A 3 -20.101 8.466 -4.177 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.240 6.296 -3.708 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.125 7.941 -4.830 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.247 6.634 -4.574 1.00 10.00 N ATOM 0 H HIS A 3 -17.135 5.274 -2.267 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.988 7.465 -4.253 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.494 7.126 -1.643 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -18.241 8.701 -2.367 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.045 5.316 -3.298 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.779 8.497 -5.486 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.956 6.006 -4.952 1.00 10.00 H new ATOM 36 N MET A 4 -14.882 6.894 -2.120 1.00 10.00 N ATOM 37 CA MET A 4 -13.695 7.334 -1.401 1.00 10.00 C ATOM 38 C MET A 4 -12.527 7.517 -2.362 1.00 10.00 C ATOM 39 O MET A 4 -12.695 7.431 -3.580 1.00 10.00 O ATOM 40 CB MET A 4 -13.324 6.320 -0.317 1.00 10.00 C ATOM 41 CG MET A 4 -14.482 5.933 0.589 1.00 10.00 C ATOM 42 SD MET A 4 -15.207 7.343 1.447 1.00 10.00 S ATOM 43 CE MET A 4 -13.815 7.894 2.430 1.00 10.00 C ATOM 0 H MET A 4 -14.907 5.894 -2.320 1.00 10.00 H new ATOM 0 HA MET A 4 -13.915 8.292 -0.929 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.932 5.421 -0.793 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.521 6.733 0.293 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.252 5.441 -0.005 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.134 5.207 1.324 1.00 10.00 H new ATOM 0 HE1 MET A 4 -14.166 8.564 3.215 1.00 10.00 H new ATOM 0 HE2 MET A 4 -13.324 7.032 2.881 1.00 10.00 H new ATOM 0 HE3 MET A 4 -13.106 8.423 1.793 1.00 10.00 H new ATOM 53 N ALA A 5 -11.348 7.772 -1.814 1.00 10.00 N ATOM 54 CA ALA A 5 -10.153 7.965 -2.621 1.00 10.00 C ATOM 55 C ALA A 5 -9.414 6.645 -2.818 1.00 10.00 C ATOM 56 O ALA A 5 -9.211 5.888 -1.868 1.00 10.00 O ATOM 57 CB ALA A 5 -9.238 8.993 -1.973 1.00 10.00 C ATOM 0 H ALA A 5 -11.193 7.850 -0.809 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.457 8.335 -3.600 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.348 9.127 -2.588 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.764 9.944 -1.884 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.945 8.646 -0.982 1.00 10.00 H new ATOM 63 N THR A 6 -9.024 6.373 -4.051 1.00 10.00 N ATOM 64 CA THR A 6 -8.311 5.148 -4.374 1.00 10.00 C ATOM 65 C THR A 6 -6.821 5.418 -4.580 1.00 10.00 C ATOM 66 O THR A 6 -6.437 6.341 -5.304 1.00 10.00 O ATOM 67 CB THR A 6 -8.895 4.488 -5.636 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.846 5.370 -6.249 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.565 3.163 -5.295 1.00 10.00 C ATOM 0 H THR A 6 -9.190 6.987 -4.849 1.00 10.00 H new ATOM 0 HA THR A 6 -8.432 4.468 -3.531 1.00 10.00 H new ATOM 0 HB THR A 6 -8.079 4.292 -6.331 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.214 4.947 -7.053 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.970 2.716 -6.203 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.832 2.488 -4.854 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.373 3.336 -4.584 1.00 10.00 H new ATOM 77 N VAL A 7 -5.991 4.619 -3.932 1.00 10.00 N ATOM 78 CA VAL A 7 -4.549 4.763 -4.037 1.00 10.00 C ATOM 79 C VAL A 7 -3.966 3.629 -4.875 1.00 10.00 C ATOM 80 O VAL A 7 -4.375 2.476 -4.739 1.00 10.00 O ATOM 81 CB VAL A 7 -3.882 4.762 -2.644 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.431 5.205 -2.736 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.650 5.648 -1.676 1.00 10.00 C ATOM 0 H VAL A 7 -6.294 3.859 -3.323 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.347 5.719 -4.519 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.903 3.741 -2.264 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.984 5.196 -1.742 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.883 4.523 -3.387 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.384 6.214 -3.146 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.161 5.631 -0.702 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.669 6.670 -2.055 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.671 5.279 -1.576 1.00 10.00 H new ATOM 93 N LYS A 8 -3.028 3.962 -5.751 1.00 10.00 N ATOM 94 CA LYS A 8 -2.390 2.968 -6.599 1.00 10.00 C ATOM 95 C LYS A 8 -1.028 2.598 -6.036 1.00 10.00 C ATOM 96 O LYS A 8 -0.279 3.466 -5.587 1.00 10.00 O ATOM 97 CB LYS A 8 -2.248 3.484 -8.032 1.00 10.00 C ATOM 98 CG LYS A 8 -3.544 3.438 -8.822 1.00 10.00 C ATOM 99 CD LYS A 8 -3.297 3.616 -10.309 1.00 10.00 C ATOM 100 CE LYS A 8 -4.560 3.362 -11.114 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.272 3.242 -12.567 1.00 10.00 N ATOM 0 H LYS A 8 -2.692 4.915 -5.892 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.020 2.079 -6.618 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.884 4.511 -8.006 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.494 2.891 -8.550 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -4.044 2.486 -8.647 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.215 4.220 -8.468 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.938 4.627 -10.501 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.513 2.932 -10.634 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -5.038 2.448 -10.761 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.266 4.176 -10.949 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.049 2.732 -13.034 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -4.181 4.191 -12.982 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.384 2.718 -12.703 1.00 10.00 H new ATOM 115 N PHE A 9 -0.713 1.316 -6.059 1.00 10.00 N ATOM 116 CA PHE A 9 0.554 0.833 -5.528 1.00 10.00 C ATOM 117 C PHE A 9 1.287 -0.023 -6.545 1.00 10.00 C ATOM 118 O PHE A 9 0.686 -0.546 -7.482 1.00 10.00 O ATOM 119 CB PHE A 9 0.321 0.010 -4.262 1.00 10.00 C ATOM 120 CG PHE A 9 -0.226 0.800 -3.109 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.593 0.890 -2.897 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.630 1.449 -2.236 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.095 1.614 -1.833 1.00 10.00 C ATOM 124 CE2 PHE A 9 0.134 2.173 -1.171 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.231 2.256 -0.969 1.00 10.00 C ATOM 0 H PHE A 9 -1.316 0.587 -6.440 1.00 10.00 H new ATOM 0 HA PHE A 9 1.165 1.705 -5.295 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.369 -0.802 -4.492 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.263 -0.447 -3.960 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.272 0.389 -3.571 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.697 1.388 -2.390 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.162 1.678 -1.677 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.812 2.674 -0.496 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.621 2.822 -0.136 1.00 10.00 H new ATOM 135 N LYS A 10 2.587 -0.164 -6.346 1.00 10.00 N ATOM 136 CA LYS A 10 3.414 -0.975 -7.222 1.00 10.00 C ATOM 137 C LYS A 10 3.862 -2.223 -6.471 1.00 10.00 C ATOM 138 O LYS A 10 4.973 -2.289 -5.946 1.00 10.00 O ATOM 139 CB LYS A 10 4.623 -0.174 -7.714 1.00 10.00 C ATOM 140 CG LYS A 10 5.443 -0.888 -8.778 1.00 10.00 C ATOM 141 CD LYS A 10 6.612 -0.031 -9.239 1.00 10.00 C ATOM 142 CE LYS A 10 7.608 -0.828 -10.060 1.00 10.00 C ATOM 143 NZ LYS A 10 8.772 -0.003 -10.476 1.00 10.00 N ATOM 0 H LYS A 10 3.095 0.277 -5.579 1.00 10.00 H new ATOM 0 HA LYS A 10 2.834 -1.271 -8.096 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.277 0.779 -8.115 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.267 0.053 -6.864 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.815 -1.832 -8.381 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.807 -1.129 -9.630 1.00 10.00 H new ATOM 0 HD2 LYS A 10 6.239 0.804 -9.832 1.00 10.00 H new ATOM 0 HD3 LYS A 10 7.115 0.394 -8.371 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.957 -1.681 -9.478 1.00 10.00 H new ATOM 0 HE3 LYS A 10 7.112 -1.227 -10.945 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.452 -0.597 -10.991 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.448 0.768 -11.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 9.231 0.399 -9.634 1.00 10.00 H new ATOM 157 N TYR A 11 2.972 -3.198 -6.406 1.00 10.00 N ATOM 158 CA TYR A 11 3.235 -4.451 -5.715 1.00 10.00 C ATOM 159 C TYR A 11 4.072 -5.377 -6.595 1.00 10.00 C ATOM 160 O TYR A 11 3.570 -5.950 -7.560 1.00 10.00 O ATOM 161 CB TYR A 11 1.900 -5.107 -5.317 1.00 10.00 C ATOM 162 CG TYR A 11 1.969 -6.602 -5.074 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.004 -7.167 -4.343 1.00 10.00 C ATOM 164 CD2 TYR A 11 0.989 -7.446 -5.581 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.062 -8.526 -4.130 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.041 -8.808 -5.368 1.00 10.00 C ATOM 167 CZ TYR A 11 2.082 -9.343 -4.641 1.00 10.00 C ATOM 168 OH TYR A 11 2.143 -10.701 -4.420 1.00 10.00 O ATOM 0 H TYR A 11 2.046 -3.145 -6.830 1.00 10.00 H new ATOM 0 HA TYR A 11 3.807 -4.255 -4.808 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.530 -4.624 -4.413 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.169 -4.915 -6.103 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.776 -6.531 -3.935 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.172 -7.029 -6.152 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.877 -8.950 -3.562 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.271 -9.451 -5.768 1.00 10.00 H new ATOM 0 HH TYR A 11 2.798 -10.889 -3.715 1.00 10.00 H new ATOM 178 N LYS A 12 5.355 -5.496 -6.257 1.00 10.00 N ATOM 179 CA LYS A 12 6.292 -6.344 -7.003 1.00 10.00 C ATOM 180 C LYS A 12 6.335 -5.954 -8.479 1.00 10.00 C ATOM 181 O LYS A 12 6.669 -6.767 -9.341 1.00 10.00 O ATOM 182 CB LYS A 12 5.910 -7.824 -6.857 1.00 10.00 C ATOM 183 CG LYS A 12 6.480 -8.480 -5.607 1.00 10.00 C ATOM 184 CD LYS A 12 7.963 -8.773 -5.763 1.00 10.00 C ATOM 185 CE LYS A 12 8.534 -9.421 -4.515 1.00 10.00 C ATOM 186 NZ LYS A 12 9.203 -10.714 -4.820 1.00 10.00 N ATOM 0 H LYS A 12 5.775 -5.012 -5.464 1.00 10.00 H new ATOM 0 HA LYS A 12 7.286 -6.193 -6.583 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.824 -7.910 -6.839 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.259 -8.369 -7.734 1.00 10.00 H new ATOM 0 HG2 LYS A 12 6.325 -7.827 -4.748 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.944 -9.407 -5.404 1.00 10.00 H new ATOM 0 HD2 LYS A 12 8.117 -9.430 -6.619 1.00 10.00 H new ATOM 0 HD3 LYS A 12 8.498 -7.847 -5.971 1.00 10.00 H new ATOM 0 HE2 LYS A 12 9.249 -8.743 -4.048 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.734 -9.587 -3.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.580 -11.125 -3.942 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 8.515 -11.370 -5.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.983 -10.552 -5.489 1.00 10.00 H new ATOM 200 N GLY A 13 6.001 -4.702 -8.763 1.00 10.00 N ATOM 201 CA GLY A 13 5.994 -4.225 -10.131 1.00 10.00 C ATOM 202 C GLY A 13 4.595 -4.160 -10.710 1.00 10.00 C ATOM 203 O GLY A 13 4.371 -3.510 -11.730 1.00 10.00 O ATOM 0 H GLY A 13 5.734 -4.006 -8.067 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.448 -3.235 -10.170 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.609 -4.882 -10.746 1.00 10.00 H new ATOM 207 N GLU A 14 3.656 -4.823 -10.051 1.00 10.00 N ATOM 208 CA GLU A 14 2.271 -4.847 -10.498 1.00 10.00 C ATOM 209 C GLU A 14 1.513 -3.643 -9.952 1.00 10.00 C ATOM 210 O GLU A 14 1.649 -3.292 -8.781 1.00 10.00 O ATOM 211 CB GLU A 14 1.595 -6.139 -10.042 1.00 10.00 C ATOM 212 CG GLU A 14 0.152 -6.276 -10.500 1.00 10.00 C ATOM 213 CD GLU A 14 -0.464 -7.600 -10.102 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.279 -8.590 -10.841 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.135 -7.661 -9.051 1.00 10.00 O ATOM 0 H GLU A 14 3.830 -5.355 -9.199 1.00 10.00 H new ATOM 0 HA GLU A 14 2.258 -4.803 -11.587 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.167 -6.988 -10.417 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.626 -6.189 -8.954 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.438 -5.463 -10.076 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.108 -6.171 -11.584 1.00 10.00 H new ATOM 222 N GLU A 15 0.717 -3.015 -10.802 1.00 10.00 N ATOM 223 CA GLU A 15 -0.057 -1.852 -10.399 1.00 10.00 C ATOM 224 C GLU A 15 -1.361 -2.275 -9.731 1.00 10.00 C ATOM 225 O GLU A 15 -2.271 -2.794 -10.385 1.00 10.00 O ATOM 226 CB GLU A 15 -0.348 -0.966 -11.607 1.00 10.00 C ATOM 227 CG GLU A 15 -0.988 0.365 -11.244 1.00 10.00 C ATOM 228 CD GLU A 15 -1.150 1.277 -12.440 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.133 1.811 -12.927 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.297 1.471 -12.894 1.00 10.00 O ATOM 0 H GLU A 15 0.590 -3.291 -11.776 1.00 10.00 H new ATOM 0 HA GLU A 15 0.530 -1.284 -9.678 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.583 -0.778 -12.142 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.006 -1.502 -12.290 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.964 0.184 -10.795 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.378 0.864 -10.491 1.00 10.00 H new ATOM 237 N LYS A 16 -1.443 -2.056 -8.430 1.00 10.00 N ATOM 238 CA LYS A 16 -2.629 -2.407 -7.667 1.00 10.00 C ATOM 239 C LYS A 16 -3.439 -1.159 -7.334 1.00 10.00 C ATOM 240 O LYS A 16 -2.934 -0.038 -7.432 1.00 10.00 O ATOM 241 CB LYS A 16 -2.253 -3.150 -6.384 1.00 10.00 C ATOM 242 CG LYS A 16 -2.389 -4.659 -6.498 1.00 10.00 C ATOM 243 CD LYS A 16 -2.211 -5.335 -5.149 1.00 10.00 C ATOM 244 CE LYS A 16 -2.495 -6.828 -5.220 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.726 -7.200 -4.471 1.00 10.00 N ATOM 0 H LYS A 16 -0.697 -1.634 -7.877 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.241 -3.069 -8.280 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.225 -2.904 -6.119 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.885 -2.796 -5.570 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -3.369 -4.908 -6.905 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.647 -5.041 -7.199 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.193 -5.176 -4.795 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.878 -4.873 -4.421 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.601 -7.127 -6.263 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.645 -7.378 -4.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.675 -8.201 -4.195 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.805 -6.610 -3.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.559 -7.049 -5.075 1.00 10.00 H new ATOM 259 N GLN A 17 -4.689 -1.365 -6.945 1.00 10.00 N ATOM 260 CA GLN A 17 -5.584 -0.269 -6.607 1.00 10.00 C ATOM 261 C GLN A 17 -6.307 -0.561 -5.296 1.00 10.00 C ATOM 262 O GLN A 17 -7.128 -1.477 -5.218 1.00 10.00 O ATOM 263 CB GLN A 17 -6.594 -0.065 -7.737 1.00 10.00 C ATOM 264 CG GLN A 17 -7.592 1.052 -7.489 1.00 10.00 C ATOM 265 CD GLN A 17 -8.639 1.154 -8.586 1.00 10.00 C ATOM 266 OE1 GLN A 17 -8.990 0.026 -9.184 1.00 10.00 O flip ATOM 267 NE2 GLN A 17 -9.132 2.241 -8.892 1.00 10.00 N flip ATOM 0 H GLN A 17 -5.109 -2.290 -6.855 1.00 10.00 H new ATOM 0 HA GLN A 17 -5.000 0.643 -6.481 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -6.052 0.146 -8.659 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.139 -0.996 -7.893 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -8.088 0.886 -6.533 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -7.059 2.000 -7.411 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -8.836 3.089 -8.409 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -9.836 2.293 -9.629 1.00 10.00 H new ATOM 276 N VAL A 18 -5.992 0.210 -4.268 1.00 10.00 N ATOM 277 CA VAL A 18 -6.609 0.027 -2.964 1.00 10.00 C ATOM 278 C VAL A 18 -7.300 1.305 -2.505 1.00 10.00 C ATOM 279 O VAL A 18 -6.724 2.388 -2.575 1.00 10.00 O ATOM 280 CB VAL A 18 -5.570 -0.393 -1.901 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.247 -0.682 -0.570 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.781 -1.605 -2.366 1.00 10.00 C ATOM 0 H VAL A 18 -5.312 0.969 -4.311 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.347 -0.768 -3.070 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.877 0.437 -1.763 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.496 -0.976 0.164 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.763 0.213 -0.222 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -6.967 -1.490 -0.696 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.056 -1.882 -1.601 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.462 -2.438 -2.539 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.258 -1.365 -3.292 1.00 10.00 H new ATOM 292 N ASP A 19 -8.538 1.177 -2.054 1.00 10.00 N ATOM 293 CA ASP A 19 -9.299 2.323 -1.572 1.00 10.00 C ATOM 294 C ASP A 19 -8.846 2.697 -0.163 1.00 10.00 C ATOM 295 O ASP A 19 -8.486 1.825 0.632 1.00 10.00 O ATOM 296 CB ASP A 19 -10.795 2.010 -1.584 1.00 10.00 C ATOM 297 CG ASP A 19 -11.647 3.231 -1.308 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.708 3.666 -0.140 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.266 3.750 -2.261 1.00 10.00 O ATOM 0 H ASP A 19 -9.040 0.290 -2.011 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.118 3.169 -2.235 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.067 1.593 -2.553 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.009 1.246 -0.837 1.00 10.00 H new ATOM 304 N ILE A 20 -8.872 3.988 0.150 1.00 10.00 N ATOM 305 CA ILE A 20 -8.445 4.476 1.456 1.00 10.00 C ATOM 306 C ILE A 20 -9.274 3.876 2.597 1.00 10.00 C ATOM 307 O ILE A 20 -8.762 3.680 3.702 1.00 10.00 O ATOM 308 CB ILE A 20 -8.504 6.022 1.523 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.949 6.521 2.860 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.928 6.521 1.310 1.00 10.00 C ATOM 311 CD1 ILE A 20 -8.009 8.027 3.028 1.00 10.00 C ATOM 0 H ILE A 20 -9.186 4.719 -0.488 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.412 4.153 1.584 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.884 6.423 0.721 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.507 6.053 3.671 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.913 6.196 2.956 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.944 7.610 1.362 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.284 6.199 0.331 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.577 6.112 2.085 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -7.598 8.301 3.999 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -7.427 8.505 2.240 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -9.045 8.359 2.966 1.00 10.00 H new ATOM 323 N SER A 21 -10.535 3.553 2.327 1.00 10.00 N ATOM 324 CA SER A 21 -11.404 2.989 3.353 1.00 10.00 C ATOM 325 C SER A 21 -11.045 1.535 3.639 1.00 10.00 C ATOM 326 O SER A 21 -11.400 0.993 4.683 1.00 10.00 O ATOM 327 CB SER A 21 -12.877 3.111 2.938 1.00 10.00 C ATOM 328 OG SER A 21 -13.115 2.517 1.672 1.00 10.00 O ATOM 0 H SER A 21 -10.975 3.671 1.414 1.00 10.00 H new ATOM 0 HA SER A 21 -11.255 3.558 4.271 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.507 2.634 3.688 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.160 4.163 2.906 1.00 10.00 H new ATOM 0 HG SER A 21 -12.873 3.149 0.963 1.00 10.00 H new ATOM 334 N LYS A 22 -10.311 0.918 2.723 1.00 10.00 N ATOM 335 CA LYS A 22 -9.914 -0.474 2.876 1.00 10.00 C ATOM 336 C LYS A 22 -8.565 -0.582 3.576 1.00 10.00 C ATOM 337 O LYS A 22 -8.215 -1.635 4.107 1.00 10.00 O ATOM 338 CB LYS A 22 -9.857 -1.161 1.510 1.00 10.00 C ATOM 339 CG LYS A 22 -11.184 -1.128 0.774 1.00 10.00 C ATOM 340 CD LYS A 22 -11.098 -1.814 -0.582 1.00 10.00 C ATOM 341 CE LYS A 22 -12.454 -1.846 -1.267 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.411 -2.559 -2.570 1.00 10.00 N ATOM 0 H LYS A 22 -9.979 1.360 1.866 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.660 -0.975 3.494 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.096 -0.677 0.898 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.547 -2.198 1.643 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.947 -1.616 1.380 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.498 -0.093 0.638 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.381 -1.290 -1.213 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.727 -2.831 -0.455 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.178 -2.332 -0.613 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.803 -0.826 -1.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.358 -2.555 -2.999 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.741 -2.081 -3.205 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.104 -3.541 -2.418 1.00 10.00 H new ATOM 356 N ILE A 23 -7.817 0.513 3.584 1.00 10.00 N ATOM 357 CA ILE A 23 -6.508 0.536 4.222 1.00 10.00 C ATOM 358 C ILE A 23 -6.644 0.491 5.744 1.00 10.00 C ATOM 359 O ILE A 23 -7.325 1.329 6.345 1.00 10.00 O ATOM 360 CB ILE A 23 -5.696 1.786 3.806 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.560 1.837 2.281 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.324 1.780 4.466 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.831 3.063 1.768 1.00 10.00 C ATOM 0 H ILE A 23 -8.094 1.396 3.156 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.970 -0.350 3.886 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.228 2.676 4.141 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -5.032 0.945 1.944 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.555 1.806 1.836 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.769 2.667 4.160 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.442 1.781 5.550 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.777 0.888 4.161 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.776 3.025 0.680 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.369 3.960 2.073 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.823 3.086 2.182 1.00 10.00 H new ATOM 375 N LEU A 24 -5.998 -0.493 6.359 1.00 10.00 N ATOM 376 CA LEU A 24 -6.046 -0.660 7.806 1.00 10.00 C ATOM 377 C LEU A 24 -4.947 0.151 8.480 1.00 10.00 C ATOM 378 O LEU A 24 -5.221 1.013 9.313 1.00 10.00 O ATOM 379 CB LEU A 24 -5.891 -2.136 8.177 1.00 10.00 C ATOM 380 CG LEU A 24 -6.868 -3.091 7.490 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.432 -4.532 7.695 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.279 -2.882 8.018 1.00 10.00 C ATOM 0 H LEU A 24 -5.432 -1.190 5.875 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.014 -0.300 8.154 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.875 -2.449 7.937 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.009 -2.236 9.256 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.866 -2.877 6.421 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.137 -5.199 7.200 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.438 -4.675 7.271 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.407 -4.756 8.761 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.960 -3.570 7.518 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.297 -3.070 9.092 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.592 -1.856 7.824 1.00 10.00 H new ATOM 394 N SER A 25 -3.703 -0.138 8.120 1.00 10.00 N ATOM 395 CA SER A 25 -2.559 0.558 8.686 1.00 10.00 C ATOM 396 C SER A 25 -1.400 0.591 7.693 1.00 10.00 C ATOM 397 O SER A 25 -1.162 -0.382 6.969 1.00 10.00 O ATOM 398 CB SER A 25 -2.113 -0.124 9.986 1.00 10.00 C ATOM 399 OG SER A 25 -3.104 -0.011 10.994 1.00 10.00 O ATOM 0 H SER A 25 -3.462 -0.854 7.435 1.00 10.00 H new ATOM 0 HA SER A 25 -2.858 1.583 8.905 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.905 -1.177 9.794 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.184 0.326 10.335 1.00 10.00 H new ATOM 0 HG SER A 25 -2.793 -0.456 11.810 1.00 10.00 H new ATOM 405 N VAL A 26 -0.709 1.723 7.641 1.00 10.00 N ATOM 406 CA VAL A 26 0.435 1.888 6.760 1.00 10.00 C ATOM 407 C VAL A 26 1.697 2.070 7.595 1.00 10.00 C ATOM 408 O VAL A 26 1.708 2.857 8.546 1.00 10.00 O ATOM 409 CB VAL A 26 0.269 3.106 5.823 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.413 3.181 4.823 1.00 10.00 C ATOM 411 CG2 VAL A 26 -1.065 3.052 5.098 1.00 10.00 C ATOM 0 H VAL A 26 -0.925 2.545 8.204 1.00 10.00 H new ATOM 0 HA VAL A 26 0.510 0.993 6.142 1.00 10.00 H new ATOM 0 HB VAL A 26 0.291 4.006 6.437 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.274 4.046 4.175 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.358 3.277 5.358 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.428 2.274 4.219 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.159 3.919 4.445 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.119 2.141 4.502 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.876 3.057 5.827 1.00 10.00 H new ATOM 421 N GLY A 27 2.744 1.334 7.256 1.00 10.00 N ATOM 422 CA GLY A 27 3.988 1.430 7.991 1.00 10.00 C ATOM 423 C GLY A 27 5.175 1.685 7.085 1.00 10.00 C ATOM 424 O GLY A 27 5.458 0.902 6.175 1.00 10.00 O ATOM 0 H GLY A 27 2.754 0.670 6.482 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.913 2.234 8.723 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.151 0.507 8.547 1.00 10.00 H new ATOM 428 N ARG A 28 5.867 2.786 7.326 1.00 10.00 N ATOM 429 CA ARG A 28 7.029 3.136 6.529 1.00 10.00 C ATOM 430 C ARG A 28 8.271 2.433 7.063 1.00 10.00 C ATOM 431 O ARG A 28 8.886 2.883 8.034 1.00 10.00 O ATOM 432 CB ARG A 28 7.249 4.653 6.524 1.00 10.00 C ATOM 433 CG ARG A 28 8.405 5.091 5.637 1.00 10.00 C ATOM 434 CD ARG A 28 8.781 6.543 5.876 1.00 10.00 C ATOM 435 NE ARG A 28 9.884 6.968 5.015 1.00 10.00 N ATOM 436 CZ ARG A 28 11.074 7.375 5.453 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.331 7.428 6.758 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.016 7.706 4.581 1.00 10.00 N ATOM 0 H ARG A 28 5.644 3.451 8.066 1.00 10.00 H new ATOM 0 HA ARG A 28 6.848 2.808 5.505 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.336 5.144 6.188 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.435 4.989 7.544 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.270 4.456 5.827 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.132 4.954 4.591 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.913 7.178 5.695 1.00 10.00 H new ATOM 0 HD3 ARG A 28 9.062 6.678 6.920 1.00 10.00 H new ATOM 0 HE ARG A 28 9.731 6.952 4.007 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.614 7.156 7.430 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.245 7.741 7.086 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.828 7.648 3.580 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.929 8.018 4.911 1.00 10.00 H new ATOM 452 N TYR A 29 8.631 1.324 6.440 1.00 10.00 N ATOM 453 CA TYR A 29 9.801 0.570 6.853 1.00 10.00 C ATOM 454 C TYR A 29 11.032 1.103 6.130 1.00 10.00 C ATOM 455 O TYR A 29 11.613 0.434 5.276 1.00 10.00 O ATOM 456 CB TYR A 29 9.610 -0.923 6.569 1.00 10.00 C ATOM 457 CG TYR A 29 9.967 -1.812 7.738 1.00 10.00 C ATOM 458 CD1 TYR A 29 9.002 -2.205 8.656 1.00 10.00 C ATOM 459 CD2 TYR A 29 11.269 -2.258 7.924 1.00 10.00 C ATOM 460 CE1 TYR A 29 9.325 -3.016 9.727 1.00 10.00 C ATOM 461 CE2 TYR A 29 11.598 -3.071 8.992 1.00 10.00 C ATOM 462 CZ TYR A 29 10.624 -3.447 9.890 1.00 10.00 C ATOM 463 OH TYR A 29 10.953 -4.253 10.959 1.00 10.00 O ATOM 0 H TYR A 29 8.129 0.926 5.646 1.00 10.00 H new ATOM 0 HA TYR A 29 9.941 0.690 7.927 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.571 -1.101 6.292 1.00 10.00 H new ATOM 0 HB3 TYR A 29 10.222 -1.202 5.711 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.983 -1.871 8.531 1.00 10.00 H new ATOM 0 HD2 TYR A 29 12.036 -1.965 7.223 1.00 10.00 H new ATOM 0 HE1 TYR A 29 8.563 -3.311 10.433 1.00 10.00 H new ATOM 0 HE2 TYR A 29 12.615 -3.410 9.122 1.00 10.00 H new ATOM 0 HH TYR A 29 11.909 -4.467 10.925 1.00 10.00 H new ATOM 473 N GLY A 30 11.401 2.332 6.463 1.00 10.00 N ATOM 474 CA GLY A 30 12.549 2.953 5.847 1.00 10.00 C ATOM 475 C GLY A 30 12.272 3.375 4.421 1.00 10.00 C ATOM 476 O GLY A 30 11.507 4.306 4.179 1.00 10.00 O ATOM 0 H GLY A 30 10.921 2.910 7.153 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.846 3.824 6.431 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.388 2.258 5.862 1.00 10.00 H new ATOM 480 N LYS A 31 12.882 2.676 3.477 1.00 10.00 N ATOM 481 CA LYS A 31 12.701 2.986 2.064 1.00 10.00 C ATOM 482 C LYS A 31 11.596 2.138 1.449 1.00 10.00 C ATOM 483 O LYS A 31 11.198 2.353 0.301 1.00 10.00 O ATOM 484 CB LYS A 31 14.015 2.788 1.302 1.00 10.00 C ATOM 485 CG LYS A 31 14.998 3.936 1.494 1.00 10.00 C ATOM 486 CD LYS A 31 14.497 5.213 0.834 1.00 10.00 C ATOM 487 CE LYS A 31 14.988 6.452 1.561 1.00 10.00 C ATOM 488 NZ LYS A 31 14.274 7.673 1.101 1.00 10.00 N ATOM 0 H LYS A 31 13.506 1.891 3.661 1.00 10.00 H new ATOM 0 HA LYS A 31 12.403 4.031 1.985 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.482 1.859 1.631 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.798 2.677 0.239 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.152 4.111 2.559 1.00 10.00 H new ATOM 0 HG3 LYS A 31 15.966 3.663 1.073 1.00 10.00 H new ATOM 0 HD2 LYS A 31 14.833 5.243 -0.203 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.407 5.210 0.816 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.843 6.327 2.634 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.059 6.572 1.396 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.426 8.442 1.784 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.640 7.959 0.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.256 7.472 1.026 1.00 10.00 H new ATOM 502 N LEU A 32 11.099 1.176 2.213 1.00 10.00 N ATOM 503 CA LEU A 32 10.035 0.300 1.743 1.00 10.00 C ATOM 504 C LEU A 32 8.783 0.490 2.590 1.00 10.00 C ATOM 505 O LEU A 32 8.759 0.140 3.766 1.00 10.00 O ATOM 506 CB LEU A 32 10.483 -1.165 1.779 1.00 10.00 C ATOM 507 CG LEU A 32 11.087 -1.707 0.480 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.620 -3.109 0.702 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.058 -1.709 -0.639 1.00 10.00 C ATOM 0 H LEU A 32 11.416 0.982 3.163 1.00 10.00 H new ATOM 0 HA LEU A 32 9.805 0.563 0.711 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.217 -1.282 2.576 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.624 -1.782 2.044 1.00 10.00 H new ATOM 0 HG LEU A 32 11.908 -1.054 0.185 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.048 -3.487 -0.227 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.389 -3.088 1.474 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.806 -3.762 1.019 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.512 -2.098 -1.550 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.214 -2.339 -0.356 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.709 -0.691 -0.814 1.00 10.00 H new ATOM 521 N ILE A 33 7.749 1.050 1.990 1.00 10.00 N ATOM 522 CA ILE A 33 6.499 1.288 2.691 1.00 10.00 C ATOM 523 C ILE A 33 5.572 0.088 2.546 1.00 10.00 C ATOM 524 O ILE A 33 5.159 -0.257 1.438 1.00 10.00 O ATOM 525 CB ILE A 33 5.791 2.548 2.157 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.752 3.739 2.157 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.553 2.862 2.989 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.248 4.923 1.364 1.00 10.00 C ATOM 0 H ILE A 33 7.750 1.350 1.015 1.00 10.00 H new ATOM 0 HA ILE A 33 6.736 1.440 3.744 1.00 10.00 H new ATOM 0 HB ILE A 33 5.475 2.357 1.132 1.00 10.00 H new ATOM 0 HG12 ILE A 33 6.931 4.051 3.186 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.711 3.421 1.749 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.067 3.755 2.596 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.860 2.022 2.942 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.845 3.034 4.025 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.980 5.729 1.409 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.096 4.628 0.326 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.303 5.267 1.785 1.00 10.00 H new ATOM 540 N HIS A 34 5.260 -0.549 3.665 1.00 10.00 N ATOM 541 CA HIS A 34 4.385 -1.710 3.669 1.00 10.00 C ATOM 542 C HIS A 34 3.059 -1.350 4.332 1.00 10.00 C ATOM 543 O HIS A 34 3.038 -0.678 5.362 1.00 10.00 O ATOM 544 CB HIS A 34 5.055 -2.876 4.407 1.00 10.00 C ATOM 545 CG HIS A 34 4.263 -4.154 4.403 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.023 -4.916 3.278 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.649 -4.802 5.427 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.299 -5.978 3.648 1.00 10.00 C ATOM 549 NE2 HIS A 34 3.043 -5.957 4.943 1.00 10.00 N ATOM 0 H HIS A 34 5.603 -0.279 4.587 1.00 10.00 H new ATOM 0 HA HIS A 34 4.194 -2.019 2.641 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.028 -3.065 3.954 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.237 -2.579 5.440 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.634 -4.472 6.455 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.966 -6.753 2.974 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.512 -6.644 5.477 1.00 10.00 H new ATOM 557 N PHE A 35 1.960 -1.784 3.742 1.00 10.00 N ATOM 558 CA PHE A 35 0.651 -1.484 4.292 1.00 10.00 C ATOM 559 C PHE A 35 -0.250 -2.709 4.271 1.00 10.00 C ATOM 560 O PHE A 35 -0.060 -3.627 3.469 1.00 10.00 O ATOM 561 CB PHE A 35 -0.004 -0.332 3.519 1.00 10.00 C ATOM 562 CG PHE A 35 -0.553 -0.728 2.180 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.921 -0.856 1.989 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.294 -0.987 1.116 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.428 -1.236 0.764 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.210 -1.365 -0.112 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.573 -1.493 -0.289 1.00 10.00 C ATOM 0 H PHE A 35 1.947 -2.342 2.888 1.00 10.00 H new ATOM 0 HA PHE A 35 0.787 -1.181 5.330 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.811 0.084 4.122 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.730 0.461 3.379 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.596 -0.656 2.808 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.362 -0.892 1.248 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.495 -1.333 0.628 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.462 -1.561 -0.934 1.00 10.00 H new ATOM 0 HZ PHE A 35 -1.969 -1.793 -1.248 1.00 10.00 H new ATOM 577 N LEU A 36 -1.217 -2.710 5.167 1.00 10.00 N ATOM 578 CA LEU A 36 -2.174 -3.795 5.270 1.00 10.00 C ATOM 579 C LEU A 36 -3.564 -3.265 4.958 1.00 10.00 C ATOM 580 O LEU A 36 -3.978 -2.243 5.510 1.00 10.00 O ATOM 581 CB LEU A 36 -2.148 -4.404 6.676 1.00 10.00 C ATOM 582 CG LEU A 36 -0.788 -4.932 7.142 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.816 -5.237 8.633 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.397 -6.172 6.350 1.00 10.00 C ATOM 0 H LEU A 36 -1.362 -1.960 5.843 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.909 -4.574 4.555 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.488 -3.650 7.386 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.867 -5.222 6.712 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.040 -4.160 6.963 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.159 -5.611 8.946 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.050 -4.327 9.186 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.576 -5.991 8.836 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.572 -6.533 6.695 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.147 -6.949 6.497 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.335 -5.923 5.291 1.00 10.00 H new ATOM 596 N TYR A 37 -4.277 -3.934 4.068 1.00 10.00 N ATOM 597 CA TYR A 37 -5.615 -3.501 3.703 1.00 10.00 C ATOM 598 C TYR A 37 -6.591 -4.663 3.758 1.00 10.00 C ATOM 599 O TYR A 37 -6.209 -5.815 3.553 1.00 10.00 O ATOM 600 CB TYR A 37 -5.627 -2.857 2.309 1.00 10.00 C ATOM 601 CG TYR A 37 -5.342 -3.810 1.165 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.375 -4.317 0.385 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.043 -4.187 0.853 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.119 -5.174 -0.671 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.779 -5.044 -0.199 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.821 -5.532 -0.957 1.00 10.00 C ATOM 607 OH TYR A 37 -4.560 -6.380 -2.011 1.00 10.00 O ATOM 0 H TYR A 37 -3.954 -4.774 3.587 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.930 -2.750 4.427 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.601 -2.397 2.145 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.888 -2.056 2.288 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.394 -4.037 0.607 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.224 -3.804 1.443 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.933 -5.560 -1.267 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.762 -5.329 -0.425 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.944 -7.085 -1.719 1.00 10.00 H new ATOM 617 N ASP A 38 -7.849 -4.349 4.031 1.00 10.00 N ATOM 618 CA ASP A 38 -8.896 -5.355 4.127 1.00 10.00 C ATOM 619 C ASP A 38 -9.432 -5.711 2.750 1.00 10.00 C ATOM 620 O ASP A 38 -9.705 -4.833 1.929 1.00 10.00 O ATOM 621 CB ASP A 38 -10.037 -4.859 5.014 1.00 10.00 C ATOM 622 CG ASP A 38 -11.093 -5.920 5.241 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.729 -7.110 5.348 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.288 -5.571 5.327 1.00 10.00 O ATOM 0 H ASP A 38 -8.171 -3.395 4.191 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.462 -6.249 4.575 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.634 -4.539 5.975 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.497 -3.984 4.554 1.00 10.00 H new ATOM 629 N LEU A 39 -9.584 -7.000 2.505 1.00 10.00 N ATOM 630 CA LEU A 39 -10.080 -7.482 1.229 1.00 10.00 C ATOM 631 C LEU A 39 -11.594 -7.621 1.262 1.00 10.00 C ATOM 632 O LEU A 39 -12.299 -7.116 0.384 1.00 10.00 O ATOM 633 CB LEU A 39 -9.450 -8.830 0.892 1.00 10.00 C ATOM 634 CG LEU A 39 -10.041 -9.527 -0.328 1.00 10.00 C ATOM 635 CD1 LEU A 39 -9.269 -9.150 -1.583 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.050 -11.032 -0.119 1.00 10.00 C ATOM 0 H LEU A 39 -9.369 -7.736 3.178 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.808 -6.757 0.462 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.382 -8.685 0.728 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.553 -9.489 1.754 1.00 10.00 H new ATOM 0 HG LEU A 39 -11.071 -9.196 -0.459 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -9.705 -9.657 -2.444 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -9.321 -8.071 -1.732 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -8.227 -9.451 -1.474 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.474 -11.519 -0.997 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.030 -11.384 0.034 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.652 -11.274 0.757 1.00 10.00 H new ATOM 648 N GLY A 40 -12.088 -8.314 2.276 1.00 10.00 N ATOM 649 CA GLY A 40 -13.511 -8.517 2.408 1.00 10.00 C ATOM 650 C GLY A 40 -13.860 -9.984 2.529 1.00 10.00 C ATOM 651 O GLY A 40 -13.502 -10.786 1.660 1.00 10.00 O ATOM 0 H GLY A 40 -11.524 -8.740 3.012 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.874 -7.983 3.286 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -14.021 -8.092 1.543 1.00 10.00 H new ATOM 655 N GLY A 41 -14.534 -10.339 3.614 1.00 10.00 N ATOM 656 CA GLY A 41 -14.930 -11.717 3.836 1.00 10.00 C ATOM 657 C GLY A 41 -14.230 -12.337 5.025 1.00 10.00 C ATOM 658 O GLY A 41 -14.666 -13.360 5.549 1.00 10.00 O ATOM 0 H GLY A 41 -14.816 -9.692 4.350 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -16.008 -11.761 3.990 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -14.711 -12.303 2.943 1.00 10.00 H new ATOM 662 N GLY A 42 -13.144 -11.716 5.452 1.00 10.00 N ATOM 663 CA GLY A 42 -12.397 -12.226 6.580 1.00 10.00 C ATOM 664 C GLY A 42 -10.904 -12.183 6.342 1.00 10.00 C ATOM 665 O GLY A 42 -10.137 -11.770 7.219 1.00 10.00 O ATOM 0 H GLY A 42 -12.765 -10.865 5.036 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.639 -11.642 7.468 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.702 -13.253 6.781 1.00 10.00 H new ATOM 669 N LYS A 43 -10.488 -12.600 5.154 1.00 10.00 N ATOM 670 CA LYS A 43 -9.076 -12.607 4.808 1.00 10.00 C ATOM 671 C LYS A 43 -8.709 -11.308 4.098 1.00 10.00 C ATOM 672 O LYS A 43 -9.588 -10.571 3.642 1.00 10.00 O ATOM 673 CB LYS A 43 -8.743 -13.832 3.943 1.00 10.00 C ATOM 674 CG LYS A 43 -8.757 -13.580 2.439 1.00 10.00 C ATOM 675 CD LYS A 43 -8.825 -14.885 1.666 1.00 10.00 C ATOM 676 CE LYS A 43 -7.466 -15.587 1.574 1.00 10.00 C ATOM 677 NZ LYS A 43 -6.334 -14.767 2.098 1.00 10.00 N ATOM 0 H LYS A 43 -11.107 -12.937 4.417 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.483 -12.675 5.720 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.757 -14.201 4.226 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -9.457 -14.624 4.171 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.612 -12.955 2.180 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -7.861 -13.030 2.151 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.542 -15.551 2.147 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -9.197 -14.688 0.660 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -7.512 -16.524 2.129 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.268 -15.842 0.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -5.432 -15.224 1.854 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.367 -13.818 1.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.413 -14.687 3.132 1.00 10.00 H new ATOM 691 N ALA A 44 -7.419 -11.025 4.006 1.00 10.00 N ATOM 692 CA ALA A 44 -6.962 -9.803 3.370 1.00 10.00 C ATOM 693 C ALA A 44 -5.686 -10.031 2.566 1.00 10.00 C ATOM 694 O ALA A 44 -5.378 -11.160 2.171 1.00 10.00 O ATOM 695 CB ALA A 44 -6.737 -8.736 4.429 1.00 10.00 C ATOM 0 H ALA A 44 -6.674 -11.623 4.363 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.731 -9.471 2.672 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.394 -7.818 3.953 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.671 -8.544 4.956 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.984 -9.080 5.138 1.00 10.00 H new ATOM 701 N GLY A 45 -4.960 -8.945 2.324 1.00 10.00 N ATOM 702 CA GLY A 45 -3.720 -9.011 1.583 1.00 10.00 C ATOM 703 C GLY A 45 -2.690 -8.060 2.158 1.00 10.00 C ATOM 704 O GLY A 45 -2.838 -7.600 3.290 1.00 10.00 O ATOM 0 H GLY A 45 -5.216 -8.008 2.635 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.332 -10.029 1.607 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -3.904 -8.764 0.537 1.00 10.00 H new ATOM 708 N MET A 46 -1.660 -7.751 1.386 1.00 10.00 N ATOM 709 CA MET A 46 -0.605 -6.852 1.843 1.00 10.00 C ATOM 710 C MET A 46 0.278 -6.433 0.677 1.00 10.00 C ATOM 711 O MET A 46 0.448 -7.188 -0.280 1.00 10.00 O ATOM 712 CB MET A 46 0.244 -7.521 2.935 1.00 10.00 C ATOM 713 CG MET A 46 1.122 -8.663 2.433 1.00 10.00 C ATOM 714 SD MET A 46 1.929 -9.559 3.775 1.00 10.00 S ATOM 715 CE MET A 46 3.261 -10.356 2.883 1.00 10.00 C ATOM 0 H MET A 46 -1.530 -8.108 0.439 1.00 10.00 H new ATOM 0 HA MET A 46 -1.075 -5.964 2.265 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.879 -6.766 3.399 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.419 -7.902 3.712 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.513 -9.356 1.853 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.881 -8.264 1.760 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.511 -11.299 3.369 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.948 -10.548 1.857 1.00 10.00 H new ATOM 0 HE3 MET A 46 4.136 -9.707 2.880 1.00 10.00 H new ATOM 725 N GLY A 47 0.823 -5.229 0.752 1.00 10.00 N ATOM 726 CA GLY A 47 1.672 -4.742 -0.314 1.00 10.00 C ATOM 727 C GLY A 47 2.745 -3.797 0.184 1.00 10.00 C ATOM 728 O GLY A 47 2.534 -3.055 1.147 1.00 10.00 O ATOM 0 H GLY A 47 0.693 -4.582 1.530 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.142 -5.588 -0.815 1.00 10.00 H new ATOM 0 HA3 GLY A 47 1.060 -4.232 -1.057 1.00 10.00 H new ATOM 732 N MET A 48 3.903 -3.844 -0.453 1.00 10.00 N ATOM 733 CA MET A 48 5.020 -2.989 -0.094 1.00 10.00 C ATOM 734 C MET A 48 5.526 -2.250 -1.328 1.00 10.00 C ATOM 735 O MET A 48 5.653 -2.836 -2.401 1.00 10.00 O ATOM 736 CB MET A 48 6.143 -3.826 0.525 1.00 10.00 C ATOM 737 CG MET A 48 7.142 -3.016 1.336 1.00 10.00 C ATOM 738 SD MET A 48 8.062 -4.023 2.518 1.00 10.00 S ATOM 739 CE MET A 48 8.726 -5.294 1.449 1.00 10.00 C ATOM 0 H MET A 48 4.094 -4.475 -1.232 1.00 10.00 H new ATOM 0 HA MET A 48 4.687 -2.256 0.641 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.702 -4.589 1.167 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.674 -4.348 -0.271 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.843 -2.528 0.658 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.614 -2.227 1.871 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.709 -5.596 1.810 1.00 10.00 H new ATOM 0 HE2 MET A 48 8.058 -6.156 1.450 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.816 -4.906 0.434 1.00 10.00 H new ATOM 749 N VAL A 49 5.787 -0.963 -1.177 1.00 10.00 N ATOM 750 CA VAL A 49 6.271 -0.141 -2.280 1.00 10.00 C ATOM 751 C VAL A 49 7.405 0.769 -1.799 1.00 10.00 C ATOM 752 O VAL A 49 7.395 1.224 -0.658 1.00 10.00 O ATOM 753 CB VAL A 49 5.121 0.709 -2.883 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.574 1.700 -1.864 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.575 1.426 -4.147 1.00 10.00 C ATOM 0 H VAL A 49 5.672 -0.460 -0.297 1.00 10.00 H new ATOM 0 HA VAL A 49 6.651 -0.802 -3.059 1.00 10.00 H new ATOM 0 HB VAL A 49 4.314 0.028 -3.153 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.770 2.281 -2.316 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.189 1.158 -1.000 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.371 2.371 -1.545 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.750 2.014 -4.548 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.410 2.086 -3.911 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.891 0.692 -4.888 1.00 10.00 H new ATOM 765 N SER A 50 8.392 1.012 -2.648 1.00 10.00 N ATOM 766 CA SER A 50 9.508 1.863 -2.273 1.00 10.00 C ATOM 767 C SER A 50 9.115 3.332 -2.379 1.00 10.00 C ATOM 768 O SER A 50 8.160 3.681 -3.078 1.00 10.00 O ATOM 769 CB SER A 50 10.725 1.576 -3.155 1.00 10.00 C ATOM 770 OG SER A 50 10.634 2.263 -4.393 1.00 10.00 O ATOM 0 H SER A 50 8.442 0.635 -3.594 1.00 10.00 H new ATOM 0 HA SER A 50 9.772 1.645 -1.238 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.634 1.878 -2.635 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.802 0.504 -3.336 1.00 10.00 H new ATOM 0 HG SER A 50 10.400 1.629 -5.103 1.00 10.00 H new ATOM 776 N GLU A 51 9.853 4.187 -1.682 1.00 10.00 N ATOM 777 CA GLU A 51 9.590 5.622 -1.701 1.00 10.00 C ATOM 778 C GLU A 51 9.863 6.218 -3.079 1.00 10.00 C ATOM 779 O GLU A 51 9.394 7.310 -3.396 1.00 10.00 O ATOM 780 CB GLU A 51 10.444 6.336 -0.655 1.00 10.00 C ATOM 781 CG GLU A 51 10.083 5.982 0.772 1.00 10.00 C ATOM 782 CD GLU A 51 10.556 7.029 1.755 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.781 7.213 1.896 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.703 7.674 2.396 1.00 10.00 O ATOM 0 H GLU A 51 10.640 3.912 -1.095 1.00 10.00 H new ATOM 0 HA GLU A 51 8.536 5.766 -1.465 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.492 6.091 -0.826 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.342 7.413 -0.789 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.002 5.870 0.855 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.524 5.019 1.029 1.00 10.00 H new ATOM 791 N LYS A 52 10.626 5.496 -3.890 1.00 10.00 N ATOM 792 CA LYS A 52 10.964 5.953 -5.232 1.00 10.00 C ATOM 793 C LYS A 52 9.867 5.573 -6.216 1.00 10.00 C ATOM 794 O LYS A 52 9.597 6.299 -7.174 1.00 10.00 O ATOM 795 CB LYS A 52 12.291 5.351 -5.692 1.00 10.00 C ATOM 796 CG LYS A 52 13.464 5.692 -4.795 1.00 10.00 C ATOM 797 CD LYS A 52 14.748 5.061 -5.302 1.00 10.00 C ATOM 798 CE LYS A 52 15.927 5.401 -4.405 1.00 10.00 C ATOM 799 NZ LYS A 52 17.190 4.795 -4.901 1.00 10.00 N ATOM 0 H LYS A 52 11.023 4.590 -3.641 1.00 10.00 H new ATOM 0 HA LYS A 52 11.060 7.038 -5.202 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.189 4.267 -5.743 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.506 5.699 -6.702 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.583 6.774 -4.745 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.262 5.346 -3.781 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.628 3.979 -5.352 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.949 5.407 -6.316 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.041 6.484 -4.349 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.727 5.048 -3.393 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.971 5.049 -4.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.090 3.760 -4.931 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.394 5.151 -5.857 1.00 10.00 H new ATOM 813 N ASP A 53 9.247 4.423 -5.977 1.00 10.00 N ATOM 814 CA ASP A 53 8.178 3.930 -6.839 1.00 10.00 C ATOM 815 C ASP A 53 6.879 4.670 -6.550 1.00 10.00 C ATOM 816 O ASP A 53 6.070 4.904 -7.449 1.00 10.00 O ATOM 817 CB ASP A 53 7.975 2.422 -6.643 1.00 10.00 C ATOM 818 CG ASP A 53 9.112 1.597 -7.212 1.00 10.00 C ATOM 819 OD1 ASP A 53 9.331 1.636 -8.439 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.789 0.895 -6.432 1.00 10.00 O ATOM 0 H ASP A 53 9.467 3.812 -5.190 1.00 10.00 H new ATOM 0 HA ASP A 53 8.466 4.111 -7.874 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.875 2.209 -5.579 1.00 10.00 H new ATOM 0 HB3 ASP A 53 7.041 2.121 -7.118 1.00 10.00 H new ATOM 825 N ALA A 54 6.689 5.036 -5.291 1.00 10.00 N ATOM 826 CA ALA A 54 5.491 5.751 -4.878 1.00 10.00 C ATOM 827 C ALA A 54 5.626 7.249 -5.152 1.00 10.00 C ATOM 828 O ALA A 54 6.598 7.876 -4.728 1.00 10.00 O ATOM 829 CB ALA A 54 5.213 5.509 -3.399 1.00 10.00 C ATOM 0 H ALA A 54 7.350 4.849 -4.537 1.00 10.00 H new ATOM 0 HA ALA A 54 4.652 5.372 -5.462 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.314 6.050 -3.104 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.068 4.443 -3.226 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.058 5.861 -2.808 1.00 10.00 H new ATOM 835 N PRO A 55 4.663 7.837 -5.890 1.00 10.00 N ATOM 836 CA PRO A 55 4.671 9.271 -6.203 1.00 10.00 C ATOM 837 C PRO A 55 4.461 10.124 -4.953 1.00 10.00 C ATOM 838 O PRO A 55 3.796 9.693 -4.012 1.00 10.00 O ATOM 839 CB PRO A 55 3.488 9.446 -7.167 1.00 10.00 C ATOM 840 CG PRO A 55 3.118 8.074 -7.613 1.00 10.00 C ATOM 841 CD PRO A 55 3.508 7.153 -6.493 1.00 10.00 C ATOM 0 HA PRO A 55 5.624 9.589 -6.625 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.649 9.935 -6.671 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.765 10.071 -8.016 1.00 10.00 H new ATOM 0 HG2 PRO A 55 2.050 8.006 -7.819 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.638 7.810 -8.534 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.697 7.022 -5.777 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.772 6.161 -6.859 1.00 10.00 H new ATOM 849 N LYS A 56 5.009 11.336 -4.958 1.00 10.00 N ATOM 850 CA LYS A 56 4.900 12.253 -3.821 1.00 10.00 C ATOM 851 C LYS A 56 3.446 12.517 -3.447 1.00 10.00 C ATOM 852 O LYS A 56 3.102 12.595 -2.266 1.00 10.00 O ATOM 853 CB LYS A 56 5.599 13.575 -4.147 1.00 10.00 C ATOM 854 CG LYS A 56 7.099 13.438 -4.353 1.00 10.00 C ATOM 855 CD LYS A 56 7.715 14.735 -4.851 1.00 10.00 C ATOM 856 CE LYS A 56 9.208 14.589 -5.095 1.00 10.00 C ATOM 857 NZ LYS A 56 9.800 15.823 -5.672 1.00 10.00 N ATOM 0 H LYS A 56 5.539 11.711 -5.745 1.00 10.00 H new ATOM 0 HA LYS A 56 5.385 11.781 -2.967 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.155 13.998 -5.048 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.415 14.282 -3.338 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.571 13.147 -3.414 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.297 12.641 -5.070 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.223 15.041 -5.774 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.541 15.525 -4.120 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.708 14.352 -4.156 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.385 13.752 -5.770 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.819 15.681 -5.823 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.342 16.036 -6.581 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.654 16.617 -5.017 1.00 10.00 H new ATOM 871 N GLU A 57 2.601 12.644 -4.459 1.00 10.00 N ATOM 872 CA GLU A 57 1.181 12.897 -4.257 1.00 10.00 C ATOM 873 C GLU A 57 0.538 11.778 -3.438 1.00 10.00 C ATOM 874 O GLU A 57 -0.241 12.040 -2.518 1.00 10.00 O ATOM 875 CB GLU A 57 0.485 13.026 -5.612 1.00 10.00 C ATOM 876 CG GLU A 57 -0.802 13.831 -5.577 1.00 10.00 C ATOM 877 CD GLU A 57 -1.220 14.304 -6.950 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.304 13.466 -7.874 1.00 10.00 O ATOM 879 OE2 GLU A 57 -1.461 15.516 -7.116 1.00 10.00 O ATOM 0 H GLU A 57 2.877 12.575 -5.438 1.00 10.00 H new ATOM 0 HA GLU A 57 1.069 13.828 -3.702 1.00 10.00 H new ATOM 0 HB2 GLU A 57 1.173 13.492 -6.318 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.266 12.028 -5.992 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.597 13.222 -5.147 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -0.671 14.693 -4.922 1.00 10.00 H new ATOM 886 N LEU A 58 0.877 10.537 -3.761 1.00 10.00 N ATOM 887 CA LEU A 58 0.331 9.389 -3.049 1.00 10.00 C ATOM 888 C LEU A 58 1.081 9.168 -1.744 1.00 10.00 C ATOM 889 O LEU A 58 0.520 8.669 -0.774 1.00 10.00 O ATOM 890 CB LEU A 58 0.398 8.130 -3.916 1.00 10.00 C ATOM 891 CG LEU A 58 -0.419 8.188 -5.214 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.317 6.870 -5.967 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.877 8.519 -4.922 1.00 10.00 C ATOM 0 H LEU A 58 1.527 10.300 -4.511 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.715 9.596 -2.822 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.440 7.938 -4.170 1.00 10.00 H new ATOM 0 HB3 LEU A 58 0.052 7.282 -3.325 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.007 8.980 -5.839 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.902 6.929 -6.885 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.726 6.672 -6.214 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.702 6.064 -5.343 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.436 8.555 -5.857 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.302 7.752 -4.274 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.938 9.488 -4.426 1.00 10.00 H new ATOM 905 N LEU A 59 2.350 9.555 -1.731 1.00 10.00 N ATOM 906 CA LEU A 59 3.189 9.422 -0.546 1.00 10.00 C ATOM 907 C LEU A 59 2.572 10.190 0.615 1.00 10.00 C ATOM 908 O LEU A 59 2.515 9.701 1.744 1.00 10.00 O ATOM 909 CB LEU A 59 4.590 9.962 -0.836 1.00 10.00 C ATOM 910 CG LEU A 59 5.680 9.539 0.150 1.00 10.00 C ATOM 911 CD1 LEU A 59 6.192 8.149 -0.193 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.824 10.548 0.153 1.00 10.00 C ATOM 0 H LEU A 59 2.824 9.967 -2.535 1.00 10.00 H new ATOM 0 HA LEU A 59 3.261 8.368 -0.279 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.884 9.640 -1.835 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.544 11.051 -0.853 1.00 10.00 H new ATOM 0 HG LEU A 59 5.249 9.512 1.151 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.967 7.861 0.517 1.00 10.00 H new ATOM 0 HD12 LEU A 59 5.370 7.435 -0.141 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.607 8.152 -1.201 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.589 10.229 0.861 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.257 10.610 -0.845 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.445 11.527 0.446 1.00 10.00 H new ATOM 924 N GLN A 60 2.100 11.395 0.316 1.00 10.00 N ATOM 925 CA GLN A 60 1.472 12.243 1.315 1.00 10.00 C ATOM 926 C GLN A 60 0.165 11.612 1.798 1.00 10.00 C ATOM 927 O GLN A 60 -0.219 11.763 2.957 1.00 10.00 O ATOM 928 CB GLN A 60 1.221 13.641 0.738 1.00 10.00 C ATOM 929 CG GLN A 60 0.680 14.640 1.752 1.00 10.00 C ATOM 930 CD GLN A 60 1.555 14.777 2.987 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.865 14.664 2.815 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 1.056 14.995 4.088 1.00 10.00 N flip ATOM 0 H GLN A 60 2.142 11.806 -0.617 1.00 10.00 H new ATOM 0 HA GLN A 60 2.142 12.339 2.170 1.00 10.00 H new ATOM 0 HB2 GLN A 60 2.154 14.026 0.326 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.516 13.560 -0.089 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.582 15.615 1.275 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.320 14.332 2.056 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.044 15.076 4.182 1.00 10.00 H new ATOM 0 HE22 GLN A 60 1.654 15.095 4.908 1.00 10.00 H new ATOM 941 N MET A 61 -0.503 10.885 0.909 1.00 10.00 N ATOM 942 CA MET A 61 -1.750 10.217 1.256 1.00 10.00 C ATOM 943 C MET A 61 -1.462 9.056 2.201 1.00 10.00 C ATOM 944 O MET A 61 -2.239 8.775 3.115 1.00 10.00 O ATOM 945 CB MET A 61 -2.466 9.713 -0.002 1.00 10.00 C ATOM 946 CG MET A 61 -3.111 10.821 -0.819 1.00 10.00 C ATOM 947 SD MET A 61 -3.966 10.206 -2.283 1.00 10.00 S ATOM 948 CE MET A 61 -5.371 9.385 -1.538 1.00 10.00 C ATOM 0 H MET A 61 -0.202 10.744 -0.055 1.00 10.00 H new ATOM 0 HA MET A 61 -2.405 10.933 1.753 1.00 10.00 H new ATOM 0 HB2 MET A 61 -1.751 9.180 -0.628 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.232 8.994 0.289 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.819 11.363 -0.192 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.345 11.534 -1.124 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.015 8.983 -2.321 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.022 8.571 -0.902 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.933 10.100 -0.937 1.00 10.00 H new ATOM 958 N LEU A 62 -0.332 8.390 1.980 1.00 10.00 N ATOM 959 CA LEU A 62 0.082 7.273 2.820 1.00 10.00 C ATOM 960 C LEU A 62 0.433 7.779 4.211 1.00 10.00 C ATOM 961 O LEU A 62 0.195 7.106 5.209 1.00 10.00 O ATOM 962 CB LEU A 62 1.282 6.549 2.204 1.00 10.00 C ATOM 963 CG LEU A 62 1.048 5.993 0.797 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.288 5.267 0.296 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.162 5.070 0.788 1.00 10.00 C ATOM 0 H LEU A 62 0.315 8.607 1.222 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.744 6.565 2.893 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.126 7.239 2.171 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.568 5.727 2.860 1.00 10.00 H new ATOM 0 HG LEU A 62 0.848 6.825 0.122 1.00 10.00 H new ATOM 0 HD11 LEU A 62 2.103 4.879 -0.705 1.00 10.00 H new ATOM 0 HD12 LEU A 62 3.129 5.960 0.267 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.522 4.441 0.968 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.316 4.682 -0.219 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.008 4.240 1.474 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.046 5.625 1.102 1.00 10.00 H new ATOM 977 N GLU A 63 0.985 8.986 4.256 1.00 10.00 N ATOM 978 CA GLU A 63 1.362 9.622 5.511 1.00 10.00 C ATOM 979 C GLU A 63 0.127 9.883 6.365 1.00 10.00 C ATOM 980 O GLU A 63 0.178 9.812 7.593 1.00 10.00 O ATOM 981 CB GLU A 63 2.088 10.939 5.238 1.00 10.00 C ATOM 982 CG GLU A 63 3.530 10.765 4.793 1.00 10.00 C ATOM 983 CD GLU A 63 4.456 10.460 5.949 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.663 11.347 6.799 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.988 9.335 6.020 1.00 10.00 O ATOM 0 H GLU A 63 1.183 9.548 3.428 1.00 10.00 H new ATOM 0 HA GLU A 63 2.030 8.951 6.051 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.545 11.490 4.470 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.068 11.548 6.142 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.587 9.958 4.062 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.865 11.673 4.292 1.00 10.00 H new ATOM 992 N LYS A 64 -0.988 10.163 5.699 1.00 10.00 N ATOM 993 CA LYS A 64 -2.247 10.436 6.383 1.00 10.00 C ATOM 994 C LYS A 64 -2.849 9.157 6.961 1.00 10.00 C ATOM 995 O LYS A 64 -3.776 9.210 7.770 1.00 10.00 O ATOM 996 CB LYS A 64 -3.238 11.101 5.424 1.00 10.00 C ATOM 997 CG LYS A 64 -2.788 12.475 4.947 1.00 10.00 C ATOM 998 CD LYS A 64 -3.834 13.130 4.064 1.00 10.00 C ATOM 999 CE LYS A 64 -3.396 14.520 3.626 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.463 15.235 2.881 1.00 10.00 N ATOM 0 H LYS A 64 -1.045 10.207 4.682 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.041 11.116 7.209 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.385 10.454 4.559 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.204 11.195 5.919 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.587 13.112 5.808 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.853 12.381 4.395 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.012 12.509 3.186 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.778 13.197 4.604 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.114 15.103 4.503 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.509 14.439 2.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.121 16.177 2.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.715 14.693 2.030 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.301 15.337 3.488 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.314 8.012 6.554 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.796 6.723 7.036 1.00 10.00 C ATOM 1016 C GLN A 65 -1.667 5.961 7.726 1.00 10.00 C ATOM 1017 O GLN A 65 -1.784 4.767 8.013 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.360 5.894 5.879 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.655 6.443 5.303 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.773 6.509 6.327 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.955 7.517 7.003 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.528 5.429 6.449 1.00 10.00 N ATOM 0 H GLN A 65 -1.543 7.950 5.889 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.594 6.901 7.757 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.614 5.841 5.086 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.531 4.874 6.225 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.475 7.441 4.903 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.970 5.817 4.468 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.345 4.610 5.869 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.293 5.415 7.123 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.573 6.668 7.986 1.00 10.00 N ATOM 1032 CA LYS A 66 0.591 6.081 8.633 1.00 10.00 C ATOM 1033 C LYS A 66 0.289 5.764 10.091 1.00 10.00 C ATOM 1034 O LYS A 66 -0.185 6.623 10.841 1.00 10.00 O ATOM 1035 CB LYS A 66 1.790 7.025 8.533 1.00 10.00 C ATOM 1036 CG LYS A 66 3.062 6.473 9.161 1.00 10.00 C ATOM 1037 CD LYS A 66 4.293 7.239 8.705 1.00 10.00 C ATOM 1038 CE LYS A 66 4.332 8.643 9.282 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.442 9.440 8.705 1.00 10.00 N ATOM 0 H LYS A 66 -0.469 7.656 7.756 1.00 10.00 H new ATOM 0 HA LYS A 66 0.836 5.151 8.120 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.981 7.245 7.483 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.538 7.969 9.016 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.983 6.524 10.247 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.170 5.421 8.898 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.190 6.698 9.006 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.304 7.293 7.616 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.384 9.144 9.086 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.447 8.589 10.365 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.212 10.452 8.768 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.317 9.250 9.234 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.577 9.177 7.708 1.00 10.00 H new ATOM 1053 N LYS A 67 0.551 4.529 10.483 1.00 10.00 N ATOM 1054 CA LYS A 67 0.307 4.086 11.849 1.00 10.00 C ATOM 1055 C LYS A 67 1.504 3.305 12.380 1.00 10.00 C ATOM 1056 O LYS A 67 2.636 3.506 11.924 1.00 10.00 O ATOM 1057 CB LYS A 67 -0.959 3.225 11.912 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.221 3.964 11.481 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.462 3.092 11.602 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.706 3.830 11.124 1.00 10.00 C ATOM 1061 NZ LYS A 67 -5.927 2.989 11.209 1.00 10.00 N ATOM 0 H LYS A 67 0.935 3.809 9.871 1.00 10.00 H new ATOM 0 HA LYS A 67 0.163 4.966 12.476 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -0.825 2.350 11.276 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.091 2.861 12.931 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.345 4.857 12.093 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.111 4.297 10.449 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.329 2.183 11.016 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.594 2.786 12.640 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -4.845 4.730 11.723 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.561 4.153 10.093 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.759 3.558 10.954 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.842 2.187 10.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.036 2.632 12.180 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.783 -13.095 -1.421 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.626 -12.450 -2.034 1.00 10.00 C ATOM 1107 C GLU B 6 0.587 -12.520 -1.109 1.00 10.00 C ATOM 1108 O GLU B 6 0.465 -12.356 0.108 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.952 -10.998 -2.403 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.875 -10.291 -1.417 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.690 -9.193 -2.064 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.623 -8.042 -1.588 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.403 -9.472 -3.054 1.00 10.00 O ATOM 0 HA GLU B 6 -0.380 -12.986 -2.950 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -0.021 -10.437 -2.477 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.414 -10.981 -3.390 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -2.548 -11.021 -0.968 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -1.280 -9.867 -0.608 1.00 10.00 H new ATOM 1120 N GLU B 7 1.751 -12.769 -1.696 1.00 10.00 N ATOM 1121 CA GLU B 7 2.990 -12.893 -0.937 1.00 10.00 C ATOM 1122 C GLU B 7 3.998 -11.825 -1.347 1.00 10.00 C ATOM 1123 O GLU B 7 3.963 -11.321 -2.474 1.00 10.00 O ATOM 1124 CB GLU B 7 3.596 -14.280 -1.165 1.00 10.00 C ATOM 1125 CG GLU B 7 2.651 -15.421 -0.838 1.00 10.00 C ATOM 1126 CD GLU B 7 2.721 -15.814 0.616 1.00 10.00 C ATOM 1127 OE1 GLU B 7 1.826 -15.422 1.391 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.680 -16.511 0.996 1.00 10.00 O ATOM 0 H GLU B 7 1.863 -12.890 -2.703 1.00 10.00 H new ATOM 0 HA GLU B 7 2.757 -12.757 0.119 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.906 -14.364 -2.207 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.495 -14.379 -0.556 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.631 -15.129 -1.086 1.00 10.00 H new ATOM 0 HG3 GLU B 7 2.895 -16.283 -1.459 1.00 10.00 H new ATOM 1135 N GLU B 8 4.899 -11.495 -0.432 1.00 10.00 N ATOM 1136 CA GLU B 8 5.935 -10.500 -0.693 1.00 10.00 C ATOM 1137 C GLU B 8 7.290 -10.998 -0.221 1.00 10.00 C ATOM 1138 O GLU B 8 7.406 -12.105 0.313 1.00 10.00 O ATOM 1139 CB GLU B 8 5.632 -9.172 0.001 1.00 10.00 C ATOM 1140 CG GLU B 8 4.354 -8.497 -0.455 1.00 10.00 C ATOM 1141 CD GLU B 8 4.460 -6.994 -0.374 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.514 -6.336 -1.436 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.512 -6.467 0.759 1.00 10.00 O ATOM 0 H GLU B 8 4.935 -11.903 0.502 1.00 10.00 H new ATOM 0 HA GLU B 8 5.953 -10.339 -1.771 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.572 -9.344 1.076 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.466 -8.491 -0.167 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.132 -8.792 -1.481 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.522 -8.837 0.162 1.00 10.00 H new ATOM 1150 N GLY B 9 8.304 -10.167 -0.417 1.00 10.00 N ATOM 1151 CA GLY B 9 9.649 -10.507 -0.011 1.00 10.00 C ATOM 1152 C GLY B 9 10.683 -9.681 -0.748 1.00 10.00 C ATOM 1153 O GLY B 9 11.251 -10.132 -1.743 1.00 10.00 O ATOM 0 H GLY B 9 8.214 -9.251 -0.857 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.756 -10.350 1.062 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.829 -11.566 -0.198 1.00 10.00 H new ATOM 1157 N GLU B 10 10.916 -8.469 -0.266 1.00 10.00 N ATOM 1158 CA GLU B 10 11.881 -7.570 -0.883 1.00 10.00 C ATOM 1159 C GLU B 10 13.203 -7.603 -0.128 1.00 10.00 C ATOM 1160 O GLU B 10 13.238 -7.909 1.066 1.00 10.00 O ATOM 1161 CB GLU B 10 11.342 -6.137 -0.892 1.00 10.00 C ATOM 1162 CG GLU B 10 10.310 -5.861 -1.971 1.00 10.00 C ATOM 1163 CD GLU B 10 10.896 -5.937 -3.362 1.00 10.00 C ATOM 1164 OE1 GLU B 10 11.298 -4.883 -3.896 1.00 10.00 O ATOM 1165 OE2 GLU B 10 10.968 -7.050 -3.919 1.00 10.00 O ATOM 0 H GLU B 10 10.448 -8.084 0.554 1.00 10.00 H new ATOM 0 HA GLU B 10 12.045 -7.903 -1.908 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.899 -5.922 0.081 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.177 -5.449 -1.021 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.495 -6.580 -1.883 1.00 10.00 H new ATOM 0 HG3 GLU B 10 9.880 -4.872 -1.814 1.00 10.00 H new ATOM 1172 N GLU B 11 14.284 -7.297 -0.832 1.00 10.00 N ATOM 1173 CA GLU B 11 15.606 -7.265 -0.228 1.00 10.00 C ATOM 1174 C GLU B 11 15.940 -5.841 0.197 1.00 10.00 C ATOM 1175 O GLU B 11 16.082 -4.948 -0.641 1.00 10.00 O ATOM 1176 CB GLU B 11 16.653 -7.777 -1.217 1.00 10.00 C ATOM 1177 CG GLU B 11 18.002 -8.070 -0.580 1.00 10.00 C ATOM 1178 CD GLU B 11 17.932 -9.175 0.453 1.00 10.00 C ATOM 1179 OE1 GLU B 11 18.174 -8.896 1.648 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.617 -10.323 0.078 1.00 10.00 O ATOM 0 H GLU B 11 14.270 -7.067 -1.826 1.00 10.00 H new ATOM 0 HA GLU B 11 15.612 -7.912 0.649 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.280 -8.685 -1.690 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.787 -7.038 -2.007 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.713 -8.349 -1.357 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.382 -7.163 -0.111 1.00 10.00 H new ATOM 1187 N TYR B 12 16.045 -5.625 1.501 1.00 10.00 N ATOM 1188 CA TYR B 12 16.352 -4.305 2.027 1.00 10.00 C ATOM 1189 C TYR B 12 17.855 -4.056 2.002 1.00 10.00 C ATOM 1190 O TYR B 12 18.638 -4.970 1.730 1.00 10.00 O ATOM 1191 CB TYR B 12 15.812 -4.155 3.453 1.00 10.00 C ATOM 1192 CG TYR B 12 15.631 -2.714 3.875 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.637 -2.031 4.547 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.456 -2.034 3.587 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.476 -0.711 4.919 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.290 -0.713 3.958 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.302 -0.058 4.622 1.00 10.00 C ATOM 1198 OH TYR B 12 15.142 1.261 4.986 1.00 10.00 O ATOM 0 H TYR B 12 15.922 -6.346 2.212 1.00 10.00 H new ATOM 0 HA TYR B 12 15.867 -3.563 1.393 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.855 -4.671 3.528 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.495 -4.647 4.146 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.560 -2.541 4.782 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.660 -2.544 3.065 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.268 -0.194 5.441 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.370 -0.197 3.728 1.00 10.00 H new ATOM 0 HH TYR B 12 15.458 1.841 4.262 1.00 10.00 H new