USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 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 27 GLN :FLIP amide:sc= -0.167 F(o=-2.2,f=-1.4) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.23 X(o=-1.4,f=-1.8) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -166:sc= 0.629 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 69:sc= 0.546 USER MOD Single : A 1 TRP N :NH3+ 180:sc= 0.918 (180deg=0.918) USER MOD Single : A 5 CYS SG : rot 52:sc= -1.97 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000459) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 15 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -90:sc= 0.539 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.552 F(o=-2.5!,f=-0.55) USER MOD Single : A 34 THR OG1 : rot -28:sc= 0.233 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -13:sc= 0.145 USER MOD Single : A 67 GLN :FLIP amide:sc=-0.00352 F(o=-0.84,f=-0.0035) USER MOD Single : A 68 SER OG : rot 43:sc= 0.166 USER MOD Single : A 71 MET CE :methyl -130:sc= -2.62 (180deg=-3.42!) USER MOD Single : A 78 GLN : amide:sc= 0.304 K(o=0.3,f=-0.29) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -71:sc= 0.0632 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.150 0.526 -0.144 1.00 0.00 N ATOM 2 CA TRP A 1 2.020 0.166 -1.295 1.00 0.00 C ATOM 3 C TRP A 1 3.382 -0.361 -0.792 1.00 0.00 C ATOM 4 O TRP A 1 3.835 -0.005 0.301 1.00 0.00 O ATOM 5 CB TRP A 1 2.219 1.385 -2.237 1.00 0.00 C ATOM 6 CG TRP A 1 0.979 1.855 -2.971 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.323 1.478 -2.767 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.944 2.807 -4.045 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.147 2.130 -3.643 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.397 2.949 -4.439 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.922 3.544 -4.712 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -0.785 3.802 -5.466 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.537 4.394 -5.727 1.00 0.00 C ATOM 14 CH2 TRP A 1 0.193 4.520 -6.098 1.00 0.00 C ATOM 0 H1 TRP A 1 0.237 0.879 -0.496 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.991 -0.315 0.448 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.612 1.266 0.422 1.00 0.00 H new ATOM 0 HA TRP A 1 1.530 -0.624 -1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.608 2.216 -1.649 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.981 1.131 -2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.651 0.768 -2.022 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.160 2.022 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.963 3.451 -4.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -1.822 3.894 -5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 2.286 4.974 -6.246 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.076 5.195 -6.897 1.00 0.00 H new ATOM 27 N ARG A 2 4.018 -1.215 -1.609 1.00 0.00 N ATOM 28 CA ARG A 2 5.310 -1.862 -1.301 1.00 0.00 C ATOM 29 C ARG A 2 6.333 -1.503 -2.399 1.00 0.00 C ATOM 30 O ARG A 2 6.936 -2.384 -3.033 1.00 0.00 O ATOM 31 CB ARG A 2 5.113 -3.409 -1.218 1.00 0.00 C ATOM 32 CG ARG A 2 4.126 -3.903 -0.136 1.00 0.00 C ATOM 33 CD ARG A 2 4.625 -3.644 1.292 1.00 0.00 C ATOM 34 NE ARG A 2 3.659 -4.145 2.296 1.00 0.00 N ATOM 35 CZ ARG A 2 3.975 -4.739 3.458 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.238 -4.952 3.796 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.013 -5.127 4.287 1.00 0.00 N ATOM 0 H ARG A 2 3.645 -1.482 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 2 5.684 -1.507 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.767 -3.765 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.083 -3.871 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.165 -3.408 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.956 -4.972 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.589 -4.131 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.783 -2.575 1.437 1.00 0.00 H new ATOM 0 HE ARG A 2 2.667 -4.029 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.989 -4.663 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.459 -5.405 4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.035 -4.974 4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.252 -5.578 5.170 1.00 0.00 H new ATOM 51 N VAL A 3 6.541 -0.195 -2.601 1.00 0.00 N ATOM 52 CA VAL A 3 7.345 0.322 -3.726 1.00 0.00 C ATOM 53 C VAL A 3 8.844 0.306 -3.377 1.00 0.00 C ATOM 54 O VAL A 3 9.233 0.722 -2.290 1.00 0.00 O ATOM 55 CB VAL A 3 6.907 1.776 -4.127 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.526 2.192 -5.478 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.364 1.919 -4.141 1.00 0.00 C ATOM 0 H VAL A 3 6.161 0.533 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 3 7.170 -0.335 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 3 7.289 2.457 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.205 3.203 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.613 2.164 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.198 1.503 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.096 2.937 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.940 1.220 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.969 1.701 -3.149 1.00 0.00 H new ATOM 67 N ARG A 4 9.675 -0.153 -4.327 1.00 0.00 N ATOM 68 CA ARG A 4 11.123 -0.351 -4.122 1.00 0.00 C ATOM 69 C ARG A 4 11.904 0.889 -4.613 1.00 0.00 C ATOM 70 O ARG A 4 11.481 1.550 -5.564 1.00 0.00 O ATOM 71 CB ARG A 4 11.580 -1.625 -4.891 1.00 0.00 C ATOM 72 CG ARG A 4 10.654 -2.846 -4.698 1.00 0.00 C ATOM 73 CD ARG A 4 11.107 -4.091 -5.480 1.00 0.00 C ATOM 74 NE ARG A 4 10.067 -5.142 -5.470 1.00 0.00 N ATOM 75 CZ ARG A 4 10.281 -6.467 -5.463 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.505 -6.967 -5.322 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.251 -7.291 -5.565 1.00 0.00 N ATOM 0 H ARG A 4 9.361 -0.399 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 4 11.327 -0.483 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.639 -1.392 -5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.586 -1.891 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.606 -3.091 -3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.644 -2.579 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.336 -3.813 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.026 -4.482 -5.044 1.00 0.00 H new ATOM 0 HE ARG A 4 9.096 -4.831 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.303 -6.340 -5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.646 -7.977 -5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.305 -6.918 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.402 -8.300 -5.561 1.00 0.00 H new ATOM 91 N CYS A 5 13.050 1.188 -3.971 1.00 0.00 N ATOM 92 CA CYS A 5 13.900 2.340 -4.320 1.00 0.00 C ATOM 93 C CYS A 5 15.323 1.865 -4.674 1.00 0.00 C ATOM 94 O CYS A 5 16.096 1.473 -3.791 1.00 0.00 O ATOM 95 CB CYS A 5 13.938 3.362 -3.159 1.00 0.00 C ATOM 96 SG CYS A 5 14.608 2.725 -1.605 1.00 0.00 S ATOM 0 H CYS A 5 13.412 0.635 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 5 13.473 2.834 -5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 5 14.533 4.221 -3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 5 12.926 3.724 -2.980 1.00 0.00 H new ATOM 0 HG CYS A 5 15.759 2.162 -1.827 1.00 0.00 H new ATOM 102 N LYS A 6 15.634 1.856 -5.980 1.00 0.00 N ATOM 103 CA LYS A 6 16.989 1.610 -6.496 1.00 0.00 C ATOM 104 C LYS A 6 17.857 2.858 -6.262 1.00 0.00 C ATOM 105 O LYS A 6 17.609 3.905 -6.851 1.00 0.00 O ATOM 106 CB LYS A 6 16.931 1.273 -8.020 1.00 0.00 C ATOM 107 CG LYS A 6 18.303 1.237 -8.748 1.00 0.00 C ATOM 108 CD LYS A 6 19.233 0.094 -8.278 1.00 0.00 C ATOM 109 CE LYS A 6 18.745 -1.302 -8.711 1.00 0.00 C ATOM 110 NZ LYS A 6 19.621 -2.374 -8.164 1.00 0.00 N ATOM 0 H LYS A 6 14.945 2.021 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 6 17.427 0.762 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.449 0.303 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.296 2.009 -8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.132 1.135 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.809 2.190 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.234 0.262 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.313 0.123 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.722 -1.455 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.728 -1.363 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.420 -3.270 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.618 -2.116 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.438 -2.487 -7.147 1.00 0.00 H new ATOM 124 N ALA A 7 18.866 2.740 -5.399 1.00 0.00 N ATOM 125 CA ALA A 7 19.810 3.835 -5.124 1.00 0.00 C ATOM 126 C ALA A 7 21.250 3.353 -5.319 1.00 0.00 C ATOM 127 O ALA A 7 21.515 2.140 -5.372 1.00 0.00 O ATOM 128 CB ALA A 7 19.602 4.404 -3.710 1.00 0.00 C ATOM 0 H ALA A 7 19.056 1.889 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 7 19.618 4.641 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.313 5.211 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.586 4.789 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.759 3.616 -2.974 1.00 0.00 H new ATOM 134 N LYS A 8 22.168 4.330 -5.424 1.00 0.00 N ATOM 135 CA LYS A 8 23.621 4.083 -5.536 1.00 0.00 C ATOM 136 C LYS A 8 24.166 3.392 -4.274 1.00 0.00 C ATOM 137 O LYS A 8 25.121 2.616 -4.352 1.00 0.00 O ATOM 138 CB LYS A 8 24.355 5.422 -5.777 1.00 0.00 C ATOM 139 CG LYS A 8 24.031 6.084 -7.138 1.00 0.00 C ATOM 140 CD LYS A 8 24.646 7.500 -7.284 1.00 0.00 C ATOM 141 CE LYS A 8 26.167 7.538 -7.035 1.00 0.00 C ATOM 142 NZ LYS A 8 26.912 6.627 -7.940 1.00 0.00 N ATOM 0 H LYS A 8 21.924 5.320 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 8 23.797 3.417 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.096 6.115 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.430 5.251 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.401 5.448 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.949 6.150 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.440 7.875 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.154 8.175 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.529 8.557 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.370 7.263 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.931 6.701 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.599 5.648 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.728 6.893 -8.928 1.00 0.00 H new ATOM 156 N GLY A 9 23.540 3.692 -3.121 1.00 0.00 N ATOM 157 CA GLY A 9 23.874 3.057 -1.851 1.00 0.00 C ATOM 158 C GLY A 9 22.914 1.921 -1.497 1.00 0.00 C ATOM 159 O GLY A 9 22.637 1.688 -0.312 1.00 0.00 O ATOM 0 H GLY A 9 22.791 4.381 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.891 2.668 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.856 3.805 -1.058 1.00 0.00 H new ATOM 163 N GLY A 10 22.402 1.211 -2.531 1.00 0.00 N ATOM 164 CA GLY A 10 21.611 -0.019 -2.346 1.00 0.00 C ATOM 165 C GLY A 10 20.134 0.129 -2.699 1.00 0.00 C ATOM 166 O GLY A 10 19.596 1.238 -2.711 1.00 0.00 O ATOM 0 H GLY A 10 22.527 1.476 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.042 -0.811 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.695 -0.339 -1.307 1.00 0.00 H new ATOM 170 N THR A 11 19.477 -1.019 -2.953 1.00 0.00 N ATOM 171 CA THR A 11 18.041 -1.084 -3.276 1.00 0.00 C ATOM 172 C THR A 11 17.243 -1.543 -2.044 1.00 0.00 C ATOM 173 O THR A 11 17.397 -2.675 -1.563 1.00 0.00 O ATOM 174 CB THR A 11 17.780 -2.055 -4.466 1.00 0.00 C ATOM 175 OG1 THR A 11 18.610 -1.676 -5.564 1.00 0.00 O ATOM 176 CG2 THR A 11 16.307 -2.045 -4.931 1.00 0.00 C ATOM 0 H THR A 11 19.932 -1.932 -2.939 1.00 0.00 H new ATOM 0 HA THR A 11 17.713 -0.086 -3.568 1.00 0.00 H new ATOM 0 HB THR A 11 18.010 -3.063 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.547 -1.862 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.183 -2.740 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.663 -2.348 -4.106 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.034 -1.040 -5.254 1.00 0.00 H new ATOM 184 N HIS A 12 16.393 -0.644 -1.545 1.00 0.00 N ATOM 185 CA HIS A 12 15.519 -0.892 -0.385 1.00 0.00 C ATOM 186 C HIS A 12 14.054 -0.954 -0.849 1.00 0.00 C ATOM 187 O HIS A 12 13.774 -0.853 -2.044 1.00 0.00 O ATOM 188 CB HIS A 12 15.727 0.220 0.683 1.00 0.00 C ATOM 189 CG HIS A 12 17.047 0.146 1.419 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.147 -0.230 2.744 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.314 0.410 1.015 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.407 -0.210 3.113 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.139 0.171 2.085 1.00 0.00 N ATOM 0 H HIS A 12 16.287 0.292 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 12 15.775 -1.848 0.072 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.651 1.192 0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.917 0.164 1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.617 0.746 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 12 18.781 -0.463 4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.154 0.272 2.085 1.00 0.00 H new ATOM 202 N LEU A 13 13.131 -1.179 0.096 1.00 0.00 N ATOM 203 CA LEU A 13 11.682 -1.201 -0.182 1.00 0.00 C ATOM 204 C LEU A 13 10.969 -0.373 0.904 1.00 0.00 C ATOM 205 O LEU A 13 11.216 -0.562 2.098 1.00 0.00 O ATOM 206 CB LEU A 13 11.181 -2.683 -0.249 1.00 0.00 C ATOM 207 CG LEU A 13 9.730 -2.950 -0.812 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.558 -4.431 -1.248 1.00 0.00 C ATOM 209 CD2 LEU A 13 8.623 -2.572 0.202 1.00 0.00 C ATOM 0 H LEU A 13 13.364 -1.351 1.074 1.00 0.00 H new ATOM 0 HA LEU A 13 11.455 -0.753 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.886 -3.246 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.230 -3.098 0.758 1.00 0.00 H new ATOM 0 HG LEU A 13 9.619 -2.306 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.549 -4.583 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.281 -4.667 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.723 -5.084 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.645 -2.775 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.745 -3.162 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.699 -1.512 0.445 1.00 0.00 H new ATOM 221 N LEU A 14 10.094 0.546 0.465 1.00 0.00 N ATOM 222 CA LEU A 14 9.311 1.427 1.342 1.00 0.00 C ATOM 223 C LEU A 14 7.915 0.824 1.573 1.00 0.00 C ATOM 224 O LEU A 14 7.096 0.750 0.640 1.00 0.00 O ATOM 225 CB LEU A 14 9.164 2.859 0.738 1.00 0.00 C ATOM 226 CG LEU A 14 10.479 3.659 0.432 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.153 3.185 -0.874 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.229 5.187 0.416 1.00 0.00 C ATOM 0 H LEU A 14 9.909 0.699 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 14 9.844 1.512 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.598 2.775 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.562 3.453 1.426 1.00 0.00 H new ATOM 0 HG LEU A 14 11.172 3.449 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.059 3.765 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.409 2.129 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.467 3.326 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.163 5.706 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.495 5.428 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.853 5.504 1.389 1.00 0.00 H new ATOM 240 N GLN A 15 7.663 0.372 2.807 1.00 0.00 N ATOM 241 CA GLN A 15 6.330 -0.087 3.253 1.00 0.00 C ATOM 242 C GLN A 15 5.476 1.129 3.677 1.00 0.00 C ATOM 243 O GLN A 15 4.256 1.027 3.780 1.00 0.00 O ATOM 244 CB GLN A 15 6.446 -1.084 4.447 1.00 0.00 C ATOM 245 CG GLN A 15 7.289 -2.360 4.184 1.00 0.00 C ATOM 246 CD GLN A 15 8.806 -2.124 4.125 1.00 0.00 C ATOM 247 OE1 GLN A 15 9.340 -1.238 4.789 1.00 0.00 O ATOM 248 NE2 GLN A 15 9.505 -2.912 3.333 1.00 0.00 N ATOM 0 H GLN A 15 8.378 0.312 3.532 1.00 0.00 H new ATOM 0 HA GLN A 15 5.853 -0.604 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.878 -0.555 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.441 -1.389 4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.078 -3.087 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.967 -2.805 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.035 -3.639 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.516 -2.795 3.260 1.00 0.00 H new ATOM 257 N GLY A 16 6.154 2.273 3.924 1.00 0.00 N ATOM 258 CA GLY A 16 5.520 3.506 4.396 1.00 0.00 C ATOM 259 C GLY A 16 4.800 4.277 3.300 1.00 0.00 C ATOM 260 O GLY A 16 4.007 5.180 3.600 1.00 0.00 O ATOM 0 H GLY A 16 7.163 2.358 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.808 3.260 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.280 4.148 4.842 1.00 0.00 H new ATOM 264 N LEU A 17 5.077 3.942 2.022 1.00 0.00 N ATOM 265 CA LEU A 17 4.376 4.554 0.888 1.00 0.00 C ATOM 266 C LEU A 17 2.944 4.017 0.812 1.00 0.00 C ATOM 267 O LEU A 17 2.726 2.825 0.623 1.00 0.00 O ATOM 268 CB LEU A 17 5.112 4.322 -0.461 1.00 0.00 C ATOM 269 CG LEU A 17 6.498 5.025 -0.603 1.00 0.00 C ATOM 270 CD1 LEU A 17 7.106 4.802 -2.005 1.00 0.00 C ATOM 271 CD2 LEU A 17 6.401 6.532 -0.275 1.00 0.00 C ATOM 0 H LEU A 17 5.780 3.252 1.757 1.00 0.00 H new ATOM 0 HA LEU A 17 4.357 5.631 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.253 3.250 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.467 4.664 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 17 7.168 4.567 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.071 5.306 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.242 3.734 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.435 5.208 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.383 6.992 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.699 7.009 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.052 6.660 0.750 1.00 0.00 H new ATOM 283 N SER A 18 1.993 4.915 1.033 1.00 0.00 N ATOM 284 CA SER A 18 0.561 4.660 0.850 1.00 0.00 C ATOM 285 C SER A 18 0.164 5.041 -0.591 1.00 0.00 C ATOM 286 O SER A 18 1.032 5.226 -1.453 1.00 0.00 O ATOM 287 CB SER A 18 -0.233 5.483 1.890 1.00 0.00 C ATOM 288 OG SER A 18 0.196 5.207 3.210 1.00 0.00 O ATOM 0 H SER A 18 2.195 5.863 1.351 1.00 0.00 H new ATOM 0 HA SER A 18 0.333 3.605 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.112 6.546 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.296 5.259 1.798 1.00 0.00 H new ATOM 0 HG SER A 18 -0.325 5.745 3.842 1.00 0.00 H new ATOM 294 N SER A 19 -1.146 5.127 -0.859 1.00 0.00 N ATOM 295 CA SER A 19 -1.665 5.593 -2.154 1.00 0.00 C ATOM 296 C SER A 19 -1.562 7.134 -2.242 1.00 0.00 C ATOM 297 O SER A 19 -1.053 7.678 -3.226 1.00 0.00 O ATOM 298 CB SER A 19 -3.131 5.115 -2.334 1.00 0.00 C ATOM 299 OG SER A 19 -3.675 5.498 -3.592 1.00 0.00 O ATOM 0 H SER A 19 -1.873 4.877 -0.189 1.00 0.00 H new ATOM 0 HA SER A 19 -1.067 5.170 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.171 4.030 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.746 5.528 -1.534 1.00 0.00 H new ATOM 0 HG SER A 19 -4.597 5.175 -3.662 1.00 0.00 H new ATOM 305 N ARG A 20 -1.977 7.808 -1.151 1.00 0.00 N ATOM 306 CA ARG A 20 -2.168 9.279 -1.090 1.00 0.00 C ATOM 307 C ARG A 20 -0.897 10.029 -0.635 1.00 0.00 C ATOM 308 O ARG A 20 -0.982 11.205 -0.249 1.00 0.00 O ATOM 309 CB ARG A 20 -3.339 9.588 -0.109 1.00 0.00 C ATOM 310 CG ARG A 20 -4.711 9.017 -0.538 1.00 0.00 C ATOM 311 CD ARG A 20 -5.804 9.223 0.524 1.00 0.00 C ATOM 312 NE ARG A 20 -7.133 8.766 0.059 1.00 0.00 N ATOM 313 CZ ARG A 20 -8.161 8.431 0.850 1.00 0.00 C ATOM 314 NH1 ARG A 20 -8.019 8.374 2.170 1.00 0.00 N ATOM 315 NH2 ARG A 20 -9.335 8.142 0.312 1.00 0.00 N ATOM 0 H ARG A 20 -2.194 7.342 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.396 9.629 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.086 9.189 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.429 10.669 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.022 9.492 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.607 7.952 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.533 8.682 1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.857 10.279 0.787 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.278 8.701 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.117 8.587 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.812 8.117 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.454 8.175 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.121 7.886 0.910 1.00 0.00 H new ATOM 329 N THR A 21 0.268 9.366 -0.711 1.00 0.00 N ATOM 330 CA THR A 21 1.534 9.905 -0.196 1.00 0.00 C ATOM 331 C THR A 21 1.993 11.159 -0.987 1.00 0.00 C ATOM 332 O THR A 21 2.264 11.089 -2.190 1.00 0.00 O ATOM 333 CB THR A 21 2.632 8.795 -0.198 1.00 0.00 C ATOM 334 OG1 THR A 21 2.178 7.684 0.587 1.00 0.00 O ATOM 335 CG2 THR A 21 3.974 9.280 0.356 1.00 0.00 C ATOM 0 H THR A 21 0.357 8.441 -1.132 1.00 0.00 H new ATOM 0 HA THR A 21 1.370 10.227 0.832 1.00 0.00 H new ATOM 0 HB THR A 21 2.795 8.506 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.457 7.806 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.696 8.463 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.340 10.108 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.843 9.614 1.385 1.00 0.00 H new ATOM 343 N ARG A 22 2.039 12.305 -0.273 1.00 0.00 N ATOM 344 CA ARG A 22 2.493 13.608 -0.817 1.00 0.00 C ATOM 345 C ARG A 22 4.024 13.616 -0.970 1.00 0.00 C ATOM 346 O ARG A 22 4.676 12.683 -0.523 1.00 0.00 O ATOM 347 CB ARG A 22 2.042 14.751 0.130 1.00 0.00 C ATOM 348 CG ARG A 22 0.535 14.735 0.463 1.00 0.00 C ATOM 349 CD ARG A 22 0.123 15.859 1.419 1.00 0.00 C ATOM 350 NE ARG A 22 -1.274 15.716 1.858 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.959 16.612 2.584 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.420 17.780 2.907 1.00 0.00 N ATOM 353 NH2 ARG A 22 -3.197 16.342 2.964 1.00 0.00 N ATOM 0 H ARG A 22 1.760 12.354 0.707 1.00 0.00 H new ATOM 0 HA ARG A 22 2.047 13.761 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.609 14.684 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.292 15.708 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.037 14.823 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.277 13.774 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.780 15.856 2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.252 16.822 0.925 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.763 14.863 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.473 18.006 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.952 18.452 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.628 15.455 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.721 17.021 3.516 1.00 0.00 H new ATOM 367 N LEU A 23 4.585 14.682 -1.581 1.00 0.00 N ATOM 368 CA LEU A 23 6.048 14.805 -1.812 1.00 0.00 C ATOM 369 C LEU A 23 6.839 14.815 -0.491 1.00 0.00 C ATOM 370 O LEU A 23 7.824 14.081 -0.337 1.00 0.00 O ATOM 371 CB LEU A 23 6.383 16.090 -2.615 1.00 0.00 C ATOM 372 CG LEU A 23 7.911 16.403 -2.780 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.643 15.251 -3.484 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.154 17.742 -3.503 1.00 0.00 C ATOM 0 H LEU A 23 4.046 15.476 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 23 6.345 13.929 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.938 16.004 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.907 16.939 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 23 8.326 16.502 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.700 15.498 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.537 14.339 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.212 15.097 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.226 17.917 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.706 17.706 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.702 18.552 -2.930 1.00 0.00 H new ATOM 386 N ARG A 24 6.392 15.659 0.447 1.00 0.00 N ATOM 387 CA ARG A 24 7.052 15.837 1.758 1.00 0.00 C ATOM 388 C ARG A 24 7.016 14.536 2.597 1.00 0.00 C ATOM 389 O ARG A 24 7.801 14.364 3.532 1.00 0.00 O ATOM 390 CB ARG A 24 6.400 17.041 2.494 1.00 0.00 C ATOM 391 CG ARG A 24 4.876 16.908 2.814 1.00 0.00 C ATOM 392 CD ARG A 24 4.591 16.365 4.224 1.00 0.00 C ATOM 393 NE ARG A 24 5.208 17.216 5.252 1.00 0.00 N ATOM 394 CZ ARG A 24 5.683 16.794 6.433 1.00 0.00 C ATOM 395 NH1 ARG A 24 5.567 15.528 6.806 1.00 0.00 N ATOM 396 NH2 ARG A 24 6.277 17.647 7.239 1.00 0.00 N ATOM 0 H ARG A 24 5.563 16.240 0.324 1.00 0.00 H new ATOM 0 HA ARG A 24 8.108 16.058 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.934 17.201 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.546 17.934 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.404 17.885 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.415 16.248 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.514 16.314 4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.975 15.348 4.310 1.00 0.00 H new ATOM 0 HE ARG A 24 5.281 18.213 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.110 14.855 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.935 15.226 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.375 18.625 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.640 17.331 8.138 1.00 0.00 H new ATOM 410 N GLU A 25 6.083 13.638 2.233 1.00 0.00 N ATOM 411 CA GLU A 25 5.956 12.290 2.806 1.00 0.00 C ATOM 412 C GLU A 25 6.826 11.290 2.015 1.00 0.00 C ATOM 413 O GLU A 25 7.461 10.419 2.593 1.00 0.00 O ATOM 414 CB GLU A 25 4.464 11.868 2.751 1.00 0.00 C ATOM 415 CG GLU A 25 3.496 12.832 3.461 1.00 0.00 C ATOM 416 CD GLU A 25 3.501 12.707 4.994 1.00 0.00 C ATOM 417 OE1 GLU A 25 4.476 13.134 5.638 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.511 12.203 5.568 1.00 0.00 O ATOM 0 H GLU A 25 5.383 13.835 1.518 1.00 0.00 H new ATOM 0 HA GLU A 25 6.300 12.293 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.164 11.778 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.364 10.879 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.754 13.855 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.485 12.651 3.095 1.00 0.00 H new ATOM 425 N LEU A 26 6.853 11.466 0.684 1.00 0.00 N ATOM 426 CA LEU A 26 7.522 10.565 -0.272 1.00 0.00 C ATOM 427 C LEU A 26 9.043 10.626 -0.060 1.00 0.00 C ATOM 428 O LEU A 26 9.638 9.670 0.451 1.00 0.00 O ATOM 429 CB LEU A 26 7.051 10.956 -1.729 1.00 0.00 C ATOM 430 CG LEU A 26 7.671 10.228 -2.990 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.945 10.926 -3.506 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.918 8.725 -2.732 1.00 0.00 C ATOM 0 H LEU A 26 6.399 12.259 0.230 1.00 0.00 H new ATOM 0 HA LEU A 26 7.246 9.522 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.972 10.809 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.232 12.024 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 26 6.924 10.304 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.330 10.387 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.708 11.951 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.699 10.935 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.344 8.268 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.611 8.608 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.974 8.237 -2.490 1.00 0.00 H new ATOM 444 N GLN A 27 9.641 11.792 -0.369 1.00 0.00 N ATOM 445 CA GLN A 27 11.085 12.030 -0.186 1.00 0.00 C ATOM 446 C GLN A 27 11.467 12.098 1.299 1.00 0.00 C ATOM 447 O GLN A 27 12.639 11.905 1.645 1.00 0.00 O ATOM 448 CB GLN A 27 11.543 13.313 -0.928 1.00 0.00 C ATOM 449 CG GLN A 27 11.591 13.169 -2.461 1.00 0.00 C ATOM 450 CD GLN A 27 12.320 14.315 -3.168 1.00 0.00 C ATOM 451 OE1 GLN A 27 13.030 13.986 -4.239 1.00 0.00 O flip ATOM 452 NE2 GLN A 27 12.271 15.468 -2.739 1.00 0.00 N flip ATOM 0 H GLN A 27 9.139 12.593 -0.751 1.00 0.00 H new ATOM 0 HA GLN A 27 11.606 11.179 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.868 14.129 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.533 13.594 -0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.082 12.229 -2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.572 13.109 -2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.713 15.681 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.788 16.210 -3.211 1.00 0.00 H new ATOM 461 N GLY A 28 10.463 12.372 2.159 1.00 0.00 N ATOM 462 CA GLY A 28 10.650 12.362 3.613 1.00 0.00 C ATOM 463 C GLY A 28 10.897 10.952 4.154 1.00 0.00 C ATOM 464 O GLY A 28 11.650 10.766 5.116 1.00 0.00 O ATOM 0 H GLY A 28 9.514 12.603 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.493 13.002 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.768 12.785 4.094 1.00 0.00 H new ATOM 468 N GLN A 29 10.267 9.950 3.506 1.00 0.00 N ATOM 469 CA GLN A 29 10.416 8.528 3.873 1.00 0.00 C ATOM 470 C GLN A 29 11.620 7.905 3.158 1.00 0.00 C ATOM 471 O GLN A 29 12.262 7.036 3.719 1.00 0.00 O ATOM 472 CB GLN A 29 9.109 7.743 3.570 1.00 0.00 C ATOM 473 CG GLN A 29 7.953 8.061 4.552 1.00 0.00 C ATOM 474 CD GLN A 29 6.598 7.461 4.154 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.294 7.428 2.865 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 5.803 7.085 5.005 1.00 0.00 N flip ATOM 0 H GLN A 29 9.642 10.105 2.715 1.00 0.00 H new ATOM 0 HA GLN A 29 10.600 8.467 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.785 7.971 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.321 6.674 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.222 7.693 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.848 9.143 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.058 7.119 5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.885 6.737 4.727 1.00 0.00 H new ATOM 485 N ILE A 30 11.929 8.372 1.928 1.00 0.00 N ATOM 486 CA ILE A 30 13.130 7.922 1.173 1.00 0.00 C ATOM 487 C ILE A 30 14.421 8.291 1.956 1.00 0.00 C ATOM 488 O ILE A 30 15.371 7.495 2.038 1.00 0.00 O ATOM 489 CB ILE A 30 13.170 8.554 -0.273 1.00 0.00 C ATOM 490 CG1 ILE A 30 11.944 8.102 -1.133 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.493 8.221 -1.009 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.862 8.744 -2.509 1.00 0.00 C ATOM 0 H ILE A 30 11.365 9.062 1.432 1.00 0.00 H new ATOM 0 HA ILE A 30 13.074 6.839 1.064 1.00 0.00 H new ATOM 0 HB ILE A 30 13.117 9.635 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.982 7.019 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.030 8.330 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.482 8.674 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.335 8.615 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.594 7.140 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.982 8.371 -3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.789 9.826 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.756 8.495 -3.080 1.00 0.00 H new ATOM 504 N ALA A 31 14.402 9.499 2.554 1.00 0.00 N ATOM 505 CA ALA A 31 15.482 10.012 3.429 1.00 0.00 C ATOM 506 C ALA A 31 15.678 9.131 4.682 1.00 0.00 C ATOM 507 O ALA A 31 16.760 9.103 5.267 1.00 0.00 O ATOM 508 CB ALA A 31 15.168 11.466 3.829 1.00 0.00 C ATOM 0 H ALA A 31 13.629 10.155 2.443 1.00 0.00 H new ATOM 0 HA ALA A 31 16.418 9.980 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.961 11.846 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.101 12.083 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.219 11.499 4.364 1.00 0.00 H new ATOM 514 N ALA A 32 14.606 8.434 5.080 1.00 0.00 N ATOM 515 CA ALA A 32 14.589 7.552 6.259 1.00 0.00 C ATOM 516 C ALA A 32 14.874 6.077 5.877 1.00 0.00 C ATOM 517 O ALA A 32 15.354 5.303 6.708 1.00 0.00 O ATOM 518 CB ALA A 32 13.236 7.688 6.977 1.00 0.00 C ATOM 0 H ALA A 32 13.713 8.466 4.587 1.00 0.00 H new ATOM 0 HA ALA A 32 15.387 7.860 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.220 7.036 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.094 8.721 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.433 7.403 6.297 1.00 0.00 H new ATOM 524 N ILE A 33 14.560 5.701 4.618 1.00 0.00 N ATOM 525 CA ILE A 33 14.660 4.304 4.122 1.00 0.00 C ATOM 526 C ILE A 33 16.061 4.015 3.542 1.00 0.00 C ATOM 527 O ILE A 33 16.831 3.243 4.119 1.00 0.00 O ATOM 528 CB ILE A 33 13.514 4.009 3.056 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.115 3.930 3.755 1.00 0.00 C ATOM 530 CG2 ILE A 33 13.775 2.726 2.223 1.00 0.00 C ATOM 531 CD1 ILE A 33 11.946 2.750 4.701 1.00 0.00 C ATOM 0 H ILE A 33 14.228 6.358 3.912 1.00 0.00 H new ATOM 0 HA ILE A 33 14.517 3.630 4.966 1.00 0.00 H new ATOM 0 HB ILE A 33 13.521 4.845 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.949 4.852 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.342 3.878 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.959 2.580 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 33 14.714 2.830 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.836 1.866 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.948 2.775 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.076 1.819 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.692 2.809 5.493 1.00 0.00 H new ATOM 543 N THR A 34 16.389 4.644 2.404 1.00 0.00 N ATOM 544 CA THR A 34 17.688 4.450 1.724 1.00 0.00 C ATOM 545 C THR A 34 18.699 5.538 2.162 1.00 0.00 C ATOM 546 O THR A 34 19.885 5.468 1.821 1.00 0.00 O ATOM 547 CB THR A 34 17.497 4.406 0.168 1.00 0.00 C ATOM 548 OG1 THR A 34 18.748 4.181 -0.510 1.00 0.00 O ATOM 549 CG2 THR A 34 16.833 5.682 -0.366 1.00 0.00 C ATOM 0 H THR A 34 15.769 5.299 1.928 1.00 0.00 H new ATOM 0 HA THR A 34 18.103 3.487 2.022 1.00 0.00 H new ATOM 0 HB THR A 34 16.832 3.567 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.483 4.529 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.720 5.608 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.852 5.801 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.454 6.544 -0.124 1.00 0.00 H new ATOM 557 N GLY A 35 18.205 6.536 2.926 1.00 0.00 N ATOM 558 CA GLY A 35 19.062 7.520 3.587 1.00 0.00 C ATOM 559 C GLY A 35 19.464 8.689 2.707 1.00 0.00 C ATOM 560 O GLY A 35 20.311 9.495 3.119 1.00 0.00 O ATOM 0 H GLY A 35 17.209 6.674 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.544 7.903 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.963 7.020 3.941 1.00 0.00 H new ATOM 564 N ILE A 36 18.872 8.801 1.494 1.00 0.00 N ATOM 565 CA ILE A 36 19.215 9.885 0.551 1.00 0.00 C ATOM 566 C ILE A 36 18.354 11.114 0.862 1.00 0.00 C ATOM 567 O ILE A 36 17.115 11.032 0.795 1.00 0.00 O ATOM 568 CB ILE A 36 19.022 9.488 -0.968 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.521 8.034 -1.256 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.747 10.507 -1.890 1.00 0.00 C ATOM 571 CD1 ILE A 36 20.965 7.768 -0.906 1.00 0.00 C ATOM 0 H ILE A 36 18.160 8.157 1.150 1.00 0.00 H new ATOM 0 HA ILE A 36 20.275 10.097 0.689 1.00 0.00 H new ATOM 0 HB ILE A 36 17.954 9.515 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.895 7.336 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.375 7.820 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.605 10.220 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.334 11.502 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.812 10.514 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.212 6.733 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.607 8.435 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.120 7.943 0.159 1.00 0.00 H new ATOM 583 N ALA A 37 19.020 12.234 1.196 1.00 0.00 N ATOM 584 CA ALA A 37 18.365 13.504 1.559 1.00 0.00 C ATOM 585 C ALA A 37 17.446 13.999 0.417 1.00 0.00 C ATOM 586 O ALA A 37 17.834 13.883 -0.740 1.00 0.00 O ATOM 587 CB ALA A 37 19.440 14.552 1.912 1.00 0.00 C ATOM 0 H ALA A 37 20.038 12.283 1.222 1.00 0.00 H new ATOM 0 HA ALA A 37 17.732 13.344 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.958 15.492 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.033 14.195 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.090 14.711 1.051 1.00 0.00 H new ATOM 593 N PRO A 38 16.221 14.548 0.729 1.00 0.00 N ATOM 594 CA PRO A 38 15.213 14.953 -0.296 1.00 0.00 C ATOM 595 C PRO A 38 15.740 15.977 -1.340 1.00 0.00 C ATOM 596 O PRO A 38 15.253 16.023 -2.475 1.00 0.00 O ATOM 597 CB PRO A 38 14.039 15.532 0.552 1.00 0.00 C ATOM 598 CG PRO A 38 14.619 15.817 1.907 1.00 0.00 C ATOM 599 CD PRO A 38 15.713 14.801 2.108 1.00 0.00 C ATOM 0 HA PRO A 38 14.922 14.107 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.639 16.439 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.217 14.820 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.014 16.832 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.859 15.732 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.499 15.183 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.332 13.889 2.568 1.00 0.00 H new ATOM 607 N GLY A 39 16.757 16.773 -0.944 1.00 0.00 N ATOM 608 CA GLY A 39 17.421 17.731 -1.851 1.00 0.00 C ATOM 609 C GLY A 39 18.683 17.162 -2.499 1.00 0.00 C ATOM 610 O GLY A 39 19.569 17.912 -2.920 1.00 0.00 O ATOM 0 H GLY A 39 17.136 16.770 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.721 18.029 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.679 18.631 -1.294 1.00 0.00 H new ATOM 614 N SER A 40 18.766 15.826 -2.560 1.00 0.00 N ATOM 615 CA SER A 40 19.906 15.083 -3.133 1.00 0.00 C ATOM 616 C SER A 40 19.390 13.893 -3.977 1.00 0.00 C ATOM 617 O SER A 40 20.174 13.006 -4.354 1.00 0.00 O ATOM 618 CB SER A 40 20.817 14.573 -1.987 1.00 0.00 C ATOM 619 OG SER A 40 21.250 15.623 -1.134 1.00 0.00 O ATOM 0 H SER A 40 18.029 15.215 -2.206 1.00 0.00 H new ATOM 0 HA SER A 40 20.482 15.744 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.277 13.830 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.686 14.072 -2.413 1.00 0.00 H new ATOM 0 HG SER A 40 21.820 15.256 -0.426 1.00 0.00 H new ATOM 625 N GLN A 41 18.076 13.902 -4.295 1.00 0.00 N ATOM 626 CA GLN A 41 17.404 12.794 -5.001 1.00 0.00 C ATOM 627 C GLN A 41 16.114 13.270 -5.685 1.00 0.00 C ATOM 628 O GLN A 41 15.666 14.409 -5.481 1.00 0.00 O ATOM 629 CB GLN A 41 17.087 11.639 -4.011 1.00 0.00 C ATOM 630 CG GLN A 41 16.299 12.054 -2.733 1.00 0.00 C ATOM 631 CD GLN A 41 14.862 11.540 -2.657 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.202 11.287 -3.665 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.353 11.426 -1.445 1.00 0.00 N ATOM 0 H GLN A 41 17.454 14.678 -4.068 1.00 0.00 H new ATOM 0 HA GLN A 41 18.082 12.428 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.514 10.877 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.026 11.177 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.842 11.696 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.282 13.142 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.925 11.643 -0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.387 11.121 -1.324 1.00 0.00 H new ATOM 642 N ARG A 42 15.534 12.365 -6.489 1.00 0.00 N ATOM 643 CA ARG A 42 14.247 12.560 -7.177 1.00 0.00 C ATOM 644 C ARG A 42 13.693 11.187 -7.589 1.00 0.00 C ATOM 645 O ARG A 42 14.268 10.141 -7.237 1.00 0.00 O ATOM 646 CB ARG A 42 14.417 13.497 -8.413 1.00 0.00 C ATOM 647 CG ARG A 42 15.263 12.909 -9.566 1.00 0.00 C ATOM 648 CD ARG A 42 15.706 13.976 -10.586 1.00 0.00 C ATOM 649 NE ARG A 42 14.598 14.817 -11.082 1.00 0.00 N ATOM 650 CZ ARG A 42 14.759 15.955 -11.780 1.00 0.00 C ATOM 651 NH1 ARG A 42 15.969 16.371 -12.141 1.00 0.00 N ATOM 652 NH2 ARG A 42 13.707 16.671 -12.133 1.00 0.00 N ATOM 0 H ARG A 42 15.956 11.457 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 42 13.540 13.043 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.429 13.748 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.877 14.429 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.145 12.421 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.685 12.140 -10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.459 14.616 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.183 13.482 -11.432 1.00 0.00 H new ATOM 0 HE ARG A 42 13.645 14.514 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.792 15.825 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.074 17.237 -12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.770 16.361 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.832 17.534 -12.662 1.00 0.00 H new ATOM 666 N ILE A 43 12.578 11.187 -8.346 1.00 0.00 N ATOM 667 CA ILE A 43 11.941 9.950 -8.829 1.00 0.00 C ATOM 668 C ILE A 43 12.225 9.805 -10.315 1.00 0.00 C ATOM 669 O ILE A 43 11.804 10.633 -11.140 1.00 0.00 O ATOM 670 CB ILE A 43 10.384 9.905 -8.576 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.072 10.059 -7.057 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.746 8.607 -9.149 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.811 9.102 -6.133 1.00 0.00 C ATOM 0 H ILE A 43 12.098 12.039 -8.637 1.00 0.00 H new ATOM 0 HA ILE A 43 12.366 9.121 -8.263 1.00 0.00 H new ATOM 0 HB ILE A 43 9.937 10.746 -9.106 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.309 11.080 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.001 9.924 -6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.673 8.613 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.920 8.560 -10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.197 7.738 -8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.520 9.296 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.557 8.075 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.886 9.249 -6.241 1.00 0.00 H new ATOM 685 N LEU A 44 13.003 8.778 -10.628 1.00 0.00 N ATOM 686 CA LEU A 44 13.297 8.350 -11.991 1.00 0.00 C ATOM 687 C LEU A 44 12.846 6.905 -12.097 1.00 0.00 C ATOM 688 O LEU A 44 13.098 6.118 -11.199 1.00 0.00 O ATOM 689 CB LEU A 44 14.811 8.506 -12.259 1.00 0.00 C ATOM 690 CG LEU A 44 15.362 9.939 -11.989 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.897 9.961 -11.945 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.799 10.977 -12.999 1.00 0.00 C ATOM 0 H LEU A 44 13.461 8.202 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 44 12.778 8.952 -12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.354 7.796 -11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 44 15.015 8.240 -13.296 1.00 0.00 H new ATOM 0 HG LEU A 44 15.009 10.234 -11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.241 10.978 -11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.248 9.304 -11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.293 9.617 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.209 11.962 -12.775 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.081 10.689 -14.012 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.712 11.009 -12.920 1.00 0.00 H new ATOM 704 N VAL A 45 12.141 6.578 -13.164 1.00 0.00 N ATOM 705 CA VAL A 45 11.519 5.250 -13.338 1.00 0.00 C ATOM 706 C VAL A 45 12.322 4.396 -14.335 1.00 0.00 C ATOM 707 O VAL A 45 13.209 4.916 -15.025 1.00 0.00 O ATOM 708 CB VAL A 45 10.011 5.406 -13.765 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.146 5.885 -12.565 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.876 6.378 -14.966 1.00 0.00 C ATOM 0 H VAL A 45 11.975 7.216 -13.943 1.00 0.00 H new ATOM 0 HA VAL A 45 11.536 4.722 -12.384 1.00 0.00 H new ATOM 0 HB VAL A 45 9.644 4.429 -14.079 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.108 5.986 -12.882 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.209 5.156 -11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.514 6.849 -12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.826 6.470 -15.243 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.265 7.357 -14.687 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.442 5.991 -15.813 1.00 0.00 H new ATOM 720 N GLY A 46 12.018 3.078 -14.356 1.00 0.00 N ATOM 721 CA GLY A 46 12.711 2.093 -15.200 1.00 0.00 C ATOM 722 C GLY A 46 12.657 2.446 -16.682 1.00 0.00 C ATOM 723 O GLY A 46 13.701 2.552 -17.344 1.00 0.00 O ATOM 0 H GLY A 46 11.279 2.671 -13.782 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.752 2.020 -14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.263 1.111 -15.048 1.00 0.00 H new ATOM 727 N TYR A 47 11.425 2.640 -17.192 1.00 0.00 N ATOM 728 CA TYR A 47 11.182 3.198 -18.541 1.00 0.00 C ATOM 729 C TYR A 47 11.640 4.682 -18.572 1.00 0.00 C ATOM 730 O TYR A 47 11.606 5.324 -17.522 1.00 0.00 O ATOM 731 CB TYR A 47 9.678 3.056 -18.933 1.00 0.00 C ATOM 732 CG TYR A 47 8.666 3.755 -17.989 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.145 3.098 -16.864 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.224 5.064 -18.230 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.239 3.718 -16.026 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.315 5.681 -17.391 1.00 0.00 C ATOM 737 CZ TYR A 47 6.824 5.006 -16.293 1.00 0.00 C ATOM 738 OH TYR A 47 5.911 5.621 -15.460 1.00 0.00 O ATOM 0 H TYR A 47 10.570 2.415 -16.683 1.00 0.00 H new ATOM 0 HA TYR A 47 11.761 2.639 -19.276 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.545 3.456 -19.938 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.432 1.995 -18.977 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.459 2.087 -16.649 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.601 5.601 -19.088 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.856 3.195 -15.162 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.990 6.690 -17.595 1.00 0.00 H new ATOM 0 HH TYR A 47 5.726 6.526 -15.789 1.00 0.00 H new ATOM 748 N PRO A 48 12.072 5.248 -19.760 1.00 0.00 N ATOM 749 CA PRO A 48 12.682 6.607 -19.854 1.00 0.00 C ATOM 750 C PRO A 48 11.857 7.709 -19.123 1.00 0.00 C ATOM 751 O PRO A 48 10.769 8.079 -19.588 1.00 0.00 O ATOM 752 CB PRO A 48 12.779 6.871 -21.392 1.00 0.00 C ATOM 753 CG PRO A 48 11.903 5.819 -22.016 1.00 0.00 C ATOM 754 CD PRO A 48 12.002 4.622 -21.101 1.00 0.00 C ATOM 0 HA PRO A 48 13.650 6.645 -19.355 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.434 7.874 -21.644 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.807 6.790 -21.744 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.873 6.165 -22.101 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.240 5.573 -23.023 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.138 3.965 -21.197 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.885 4.020 -21.314 1.00 0.00 H new ATOM 762 N PRO A 49 12.349 8.208 -17.930 1.00 0.00 N ATOM 763 CA PRO A 49 11.670 9.279 -17.178 1.00 0.00 C ATOM 764 C PRO A 49 11.869 10.653 -17.842 1.00 0.00 C ATOM 765 O PRO A 49 12.850 10.879 -18.565 1.00 0.00 O ATOM 766 CB PRO A 49 12.350 9.216 -15.783 1.00 0.00 C ATOM 767 CG PRO A 49 13.736 8.722 -16.067 1.00 0.00 C ATOM 768 CD PRO A 49 13.593 7.754 -17.225 1.00 0.00 C ATOM 0 HA PRO A 49 10.589 9.147 -17.132 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.367 10.195 -15.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.818 8.542 -15.111 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.401 9.546 -16.325 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.163 8.229 -15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.460 7.790 -17.884 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.501 6.726 -16.876 1.00 0.00 H new ATOM 776 N GLU A 50 10.938 11.568 -17.573 1.00 0.00 N ATOM 777 CA GLU A 50 10.971 12.946 -18.096 1.00 0.00 C ATOM 778 C GLU A 50 11.737 13.886 -17.131 1.00 0.00 C ATOM 779 O GLU A 50 11.724 15.108 -17.329 1.00 0.00 O ATOM 780 CB GLU A 50 9.507 13.429 -18.285 1.00 0.00 C ATOM 781 CG GLU A 50 8.661 12.537 -19.226 1.00 0.00 C ATOM 782 CD GLU A 50 7.176 12.934 -19.261 1.00 0.00 C ATOM 783 OE1 GLU A 50 6.401 12.459 -18.400 1.00 0.00 O ATOM 784 OE2 GLU A 50 6.785 13.749 -20.124 1.00 0.00 O ATOM 0 H GLU A 50 10.129 11.378 -16.981 1.00 0.00 H new ATOM 0 HA GLU A 50 11.496 12.965 -19.051 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.022 13.472 -17.310 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.520 14.445 -18.680 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.070 12.594 -20.235 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.746 11.499 -18.906 1.00 0.00 H new ATOM 791 N CYS A 51 12.432 13.288 -16.120 1.00 0.00 N ATOM 792 CA CYS A 51 12.995 14.000 -14.965 1.00 0.00 C ATOM 793 C CYS A 51 11.882 14.791 -14.256 1.00 0.00 C ATOM 794 O CYS A 51 11.707 15.995 -14.474 1.00 0.00 O ATOM 795 CB CYS A 51 14.212 14.877 -15.358 1.00 0.00 C ATOM 796 SG CYS A 51 15.644 13.905 -15.881 1.00 0.00 S ATOM 0 H CYS A 51 12.612 12.284 -16.097 1.00 0.00 H new ATOM 0 HA CYS A 51 13.389 13.272 -14.256 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.922 15.550 -16.165 1.00 0.00 H new ATOM 0 HB3 CYS A 51 14.493 15.500 -14.509 1.00 0.00 H new ATOM 0 HG CYS A 51 16.620 14.704 -16.196 1.00 0.00 H new ATOM 802 N LEU A 52 11.100 14.049 -13.451 1.00 0.00 N ATOM 803 CA LEU A 52 9.884 14.549 -12.787 1.00 0.00 C ATOM 804 C LEU A 52 10.188 15.739 -11.860 1.00 0.00 C ATOM 805 O LEU A 52 11.195 15.722 -11.135 1.00 0.00 O ATOM 806 CB LEU A 52 9.236 13.396 -11.976 1.00 0.00 C ATOM 807 CG LEU A 52 8.893 12.108 -12.787 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.411 10.972 -11.855 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.866 12.407 -13.910 1.00 0.00 C ATOM 0 H LEU A 52 11.299 13.071 -13.241 1.00 0.00 H new ATOM 0 HA LEU A 52 9.195 14.901 -13.555 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.911 13.123 -11.165 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.320 13.769 -11.517 1.00 0.00 H new ATOM 0 HG LEU A 52 9.807 11.764 -13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.180 10.088 -12.449 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.196 10.732 -11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.517 11.294 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.648 11.490 -14.457 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.947 12.794 -13.469 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.280 13.147 -14.594 1.00 0.00 H new ATOM 821 N ASP A 53 9.314 16.759 -11.885 1.00 0.00 N ATOM 822 CA ASP A 53 9.462 17.955 -11.053 1.00 0.00 C ATOM 823 C ASP A 53 8.903 17.667 -9.651 1.00 0.00 C ATOM 824 O ASP A 53 7.683 17.616 -9.451 1.00 0.00 O ATOM 825 CB ASP A 53 8.764 19.186 -11.705 1.00 0.00 C ATOM 826 CG ASP A 53 8.869 20.468 -10.847 1.00 0.00 C ATOM 827 OD1 ASP A 53 10.004 20.947 -10.616 1.00 0.00 O ATOM 828 OD2 ASP A 53 7.830 20.979 -10.371 1.00 0.00 O ATOM 0 H ASP A 53 8.488 16.773 -12.483 1.00 0.00 H new ATOM 0 HA ASP A 53 10.520 18.203 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.209 19.373 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.712 18.953 -11.873 1.00 0.00 H new ATOM 833 N LEU A 54 9.814 17.389 -8.712 1.00 0.00 N ATOM 834 CA LEU A 54 9.492 17.239 -7.288 1.00 0.00 C ATOM 835 C LEU A 54 9.811 18.572 -6.586 1.00 0.00 C ATOM 836 O LEU A 54 10.944 18.798 -6.144 1.00 0.00 O ATOM 837 CB LEU A 54 10.281 16.044 -6.655 1.00 0.00 C ATOM 838 CG LEU A 54 9.823 14.594 -7.069 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.195 14.232 -8.518 1.00 0.00 C ATOM 840 CD2 LEU A 54 10.359 13.532 -6.099 1.00 0.00 C ATOM 0 H LEU A 54 10.804 17.261 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 54 8.434 17.007 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.334 16.155 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.210 16.126 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 54 8.735 14.603 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.852 13.222 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.720 14.935 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.277 14.283 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.022 12.545 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.449 13.560 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.987 13.736 -5.095 1.00 0.00 H new ATOM 852 N SER A 55 8.814 19.479 -6.551 1.00 0.00 N ATOM 853 CA SER A 55 8.968 20.842 -5.990 1.00 0.00 C ATOM 854 C SER A 55 7.886 21.139 -4.929 1.00 0.00 C ATOM 855 O SER A 55 8.207 21.565 -3.811 1.00 0.00 O ATOM 856 CB SER A 55 8.914 21.884 -7.131 1.00 0.00 C ATOM 857 OG SER A 55 9.108 23.205 -6.650 1.00 0.00 O ATOM 0 H SER A 55 7.878 19.290 -6.910 1.00 0.00 H new ATOM 0 HA SER A 55 9.937 20.904 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.679 21.651 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.950 21.819 -7.637 1.00 0.00 H new ATOM 0 HG SER A 55 9.069 23.835 -7.400 1.00 0.00 H new ATOM 863 N ASP A 56 6.611 20.908 -5.290 1.00 0.00 N ATOM 864 CA ASP A 56 5.456 21.178 -4.403 1.00 0.00 C ATOM 865 C ASP A 56 5.336 20.098 -3.313 1.00 0.00 C ATOM 866 O ASP A 56 5.217 18.931 -3.632 1.00 0.00 O ATOM 867 CB ASP A 56 4.150 21.256 -5.243 1.00 0.00 C ATOM 868 CG ASP A 56 2.884 21.399 -4.377 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.734 22.425 -3.692 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.056 20.475 -4.340 1.00 0.00 O ATOM 0 H ASP A 56 6.349 20.530 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 56 5.615 22.136 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.214 22.103 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.065 20.359 -5.856 1.00 0.00 H new ATOM 875 N ARG A 57 5.346 20.512 -2.034 1.00 0.00 N ATOM 876 CA ARG A 57 5.263 19.592 -0.860 1.00 0.00 C ATOM 877 C ARG A 57 4.030 18.646 -0.903 1.00 0.00 C ATOM 878 O ARG A 57 4.083 17.515 -0.403 1.00 0.00 O ATOM 879 CB ARG A 57 5.241 20.408 0.480 1.00 0.00 C ATOM 880 CG ARG A 57 3.926 21.202 0.789 1.00 0.00 C ATOM 881 CD ARG A 57 3.643 22.366 -0.183 1.00 0.00 C ATOM 882 NE ARG A 57 4.665 23.418 -0.091 1.00 0.00 N ATOM 883 CZ ARG A 57 4.940 24.324 -1.040 1.00 0.00 C ATOM 884 NH1 ARG A 57 4.317 24.300 -2.206 1.00 0.00 N ATOM 885 NH2 ARG A 57 5.859 25.252 -0.819 1.00 0.00 N ATOM 0 H ARG A 57 5.412 21.496 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 57 6.154 18.966 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.425 19.718 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.071 21.114 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.084 20.511 0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.984 21.597 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.605 21.985 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.664 22.791 0.036 1.00 0.00 H new ATOM 0 HE ARG A 57 5.212 23.463 0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.615 23.584 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.538 24.997 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.356 25.276 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.070 25.942 -1.539 1.00 0.00 H new ATOM 899 N ASP A 58 2.942 19.119 -1.532 1.00 0.00 N ATOM 900 CA ASP A 58 1.622 18.466 -1.483 1.00 0.00 C ATOM 901 C ASP A 58 1.431 17.456 -2.630 1.00 0.00 C ATOM 902 O ASP A 58 0.584 16.564 -2.517 1.00 0.00 O ATOM 903 CB ASP A 58 0.525 19.566 -1.512 1.00 0.00 C ATOM 904 CG ASP A 58 -0.897 19.029 -1.298 1.00 0.00 C ATOM 905 OD1 ASP A 58 -1.218 18.616 -0.164 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.693 19.001 -2.255 1.00 0.00 O ATOM 0 H ASP A 58 2.953 19.971 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 58 1.546 17.892 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.744 20.305 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.568 20.083 -2.471 1.00 0.00 H new ATOM 911 N ILE A 59 2.237 17.587 -3.714 1.00 0.00 N ATOM 912 CA ILE A 59 2.084 16.772 -4.940 1.00 0.00 C ATOM 913 C ILE A 59 2.216 15.255 -4.614 1.00 0.00 C ATOM 914 O ILE A 59 3.217 14.803 -4.051 1.00 0.00 O ATOM 915 CB ILE A 59 3.090 17.238 -6.084 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.661 16.662 -7.462 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.565 16.864 -5.790 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.522 17.077 -8.648 1.00 0.00 C ATOM 0 H ILE A 59 3.005 18.256 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 59 1.080 16.933 -5.332 1.00 0.00 H new ATOM 0 HB ILE A 59 3.037 18.326 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.664 15.574 -7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.633 16.967 -7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.198 17.210 -6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.882 17.337 -4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.654 15.782 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.134 16.619 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.501 18.162 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.548 16.748 -8.486 1.00 0.00 H new ATOM 930 N THR A 60 1.153 14.488 -4.915 1.00 0.00 N ATOM 931 CA THR A 60 1.029 13.081 -4.489 1.00 0.00 C ATOM 932 C THR A 60 1.562 12.103 -5.547 1.00 0.00 C ATOM 933 O THR A 60 1.965 12.509 -6.649 1.00 0.00 O ATOM 934 CB THR A 60 -0.464 12.737 -4.143 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.318 13.002 -5.274 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.968 13.522 -2.914 1.00 0.00 C ATOM 0 H THR A 60 0.358 14.824 -5.458 1.00 0.00 H new ATOM 0 HA THR A 60 1.642 12.965 -3.595 1.00 0.00 H new ATOM 0 HB THR A 60 -0.501 11.675 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.827 13.531 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.005 13.253 -2.711 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.353 13.277 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.903 14.592 -3.114 1.00 0.00 H new ATOM 944 N LEU A 61 1.530 10.798 -5.196 1.00 0.00 N ATOM 945 CA LEU A 61 1.921 9.691 -6.096 1.00 0.00 C ATOM 946 C LEU A 61 0.912 9.525 -7.256 1.00 0.00 C ATOM 947 O LEU A 61 1.190 8.826 -8.224 1.00 0.00 O ATOM 948 CB LEU A 61 2.021 8.348 -5.311 1.00 0.00 C ATOM 949 CG LEU A 61 2.881 8.360 -4.007 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.969 6.950 -3.379 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.286 8.961 -4.239 1.00 0.00 C ATOM 0 H LEU A 61 1.230 10.482 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 61 2.897 9.944 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.011 8.031 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.430 7.592 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 61 2.371 9.011 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.574 6.992 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.967 6.599 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.428 6.263 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.846 8.948 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.815 8.371 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.189 9.989 -4.589 1.00 0.00 H new ATOM 963 N GLY A 62 -0.283 10.139 -7.116 1.00 0.00 N ATOM 964 CA GLY A 62 -1.272 10.185 -8.198 1.00 0.00 C ATOM 965 C GLY A 62 -0.840 11.106 -9.339 1.00 0.00 C ATOM 966 O GLY A 62 -1.305 10.960 -10.472 1.00 0.00 O ATOM 0 H GLY A 62 -0.580 10.608 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.430 9.179 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.227 10.527 -7.800 1.00 0.00 H new ATOM 970 N ASP A 63 0.053 12.065 -9.026 1.00 0.00 N ATOM 971 CA ASP A 63 0.603 13.024 -10.004 1.00 0.00 C ATOM 972 C ASP A 63 1.958 12.519 -10.518 1.00 0.00 C ATOM 973 O ASP A 63 2.158 12.363 -11.728 1.00 0.00 O ATOM 974 CB ASP A 63 0.781 14.418 -9.355 1.00 0.00 C ATOM 975 CG ASP A 63 -0.492 14.943 -8.685 1.00 0.00 C ATOM 976 OD1 ASP A 63 -1.401 15.393 -9.404 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.594 14.904 -7.436 1.00 0.00 O ATOM 0 H ASP A 63 0.415 12.197 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.094 13.111 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.578 14.366 -8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.101 15.128 -10.118 1.00 0.00 H new ATOM 982 N LEU A 64 2.879 12.290 -9.571 1.00 0.00 N ATOM 983 CA LEU A 64 4.220 11.742 -9.840 1.00 0.00 C ATOM 984 C LEU A 64 4.101 10.223 -10.129 1.00 0.00 C ATOM 985 O LEU A 64 3.610 9.509 -9.261 1.00 0.00 O ATOM 986 CB LEU A 64 5.142 11.966 -8.604 1.00 0.00 C ATOM 987 CG LEU A 64 5.321 13.436 -8.107 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.984 13.466 -6.702 1.00 0.00 C ATOM 989 CD2 LEU A 64 6.124 14.281 -9.136 1.00 0.00 C ATOM 0 H LEU A 64 2.713 12.482 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 64 4.652 12.249 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.749 11.375 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.128 11.566 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 64 4.333 13.887 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.099 14.500 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.355 12.929 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.963 12.990 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.233 15.300 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.110 13.839 -9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.592 14.297 -10.087 1.00 0.00 H new ATOM 1001 N PRO A 65 4.482 9.721 -11.355 1.00 0.00 N ATOM 1002 CA PRO A 65 4.494 8.262 -11.685 1.00 0.00 C ATOM 1003 C PRO A 65 5.294 7.369 -10.683 1.00 0.00 C ATOM 1004 O PRO A 65 6.484 7.079 -10.875 1.00 0.00 O ATOM 1005 CB PRO A 65 5.106 8.222 -13.112 1.00 0.00 C ATOM 1006 CG PRO A 65 4.760 9.560 -13.697 1.00 0.00 C ATOM 1007 CD PRO A 65 4.848 10.538 -12.544 1.00 0.00 C ATOM 0 HA PRO A 65 3.491 7.840 -11.621 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.185 8.068 -13.079 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.686 7.408 -13.703 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.451 9.830 -14.495 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.760 9.553 -14.130 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.851 10.955 -12.449 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.165 11.377 -12.678 1.00 0.00 H new ATOM 1015 N ILE A 66 4.613 7.000 -9.586 1.00 0.00 N ATOM 1016 CA ILE A 66 5.021 5.938 -8.651 1.00 0.00 C ATOM 1017 C ILE A 66 3.891 4.901 -8.677 1.00 0.00 C ATOM 1018 O ILE A 66 2.718 5.261 -8.504 1.00 0.00 O ATOM 1019 CB ILE A 66 5.226 6.445 -7.155 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.484 7.381 -6.987 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.316 5.260 -6.146 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.338 8.798 -7.509 1.00 0.00 C ATOM 0 H ILE A 66 3.736 7.446 -9.317 1.00 0.00 H new ATOM 0 HA ILE A 66 5.987 5.541 -8.965 1.00 0.00 H new ATOM 0 HB ILE A 66 4.339 7.037 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.736 7.430 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.329 6.914 -7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.456 5.650 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.395 4.678 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.160 4.622 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.265 9.346 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.123 8.772 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.521 9.296 -6.987 1.00 0.00 H new ATOM 1034 N GLN A 67 4.228 3.631 -8.915 1.00 0.00 N ATOM 1035 CA GLN A 67 3.241 2.532 -8.935 1.00 0.00 C ATOM 1036 C GLN A 67 3.492 1.590 -7.752 1.00 0.00 C ATOM 1037 O GLN A 67 4.578 1.603 -7.167 1.00 0.00 O ATOM 1038 CB GLN A 67 3.306 1.782 -10.291 1.00 0.00 C ATOM 1039 CG GLN A 67 3.103 2.702 -11.521 1.00 0.00 C ATOM 1040 CD GLN A 67 2.875 1.958 -12.849 1.00 0.00 C ATOM 1041 OE1 GLN A 67 2.215 0.804 -12.804 1.00 0.00 O flip ATOM 1042 NE2 GLN A 67 3.256 2.439 -13.917 1.00 0.00 N flip ATOM 0 H GLN A 67 5.185 3.330 -9.099 1.00 0.00 H new ATOM 0 HA GLN A 67 2.235 2.940 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.272 1.285 -10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.545 1.002 -10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.249 3.353 -11.334 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.977 3.345 -11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.760 3.326 -13.926 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.067 1.951 -14.792 1.00 0.00 H new ATOM 1051 N SER A 68 2.478 0.786 -7.396 1.00 0.00 N ATOM 1052 CA SER A 68 2.568 -0.171 -6.284 1.00 0.00 C ATOM 1053 C SER A 68 3.565 -1.299 -6.632 1.00 0.00 C ATOM 1054 O SER A 68 3.323 -2.084 -7.555 1.00 0.00 O ATOM 1055 CB SER A 68 1.156 -0.725 -5.963 1.00 0.00 C ATOM 1056 OG SER A 68 0.527 -1.238 -7.128 1.00 0.00 O ATOM 0 H SER A 68 1.575 0.781 -7.870 1.00 0.00 H new ATOM 0 HA SER A 68 2.944 0.331 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.233 -1.512 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.541 0.066 -5.533 1.00 0.00 H new ATOM 0 HG SER A 68 1.175 -1.760 -7.647 1.00 0.00 H new ATOM 1062 N GLY A 69 4.707 -1.332 -5.910 1.00 0.00 N ATOM 1063 CA GLY A 69 5.757 -2.337 -6.132 1.00 0.00 C ATOM 1064 C GLY A 69 6.683 -1.992 -7.296 1.00 0.00 C ATOM 1065 O GLY A 69 7.337 -2.878 -7.856 1.00 0.00 O ATOM 0 H GLY A 69 4.921 -0.668 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.350 -2.441 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.291 -3.304 -6.321 1.00 0.00 H new ATOM 1069 N ASP A 70 6.753 -0.691 -7.635 1.00 0.00 N ATOM 1070 CA ASP A 70 7.524 -0.183 -8.793 1.00 0.00 C ATOM 1071 C ASP A 70 9.016 0.002 -8.442 1.00 0.00 C ATOM 1072 O ASP A 70 9.402 -0.022 -7.265 1.00 0.00 O ATOM 1073 CB ASP A 70 6.904 1.164 -9.275 1.00 0.00 C ATOM 1074 CG ASP A 70 7.442 1.664 -10.624 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.473 0.857 -11.571 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.828 2.850 -10.747 1.00 0.00 O ATOM 0 H ASP A 70 6.275 0.043 -7.113 1.00 0.00 H new ATOM 0 HA ASP A 70 7.469 -0.918 -9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.823 1.046 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.090 1.927 -8.519 1.00 0.00 H new ATOM 1081 N MET A 71 9.842 0.180 -9.489 1.00 0.00 N ATOM 1082 CA MET A 71 11.279 0.439 -9.361 1.00 0.00 C ATOM 1083 C MET A 71 11.545 1.949 -9.501 1.00 0.00 C ATOM 1084 O MET A 71 11.490 2.507 -10.611 1.00 0.00 O ATOM 1085 CB MET A 71 12.080 -0.364 -10.430 1.00 0.00 C ATOM 1086 CG MET A 71 13.629 -0.239 -10.341 1.00 0.00 C ATOM 1087 SD MET A 71 14.416 -1.421 -9.204 1.00 0.00 S ATOM 1088 CE MET A 71 13.950 -0.839 -7.574 1.00 0.00 C ATOM 0 H MET A 71 9.522 0.147 -10.457 1.00 0.00 H new ATOM 0 HA MET A 71 11.613 0.110 -8.377 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.812 -1.417 -10.344 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.763 -0.035 -11.419 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.050 -0.377 -11.337 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.882 0.773 -10.025 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.838 -0.766 -6.946 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.483 0.143 -7.658 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.245 -1.539 -7.126 1.00 0.00 H new ATOM 1098 N LEU A 72 11.798 2.603 -8.358 1.00 0.00 N ATOM 1099 CA LEU A 72 12.120 4.041 -8.304 1.00 0.00 C ATOM 1100 C LEU A 72 13.639 4.219 -8.196 1.00 0.00 C ATOM 1101 O LEU A 72 14.219 3.972 -7.137 1.00 0.00 O ATOM 1102 CB LEU A 72 11.431 4.726 -7.092 1.00 0.00 C ATOM 1103 CG LEU A 72 9.883 4.573 -6.993 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.325 5.349 -5.773 1.00 0.00 C ATOM 1105 CD2 LEU A 72 9.175 4.987 -8.311 1.00 0.00 C ATOM 0 H LEU A 72 11.786 2.152 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 72 11.751 4.510 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.872 4.327 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.667 5.790 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 72 9.667 3.516 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.243 5.226 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.774 4.961 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.566 6.407 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.098 4.865 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.401 6.030 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.528 4.357 -9.127 1.00 0.00 H new ATOM 1117 N ILE A 73 14.279 4.604 -9.306 1.00 0.00 N ATOM 1118 CA ILE A 73 15.702 4.966 -9.328 1.00 0.00 C ATOM 1119 C ILE A 73 15.877 6.319 -8.589 1.00 0.00 C ATOM 1120 O ILE A 73 15.667 7.406 -9.153 1.00 0.00 O ATOM 1121 CB ILE A 73 16.315 5.030 -10.796 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.276 3.626 -11.527 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.773 5.575 -10.763 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.897 3.132 -11.960 1.00 0.00 C ATOM 0 H ILE A 73 13.824 4.674 -10.216 1.00 0.00 H new ATOM 0 HA ILE A 73 16.259 4.179 -8.819 1.00 0.00 H new ATOM 0 HB ILE A 73 15.689 5.715 -11.368 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.913 3.681 -12.409 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.714 2.881 -10.863 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.171 5.610 -11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.777 6.578 -10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.393 4.919 -10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.995 2.163 -12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.254 3.034 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.457 3.846 -12.656 1.00 0.00 H new ATOM 1136 N VAL A 74 16.148 6.197 -7.285 1.00 0.00 N ATOM 1137 CA VAL A 74 16.518 7.302 -6.405 1.00 0.00 C ATOM 1138 C VAL A 74 18.024 7.580 -6.574 1.00 0.00 C ATOM 1139 O VAL A 74 18.869 6.760 -6.185 1.00 0.00 O ATOM 1140 CB VAL A 74 16.169 6.938 -4.905 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.704 7.988 -3.903 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.637 6.737 -4.738 1.00 0.00 C ATOM 0 H VAL A 74 16.114 5.299 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 74 15.958 8.199 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 74 16.674 6.000 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.438 7.691 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.789 8.054 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.263 8.960 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.414 6.487 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.118 7.656 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.304 5.927 -5.386 1.00 0.00 H new ATOM 1152 N GLU A 75 18.355 8.718 -7.196 1.00 0.00 N ATOM 1153 CA GLU A 75 19.749 9.120 -7.420 1.00 0.00 C ATOM 1154 C GLU A 75 20.356 9.666 -6.114 1.00 0.00 C ATOM 1155 O GLU A 75 19.659 10.265 -5.297 1.00 0.00 O ATOM 1156 CB GLU A 75 19.838 10.171 -8.560 1.00 0.00 C ATOM 1157 CG GLU A 75 19.018 11.462 -8.320 1.00 0.00 C ATOM 1158 CD GLU A 75 19.224 12.507 -9.421 1.00 0.00 C ATOM 1159 OE1 GLU A 75 18.629 12.368 -10.503 1.00 0.00 O ATOM 1160 OE2 GLU A 75 20.028 13.439 -9.233 1.00 0.00 O ATOM 0 H GLU A 75 17.670 9.382 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 75 20.324 8.246 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.884 10.443 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.499 9.710 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.960 11.209 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.299 11.893 -7.359 1.00 0.00 H new ATOM 1167 N GLU A 76 21.651 9.406 -5.916 1.00 0.00 N ATOM 1168 CA GLU A 76 22.402 9.894 -4.750 1.00 0.00 C ATOM 1169 C GLU A 76 23.394 10.961 -5.241 1.00 0.00 C ATOM 1170 O GLU A 76 24.417 10.628 -5.857 1.00 0.00 O ATOM 1171 CB GLU A 76 23.124 8.708 -4.057 1.00 0.00 C ATOM 1172 CG GLU A 76 23.885 9.062 -2.761 1.00 0.00 C ATOM 1173 CD GLU A 76 24.663 7.861 -2.191 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.760 7.565 -2.705 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.171 7.187 -1.257 1.00 0.00 O ATOM 0 H GLU A 76 22.213 8.849 -6.560 1.00 0.00 H new ATOM 0 HA GLU A 76 21.736 10.340 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.386 7.940 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.829 8.271 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.578 9.879 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.177 9.421 -2.014 1.00 0.00 H new ATOM 1182 N ASP A 77 23.041 12.245 -5.016 1.00 0.00 N ATOM 1183 CA ASP A 77 23.858 13.409 -5.439 1.00 0.00 C ATOM 1184 C ASP A 77 25.216 13.427 -4.703 1.00 0.00 C ATOM 1185 O ASP A 77 26.221 13.892 -5.254 1.00 0.00 O ATOM 1186 CB ASP A 77 23.072 14.731 -5.182 1.00 0.00 C ATOM 1187 CG ASP A 77 23.739 15.992 -5.779 1.00 0.00 C ATOM 1188 OD1 ASP A 77 24.597 16.602 -5.110 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.413 16.373 -6.922 1.00 0.00 O ATOM 0 H ASP A 77 22.180 12.507 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 77 24.060 13.323 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 77 22.070 14.632 -5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.957 14.869 -4.107 1.00 0.00 H new ATOM 1194 N GLN A 78 25.208 12.907 -3.449 1.00 0.00 N ATOM 1195 CA GLN A 78 26.401 12.748 -2.571 1.00 0.00 C ATOM 1196 C GLN A 78 26.902 14.095 -2.001 1.00 0.00 C ATOM 1197 O GLN A 78 28.008 14.161 -1.449 1.00 0.00 O ATOM 1198 CB GLN A 78 27.551 11.952 -3.278 1.00 0.00 C ATOM 1199 CG GLN A 78 27.165 10.518 -3.703 1.00 0.00 C ATOM 1200 CD GLN A 78 28.290 9.738 -4.398 1.00 0.00 C ATOM 1201 OE1 GLN A 78 29.143 10.307 -5.068 1.00 0.00 O ATOM 1202 NE2 GLN A 78 28.291 8.423 -4.249 1.00 0.00 N ATOM 0 H GLN A 78 24.350 12.577 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 78 26.075 12.152 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 78 27.871 12.506 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.408 11.901 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.847 9.964 -2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.307 10.569 -4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.569 7.973 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 78 29.013 7.859 -4.697 1.00 0.00 H new ATOM 1211 N THR A 79 26.069 15.157 -2.102 1.00 0.00 N ATOM 1212 CA THR A 79 26.379 16.479 -1.515 1.00 0.00 C ATOM 1213 C THR A 79 26.296 16.424 0.024 1.00 0.00 C ATOM 1214 O THR A 79 27.077 17.073 0.728 1.00 0.00 O ATOM 1215 CB THR A 79 25.436 17.603 -2.072 1.00 0.00 C ATOM 1216 OG1 THR A 79 25.797 18.876 -1.519 1.00 0.00 O ATOM 1217 CG2 THR A 79 23.940 17.342 -1.801 1.00 0.00 C ATOM 0 H THR A 79 25.173 15.122 -2.588 1.00 0.00 H new ATOM 0 HA THR A 79 27.399 16.731 -1.806 1.00 0.00 H new ATOM 0 HB THR A 79 25.574 17.600 -3.153 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.202 19.568 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.348 18.159 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 79 23.643 16.405 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.771 17.278 -0.726 1.00 0.00 H new ATOM 1225 N ARG A 80 25.337 15.619 0.525 1.00 0.00 N ATOM 1226 CA ARG A 80 25.130 15.380 1.964 1.00 0.00 C ATOM 1227 C ARG A 80 25.380 13.888 2.261 1.00 0.00 C ATOM 1228 O ARG A 80 25.204 13.054 1.358 1.00 0.00 O ATOM 1229 CB ARG A 80 23.685 15.790 2.382 1.00 0.00 C ATOM 1230 CG ARG A 80 23.340 17.275 2.127 1.00 0.00 C ATOM 1231 CD ARG A 80 21.996 17.690 2.749 1.00 0.00 C ATOM 1232 NE ARG A 80 22.026 17.603 4.222 1.00 0.00 N ATOM 1233 CZ ARG A 80 20.984 17.815 5.040 1.00 0.00 C ATOM 1234 NH1 ARG A 80 19.775 18.071 4.553 1.00 0.00 N ATOM 1235 NH2 ARG A 80 21.162 17.766 6.354 1.00 0.00 N ATOM 0 H ARG A 80 24.678 15.112 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 80 25.828 15.987 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.973 15.167 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 80 23.553 15.577 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.133 17.903 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.310 17.457 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.756 18.710 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 80 21.203 17.050 2.363 1.00 0.00 H new ATOM 0 HE ARG A 80 22.917 17.361 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 80 19.629 18.109 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.993 18.230 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 80 22.087 17.568 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.374 17.926 6.982 1.00 0.00 H new ATOM 1249 N PRO A 81 25.798 13.510 3.512 1.00 0.00 N ATOM 1250 CA PRO A 81 26.010 12.092 3.873 1.00 0.00 C ATOM 1251 C PRO A 81 24.680 11.316 3.966 1.00 0.00 C ATOM 1252 O PRO A 81 23.613 11.898 4.239 1.00 0.00 O ATOM 1253 CB PRO A 81 26.723 12.170 5.248 1.00 0.00 C ATOM 1254 CG PRO A 81 26.239 13.457 5.838 1.00 0.00 C ATOM 1255 CD PRO A 81 26.104 14.413 4.667 1.00 0.00 C ATOM 0 HA PRO A 81 26.591 11.553 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 81 26.465 11.320 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.807 12.166 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 81 25.284 13.321 6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 81 26.943 13.839 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 81 25.307 15.139 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 81 27.021 14.978 4.503 1.00 0.00 H new ATOM 1263 N LYS A 82 24.764 10.004 3.706 1.00 0.00 N ATOM 1264 CA LYS A 82 23.647 9.069 3.882 1.00 0.00 C ATOM 1265 C LYS A 82 23.315 8.983 5.389 1.00 0.00 C ATOM 1266 O LYS A 82 24.157 8.557 6.189 1.00 0.00 O ATOM 1267 CB LYS A 82 24.038 7.679 3.269 1.00 0.00 C ATOM 1268 CG LYS A 82 22.926 6.581 3.254 1.00 0.00 C ATOM 1269 CD LYS A 82 22.728 5.830 4.597 1.00 0.00 C ATOM 1270 CE LYS A 82 24.013 5.136 5.102 1.00 0.00 C ATOM 1271 NZ LYS A 82 23.800 4.459 6.409 1.00 0.00 N ATOM 0 H LYS A 82 25.616 9.559 3.365 1.00 0.00 H new ATOM 0 HA LYS A 82 22.753 9.411 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 82 24.370 7.841 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 82 24.892 7.291 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.981 7.046 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 82 23.166 5.852 2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.383 6.536 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.943 5.083 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 82 24.345 4.405 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 82 24.809 5.874 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.685 4.006 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.508 5.160 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.058 3.737 6.309 1.00 0.00 H new ATOM 1285 N ALA A 83 22.101 9.408 5.764 1.00 0.00 N ATOM 1286 CA ALA A 83 21.648 9.436 7.168 1.00 0.00 C ATOM 1287 C ALA A 83 20.119 9.363 7.233 1.00 0.00 C ATOM 1288 O ALA A 83 19.436 9.740 6.283 1.00 0.00 O ATOM 1289 CB ALA A 83 22.168 10.704 7.880 1.00 0.00 C ATOM 0 H ALA A 83 21.401 9.744 5.103 1.00 0.00 H new ATOM 0 HA ALA A 83 22.056 8.567 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 83 21.824 10.707 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 83 23.258 10.711 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 83 21.790 11.589 7.369 1.00 0.00 H new ATOM 1295 N SER A 84 19.592 8.876 8.362 1.00 0.00 N ATOM 1296 CA SER A 84 18.148 8.782 8.614 1.00 0.00 C ATOM 1297 C SER A 84 17.799 9.669 9.836 1.00 0.00 C ATOM 1298 O SER A 84 18.045 9.262 10.973 1.00 0.00 O ATOM 1299 CB SER A 84 17.754 7.304 8.854 1.00 0.00 C ATOM 1300 OG SER A 84 16.369 7.166 9.087 1.00 0.00 O ATOM 0 H SER A 84 20.161 8.532 9.135 1.00 0.00 H new ATOM 0 HA SER A 84 17.585 9.138 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.039 6.706 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.308 6.913 9.708 1.00 0.00 H new ATOM 0 HG SER A 84 16.148 7.530 9.970 1.00 0.00 H new ATOM 1306 N PRO A 85 17.270 10.921 9.618 1.00 0.00 N ATOM 1307 CA PRO A 85 16.893 11.834 10.734 1.00 0.00 C ATOM 1308 C PRO A 85 15.613 11.372 11.470 1.00 0.00 C ATOM 1309 O PRO A 85 15.391 11.733 12.634 1.00 0.00 O ATOM 1310 CB PRO A 85 16.691 13.195 10.015 1.00 0.00 C ATOM 1311 CG PRO A 85 16.271 12.826 8.624 1.00 0.00 C ATOM 1312 CD PRO A 85 17.022 11.553 8.284 1.00 0.00 C ATOM 0 HA PRO A 85 17.646 11.871 11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 85 15.931 13.798 10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 85 17.610 13.781 10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.194 12.669 8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 85 16.513 13.622 7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 85 16.435 10.903 7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 85 17.955 11.766 7.762 1.00 0.00 H new ATOM 1320 N SER A 86 14.786 10.573 10.771 1.00 0.00 N ATOM 1321 CA SER A 86 13.548 9.999 11.307 1.00 0.00 C ATOM 1322 C SER A 86 13.850 8.599 11.910 1.00 0.00 C ATOM 1323 O SER A 86 13.669 8.398 13.127 1.00 0.00 O ATOM 1324 CB SER A 86 12.491 9.903 10.177 1.00 0.00 C ATOM 1325 OG SER A 86 12.327 11.155 9.525 1.00 0.00 O ATOM 1326 OXT SER A 86 14.328 7.720 11.162 1.00 0.00 O ATOM 0 H SER A 86 14.966 10.307 9.803 1.00 0.00 H new ATOM 0 HA SER A 86 13.149 10.637 12.096 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.796 9.149 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.537 9.578 10.593 1.00 0.00 H new ATOM 0 HG SER A 86 11.657 11.069 8.815 1.00 0.00 H new TER 1332 SER A 86