USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 61 GLN :FLIP amide:sc= -0.104 F(o=-15,f=-13) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -12.7! C(o=-13!,f=-17!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 THR OG1 : rot 160:sc= -0.119 USER MOD Set 3.1: A 27 ASN : amide:sc= -8.71! C(o=-8.7!,f=-19!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 106:sc= 0.107 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 13 MET CE :methyl 177:sc= -2.35! (180deg=-2.54!) USER MOD Single : A 17 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.148 USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -0.459 (180deg=-1.05) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -170:sc= -6.89! (180deg=-7.3!) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.109 (180deg=-0.559) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -1.08 (180deg=-1.98!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -131:sc= -1.33 (180deg=-2.96!) USER MOD Single : A 69 ASN : amide:sc= -1.76 K(o=-1.8,f=-6.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -10.614 -13.707 7.966 1.00 0.00 N ATOM 2 CA SER A 2 -10.293 -14.703 8.982 1.00 0.00 C ATOM 3 C SER A 2 -11.554 -15.179 9.696 1.00 0.00 C ATOM 4 O SER A 2 -12.585 -14.508 9.667 1.00 0.00 O ATOM 5 CB SER A 2 -9.304 -14.126 9.997 1.00 0.00 C ATOM 6 OG SER A 2 -9.929 -13.161 10.825 1.00 0.00 O ATOM 0 HA SER A 2 -9.835 -15.558 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.898 -14.930 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.464 -13.671 9.473 1.00 0.00 H new ATOM 0 HG SER A 2 -10.079 -13.542 11.715 1.00 0.00 H new ATOM 12 N HIS A 3 -11.463 -16.341 10.334 1.00 0.00 N ATOM 13 CA HIS A 3 -12.597 -16.907 11.055 1.00 0.00 C ATOM 14 C HIS A 3 -12.664 -16.361 12.478 1.00 0.00 C ATOM 15 O HIS A 3 -13.677 -15.795 12.888 1.00 0.00 O ATOM 16 CB HIS A 3 -12.499 -18.433 11.086 1.00 0.00 C ATOM 17 CG HIS A 3 -13.828 -19.120 11.042 1.00 0.00 C ATOM 18 ND1 HIS A 3 -14.351 -19.816 12.112 1.00 0.00 N ATOM 19 CD2 HIS A 3 -14.745 -19.214 10.050 1.00 0.00 C ATOM 20 CE1 HIS A 3 -15.531 -20.310 11.780 1.00 0.00 C ATOM 21 NE2 HIS A 3 -15.793 -19.958 10.534 1.00 0.00 N ATOM 0 H HIS A 3 -10.616 -16.909 10.366 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.509 -16.619 10.531 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.898 -18.767 10.240 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.972 -18.737 11.991 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.667 -18.784 9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.172 -20.901 12.418 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.637 -20.200 10.015 1.00 0.00 H new ATOM 30 N MET A 4 -11.579 -16.535 13.224 1.00 0.00 N ATOM 31 CA MET A 4 -11.515 -16.059 14.601 1.00 0.00 C ATOM 32 C MET A 4 -11.043 -14.608 14.655 1.00 0.00 C ATOM 33 O MET A 4 -10.514 -14.082 13.677 1.00 0.00 O ATOM 34 CB MET A 4 -10.577 -16.944 15.425 1.00 0.00 C ATOM 35 CG MET A 4 -9.132 -16.903 14.953 1.00 0.00 C ATOM 36 SD MET A 4 -8.708 -18.298 13.893 1.00 0.00 S ATOM 37 CE MET A 4 -7.061 -17.833 13.366 1.00 0.00 C ATOM 0 H MET A 4 -10.732 -17.002 12.899 1.00 0.00 H new ATOM 0 HA MET A 4 -12.518 -16.111 15.024 1.00 0.00 H new ATOM 0 HB2 MET A 4 -10.619 -16.631 16.468 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.934 -17.973 15.386 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.957 -15.974 14.411 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.471 -16.896 15.820 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.662 -18.599 12.702 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.103 -16.881 12.837 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.414 -17.735 14.238 1.00 0.00 H new ATOM 47 N PRO A 5 -11.229 -13.940 15.807 1.00 0.00 N ATOM 48 CA PRO A 5 -10.819 -12.542 15.985 1.00 0.00 C ATOM 49 C PRO A 5 -9.309 -12.366 15.829 1.00 0.00 C ATOM 50 O PRO A 5 -8.525 -13.081 16.452 1.00 0.00 O ATOM 51 CB PRO A 5 -11.268 -12.209 17.419 1.00 0.00 C ATOM 52 CG PRO A 5 -12.262 -13.260 17.776 1.00 0.00 C ATOM 53 CD PRO A 5 -11.850 -14.490 17.022 1.00 0.00 C ATOM 0 HA PRO A 5 -11.260 -11.885 15.236 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.423 -12.217 18.107 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -11.712 -11.215 17.471 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.267 -13.444 18.850 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.271 -12.953 17.501 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.149 -15.098 17.594 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.704 -15.125 16.787 1.00 0.00 H new ATOM 61 N LYS A 6 -8.907 -11.412 14.989 1.00 0.00 N ATOM 62 CA LYS A 6 -7.497 -11.143 14.744 1.00 0.00 C ATOM 63 C LYS A 6 -6.948 -10.172 15.786 1.00 0.00 C ATOM 64 O LYS A 6 -7.319 -10.234 16.957 1.00 0.00 O ATOM 65 CB LYS A 6 -7.313 -10.589 13.327 1.00 0.00 C ATOM 66 CG LYS A 6 -8.110 -11.339 12.271 1.00 0.00 C ATOM 67 CD LYS A 6 -7.365 -11.395 10.947 1.00 0.00 C ATOM 68 CE LYS A 6 -6.352 -12.529 10.925 1.00 0.00 C ATOM 69 NZ LYS A 6 -5.246 -12.265 9.964 1.00 0.00 N ATOM 0 H LYS A 6 -9.545 -10.812 14.466 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.937 -12.074 14.828 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.608 -9.540 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.255 -10.626 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.314 -12.352 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.074 -10.852 12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.078 -11.526 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.855 -10.447 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.940 -12.667 11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.853 -13.459 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.576 -13.061 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.637 -12.158 9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.751 -11.391 10.236 1.00 0.00 H new ATOM 83 N ARG A 7 -6.065 -9.274 15.361 1.00 0.00 N ATOM 84 CA ARG A 7 -5.480 -8.300 16.277 1.00 0.00 C ATOM 85 C ARG A 7 -5.331 -6.918 15.642 1.00 0.00 C ATOM 86 O ARG A 7 -4.646 -6.049 16.183 1.00 0.00 O ATOM 87 CB ARG A 7 -4.135 -8.797 16.806 1.00 0.00 C ATOM 88 CG ARG A 7 -4.117 -8.979 18.316 1.00 0.00 C ATOM 89 CD ARG A 7 -3.848 -7.665 19.031 1.00 0.00 C ATOM 90 NE ARG A 7 -2.423 -7.345 19.071 1.00 0.00 N ATOM 91 CZ ARG A 7 -1.541 -7.984 19.836 1.00 0.00 C ATOM 92 NH1 ARG A 7 -1.932 -8.977 20.625 1.00 0.00 N ATOM 93 NH2 ARG A 7 -0.263 -7.630 19.812 1.00 0.00 N ATOM 0 H ARG A 7 -5.741 -9.200 14.397 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.172 -8.194 17.113 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.892 -9.747 16.329 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.356 -8.089 16.522 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.073 -9.385 18.646 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.351 -9.706 18.587 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.386 -6.862 18.528 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.236 -7.720 20.048 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.084 -6.587 18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.913 -9.254 20.647 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.251 -9.463 21.209 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.044 -6.868 19.207 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.413 -8.120 20.398 1.00 0.00 H new ATOM 107 N ALA A 8 -6.007 -6.707 14.518 1.00 0.00 N ATOM 108 CA ALA A 8 -5.997 -5.414 13.824 1.00 0.00 C ATOM 109 C ALA A 8 -4.742 -5.160 12.993 1.00 0.00 C ATOM 110 O ALA A 8 -3.764 -5.904 13.051 1.00 0.00 O ATOM 111 CB ALA A 8 -6.212 -4.282 14.809 1.00 0.00 C ATOM 0 H ALA A 8 -6.576 -7.419 14.060 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.823 -5.453 13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.202 -3.330 14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.174 -4.410 15.306 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.415 -4.291 15.553 1.00 0.00 H new ATOM 117 N THR A 9 -4.828 -4.105 12.179 1.00 0.00 N ATOM 118 CA THR A 9 -3.767 -3.705 11.257 1.00 0.00 C ATOM 119 C THR A 9 -3.120 -2.364 11.642 1.00 0.00 C ATOM 120 O THR A 9 -3.816 -1.414 11.990 1.00 0.00 O ATOM 121 CB THR A 9 -4.394 -3.575 9.873 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.561 -4.373 9.773 1.00 0.00 O ATOM 123 CG2 THR A 9 -3.477 -3.979 8.764 1.00 0.00 C ATOM 0 H THR A 9 -5.647 -3.498 12.143 1.00 0.00 H new ATOM 0 HA THR A 9 -2.979 -4.457 11.286 1.00 0.00 H new ATOM 0 HB THR A 9 -4.626 -2.516 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.949 -4.274 8.879 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.988 -3.861 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.587 -3.349 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.186 -5.021 8.894 1.00 0.00 H new ATOM 131 N THR A 10 -1.784 -2.293 11.576 1.00 0.00 N ATOM 132 CA THR A 10 -1.050 -1.076 11.913 1.00 0.00 C ATOM 133 C THR A 10 -1.299 0.012 10.895 1.00 0.00 C ATOM 134 O THR A 10 -1.614 -0.259 9.737 1.00 0.00 O ATOM 135 CB THR A 10 0.451 -1.364 12.009 1.00 0.00 C ATOM 136 OG1 THR A 10 0.721 -2.731 11.754 1.00 0.00 O ATOM 137 CG2 THR A 10 1.036 -1.028 13.364 1.00 0.00 C ATOM 0 H THR A 10 -1.191 -3.072 11.290 1.00 0.00 H new ATOM 0 HA THR A 10 -1.410 -0.730 12.882 1.00 0.00 H new ATOM 0 HB THR A 10 0.915 -0.725 11.258 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.686 -2.892 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.102 -1.255 13.366 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.890 0.032 13.570 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.537 -1.619 14.132 1.00 0.00 H new ATOM 145 N ALA A 11 -1.148 1.253 11.343 1.00 0.00 N ATOM 146 CA ALA A 11 -1.340 2.409 10.489 1.00 0.00 C ATOM 147 C ALA A 11 -0.653 2.164 9.168 1.00 0.00 C ATOM 148 O ALA A 11 -1.199 2.432 8.099 1.00 0.00 O ATOM 149 CB ALA A 11 -0.784 3.657 11.157 1.00 0.00 C ATOM 0 H ALA A 11 -0.891 1.481 12.303 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.405 2.564 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.935 4.517 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.300 3.824 12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.282 3.526 11.343 1.00 0.00 H new ATOM 155 N PHE A 12 0.563 1.655 9.264 1.00 0.00 N ATOM 156 CA PHE A 12 1.375 1.364 8.094 1.00 0.00 C ATOM 157 C PHE A 12 0.818 0.192 7.308 1.00 0.00 C ATOM 158 O PHE A 12 0.986 0.108 6.095 1.00 0.00 O ATOM 159 CB PHE A 12 2.791 1.025 8.532 1.00 0.00 C ATOM 160 CG PHE A 12 3.810 1.208 7.444 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.866 0.320 6.381 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.710 2.260 7.482 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.801 0.477 5.378 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.648 2.422 6.479 1.00 0.00 C ATOM 165 CZ PHE A 12 5.694 1.528 5.427 1.00 0.00 C ATOM 0 H PHE A 12 1.014 1.432 10.151 1.00 0.00 H new ATOM 0 HA PHE A 12 1.369 2.247 7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.061 1.652 9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.819 -0.009 8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.170 -0.504 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.679 2.961 8.303 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.834 -0.222 4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.344 3.247 6.518 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.428 1.651 4.644 1.00 0.00 H new ATOM 175 N MET A 13 0.180 -0.723 8.009 1.00 0.00 N ATOM 176 CA MET A 13 -0.370 -1.892 7.375 1.00 0.00 C ATOM 177 C MET A 13 -1.692 -1.555 6.726 1.00 0.00 C ATOM 178 O MET A 13 -1.838 -1.672 5.512 1.00 0.00 O ATOM 179 CB MET A 13 -0.545 -3.020 8.392 1.00 0.00 C ATOM 180 CG MET A 13 0.762 -3.684 8.794 1.00 0.00 C ATOM 181 SD MET A 13 1.012 -5.278 7.987 1.00 0.00 S ATOM 182 CE MET A 13 0.295 -4.961 6.378 1.00 0.00 C ATOM 0 H MET A 13 0.032 -0.675 9.017 1.00 0.00 H new ATOM 0 HA MET A 13 0.322 -2.231 6.604 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.030 -2.622 9.283 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.213 -3.774 7.975 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.592 -3.022 8.546 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.777 -3.823 9.875 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.422 -5.839 5.744 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.767 -4.744 6.489 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.794 -4.107 5.919 1.00 0.00 H new ATOM 192 N LEU A 14 -2.670 -1.172 7.535 1.00 0.00 N ATOM 193 CA LEU A 14 -3.986 -0.868 7.018 1.00 0.00 C ATOM 194 C LEU A 14 -3.934 0.102 5.845 1.00 0.00 C ATOM 195 O LEU A 14 -4.776 0.040 4.949 1.00 0.00 O ATOM 196 CB LEU A 14 -4.928 -0.424 8.163 1.00 0.00 C ATOM 197 CG LEU A 14 -5.173 1.074 8.455 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.351 1.495 9.643 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.904 2.009 7.290 1.00 0.00 C ATOM 0 H LEU A 14 -2.573 -1.066 8.545 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.414 -1.779 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.901 -0.875 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.547 -0.870 9.081 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.240 1.163 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.524 2.551 9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.639 0.904 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.294 1.335 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.105 3.036 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.862 1.918 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.552 1.745 6.454 1.00 0.00 H new ATOM 211 N TRP A 15 -2.940 0.985 5.831 1.00 0.00 N ATOM 212 CA TRP A 15 -2.809 1.931 4.734 1.00 0.00 C ATOM 213 C TRP A 15 -2.044 1.279 3.608 1.00 0.00 C ATOM 214 O TRP A 15 -2.428 1.367 2.443 1.00 0.00 O ATOM 215 CB TRP A 15 -2.083 3.209 5.154 1.00 0.00 C ATOM 216 CG TRP A 15 -1.229 3.762 4.049 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.583 4.703 3.126 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.116 3.379 3.736 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.540 4.926 2.258 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.514 4.124 2.612 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.024 2.479 4.298 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.784 3.983 2.046 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.273 2.354 3.724 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.628 3.098 2.622 1.00 0.00 C ATOM 0 H TRP A 15 -2.226 1.064 6.555 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.814 2.209 4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.814 3.959 5.456 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.460 3.002 6.024 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.541 5.199 3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.549 5.582 1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.754 1.893 5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.080 4.559 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.984 1.660 4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.615 2.970 2.203 1.00 0.00 H new ATOM 235 N LEU A 16 -0.970 0.593 3.973 1.00 0.00 N ATOM 236 CA LEU A 16 -0.174 -0.098 2.987 1.00 0.00 C ATOM 237 C LEU A 16 -0.991 -1.194 2.363 1.00 0.00 C ATOM 238 O LEU A 16 -0.636 -1.715 1.336 1.00 0.00 O ATOM 239 CB LEU A 16 1.081 -0.723 3.577 1.00 0.00 C ATOM 240 CG LEU A 16 1.893 -1.521 2.560 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.504 -0.582 1.543 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.968 -2.346 3.250 1.00 0.00 C ATOM 0 H LEU A 16 -0.638 0.504 4.934 1.00 0.00 H new ATOM 0 HA LEU A 16 0.130 0.645 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.708 0.064 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.799 -1.378 4.401 1.00 0.00 H new ATOM 0 HG LEU A 16 1.227 -2.213 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.083 -1.156 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.712 -0.040 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.158 0.127 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.532 -2.905 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.642 -1.684 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.501 -3.041 3.948 1.00 0.00 H new ATOM 254 N ASN A 17 -2.084 -1.543 2.997 1.00 0.00 N ATOM 255 CA ASN A 17 -2.952 -2.582 2.511 1.00 0.00 C ATOM 256 C ASN A 17 -3.719 -2.089 1.290 1.00 0.00 C ATOM 257 O ASN A 17 -3.668 -2.667 0.176 1.00 0.00 O ATOM 258 CB ASN A 17 -3.931 -2.919 3.651 1.00 0.00 C ATOM 259 CG ASN A 17 -3.892 -4.373 4.065 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.719 -5.267 3.238 1.00 0.00 O ATOM 261 ND2 ASN A 17 -4.057 -4.609 5.361 1.00 0.00 N ATOM 0 H ASN A 17 -2.396 -1.112 3.867 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.382 -3.463 2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.699 -2.296 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.944 -2.665 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.044 -5.567 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.197 -3.832 6.007 1.00 0.00 H new ATOM 268 N ASP A 18 -4.340 -0.942 1.501 1.00 0.00 N ATOM 269 CA ASP A 18 -5.090 -0.279 0.470 1.00 0.00 C ATOM 270 C ASP A 18 -4.167 0.360 -0.533 1.00 0.00 C ATOM 271 O ASP A 18 -4.550 0.589 -1.680 1.00 0.00 O ATOM 272 CB ASP A 18 -6.020 0.773 1.078 1.00 0.00 C ATOM 273 CG ASP A 18 -7.223 0.156 1.764 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.025 -0.620 2.724 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.361 0.449 1.343 1.00 0.00 O ATOM 0 H ASP A 18 -4.333 -0.451 2.395 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.695 -1.026 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.463 1.373 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.360 1.450 0.294 1.00 0.00 H new ATOM 280 N THR A 19 -2.945 0.656 -0.112 1.00 0.00 N ATOM 281 CA THR A 19 -1.977 1.269 -0.981 1.00 0.00 C ATOM 282 C THR A 19 -0.969 0.249 -1.468 1.00 0.00 C ATOM 283 O THR A 19 -0.373 0.440 -2.511 1.00 0.00 O ATOM 284 CB THR A 19 -1.284 2.392 -0.229 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.655 3.656 -0.747 1.00 0.00 O ATOM 286 CG2 THR A 19 0.226 2.315 -0.235 1.00 0.00 C ATOM 0 H THR A 19 -2.609 0.476 0.834 1.00 0.00 H new ATOM 0 HA THR A 19 -2.482 1.675 -1.857 1.00 0.00 H new ATOM 0 HB THR A 19 -1.618 2.270 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.197 4.362 -0.245 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.635 3.156 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.545 1.381 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.588 2.352 -1.262 1.00 0.00 H new ATOM 294 N ARG A 20 -0.797 -0.851 -0.727 1.00 0.00 N ATOM 295 CA ARG A 20 0.136 -1.893 -1.151 1.00 0.00 C ATOM 296 C ARG A 20 -0.254 -2.283 -2.534 1.00 0.00 C ATOM 297 O ARG A 20 0.582 -2.524 -3.405 1.00 0.00 O ATOM 298 CB ARG A 20 0.092 -3.123 -0.228 1.00 0.00 C ATOM 299 CG ARG A 20 0.203 -4.452 -0.952 1.00 0.00 C ATOM 300 CD ARG A 20 0.855 -5.513 -0.080 1.00 0.00 C ATOM 301 NE ARG A 20 0.293 -5.536 1.268 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.861 -6.123 1.581 1.00 0.00 C ATOM 303 NH1 ARG A 20 -1.579 -6.733 0.647 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.298 -6.100 2.834 1.00 0.00 N ATOM 0 H ARG A 20 -1.282 -1.039 0.151 1.00 0.00 H new ATOM 0 HA ARG A 20 1.156 -1.510 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.903 -3.048 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.841 -3.106 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.790 -4.787 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.785 -4.322 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.727 -6.491 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.927 -5.326 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 20 0.815 -5.075 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.248 -6.755 -0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.462 -7.181 0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.750 -5.633 3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.182 -6.549 3.074 1.00 0.00 H new ATOM 318 N GLU A 21 -1.551 -2.287 -2.733 1.00 0.00 N ATOM 319 CA GLU A 21 -2.075 -2.591 -4.053 1.00 0.00 C ATOM 320 C GLU A 21 -1.637 -1.475 -5.008 1.00 0.00 C ATOM 321 O GLU A 21 -1.310 -1.707 -6.174 1.00 0.00 O ATOM 322 CB GLU A 21 -3.606 -2.723 -4.002 1.00 0.00 C ATOM 323 CG GLU A 21 -4.337 -2.026 -5.141 1.00 0.00 C ATOM 324 CD GLU A 21 -5.742 -2.557 -5.343 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.535 -2.521 -4.378 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.051 -3.007 -6.467 1.00 0.00 O ATOM 0 H GLU A 21 -2.253 -2.089 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.684 -3.544 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.868 -3.781 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.962 -2.316 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.383 -0.956 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.769 -2.151 -6.063 1.00 0.00 H new ATOM 333 N SER A 22 -1.675 -0.257 -4.479 1.00 0.00 N ATOM 334 CA SER A 22 -1.331 0.943 -5.239 1.00 0.00 C ATOM 335 C SER A 22 0.165 1.034 -5.536 1.00 0.00 C ATOM 336 O SER A 22 0.597 1.807 -6.391 1.00 0.00 O ATOM 337 CB SER A 22 -1.786 2.194 -4.485 1.00 0.00 C ATOM 338 OG SER A 22 -3.163 2.118 -4.156 1.00 0.00 O ATOM 0 H SER A 22 -1.945 -0.072 -3.513 1.00 0.00 H new ATOM 0 HA SER A 22 -1.852 0.877 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.197 2.308 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.603 3.078 -5.096 1.00 0.00 H new ATOM 0 HG SER A 22 -3.429 2.928 -3.673 1.00 0.00 H new ATOM 344 N ILE A 23 0.943 0.265 -4.799 1.00 0.00 N ATOM 345 CA ILE A 23 2.388 0.267 -4.940 1.00 0.00 C ATOM 346 C ILE A 23 2.850 -0.695 -6.009 1.00 0.00 C ATOM 347 O ILE A 23 3.713 -0.362 -6.823 1.00 0.00 O ATOM 348 CB ILE A 23 3.069 -0.111 -3.623 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.348 0.565 -2.460 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.542 0.266 -3.673 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.203 0.815 -1.235 1.00 0.00 C ATOM 0 H ILE A 23 0.594 -0.377 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 23 2.668 1.281 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 23 3.011 -1.189 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.947 1.518 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.498 -0.053 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.019 -0.006 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.026 -0.265 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.637 1.340 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.602 1.298 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.583 -0.134 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.040 1.461 -1.501 1.00 0.00 H new ATOM 363 N LYS A 24 2.287 -1.891 -6.010 1.00 0.00 N ATOM 364 CA LYS A 24 2.676 -2.876 -6.995 1.00 0.00 C ATOM 365 C LYS A 24 2.239 -2.429 -8.383 1.00 0.00 C ATOM 366 O LYS A 24 2.904 -2.716 -9.376 1.00 0.00 O ATOM 367 CB LYS A 24 2.112 -4.252 -6.660 1.00 0.00 C ATOM 368 CG LYS A 24 3.144 -5.363 -6.749 1.00 0.00 C ATOM 369 CD LYS A 24 3.793 -5.629 -5.398 1.00 0.00 C ATOM 370 CE LYS A 24 3.586 -7.069 -4.950 1.00 0.00 C ATOM 371 NZ LYS A 24 4.879 -7.771 -4.716 1.00 0.00 N ATOM 0 H LYS A 24 1.571 -2.197 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 24 3.763 -2.961 -6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.697 -4.231 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.289 -4.475 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.669 -6.275 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.910 -5.092 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.860 -5.416 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.375 -4.952 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.995 -7.083 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.014 -7.606 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.758 -8.481 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.182 -8.241 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.601 -7.081 -4.426 1.00 0.00 H new ATOM 385 N ARG A 25 1.130 -1.699 -8.444 1.00 0.00 N ATOM 386 CA ARG A 25 0.643 -1.184 -9.719 1.00 0.00 C ATOM 387 C ARG A 25 1.583 -0.074 -10.174 1.00 0.00 C ATOM 388 O ARG A 25 2.007 -0.018 -11.327 1.00 0.00 O ATOM 389 CB ARG A 25 -0.793 -0.662 -9.583 1.00 0.00 C ATOM 390 CG ARG A 25 -0.903 0.640 -8.806 1.00 0.00 C ATOM 391 CD ARG A 25 -2.353 1.058 -8.622 1.00 0.00 C ATOM 392 NE ARG A 25 -3.053 1.188 -9.897 1.00 0.00 N ATOM 393 CZ ARG A 25 -4.312 1.603 -10.014 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.013 1.928 -8.935 1.00 0.00 N ATOM 395 NH2 ARG A 25 -4.872 1.694 -11.212 1.00 0.00 N ATOM 0 H ARG A 25 0.558 -1.453 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 25 0.627 -1.983 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.212 -0.516 -10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.400 -1.421 -9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.430 0.524 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.361 1.426 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.866 0.324 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.391 2.008 -8.089 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.547 0.946 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.587 1.860 -8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.978 2.246 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.338 1.446 -12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.837 2.012 -11.301 1.00 0.00 H new ATOM 409 N GLU A 26 1.924 0.780 -9.217 1.00 0.00 N ATOM 410 CA GLU A 26 2.846 1.877 -9.451 1.00 0.00 C ATOM 411 C GLU A 26 4.246 1.313 -9.664 1.00 0.00 C ATOM 412 O GLU A 26 5.138 1.993 -10.171 1.00 0.00 O ATOM 413 CB GLU A 26 2.841 2.848 -8.269 1.00 0.00 C ATOM 414 CG GLU A 26 1.567 3.672 -8.163 1.00 0.00 C ATOM 415 CD GLU A 26 1.571 4.870 -9.091 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.563 5.629 -9.077 1.00 0.00 O ATOM 417 OE2 GLU A 26 0.581 5.052 -9.830 1.00 0.00 O ATOM 0 H GLU A 26 1.569 0.730 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 26 2.533 2.426 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.977 2.284 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.693 3.522 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.709 3.040 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.443 4.013 -7.135 1.00 0.00 H new ATOM 424 N ASN A 27 4.414 0.045 -9.285 1.00 0.00 N ATOM 425 CA ASN A 27 5.677 -0.652 -9.435 1.00 0.00 C ATOM 426 C ASN A 27 5.416 -2.108 -9.808 1.00 0.00 C ATOM 427 O ASN A 27 5.518 -3.001 -8.966 1.00 0.00 O ATOM 428 CB ASN A 27 6.492 -0.573 -8.143 1.00 0.00 C ATOM 429 CG ASN A 27 6.255 0.709 -7.367 1.00 0.00 C ATOM 430 OD1 ASN A 27 5.868 0.677 -6.200 1.00 0.00 O ATOM 431 ND2 ASN A 27 6.488 1.844 -8.013 1.00 0.00 N ATOM 0 H ASN A 27 3.675 -0.520 -8.867 1.00 0.00 H new ATOM 0 HA ASN A 27 6.252 -0.175 -10.229 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.242 -1.425 -7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.552 -0.654 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.347 2.737 -7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.808 1.823 -8.981 1.00 0.00 H new ATOM 438 N PRO A 28 5.044 -2.366 -11.076 1.00 0.00 N ATOM 439 CA PRO A 28 4.732 -3.720 -11.559 1.00 0.00 C ATOM 440 C PRO A 28 5.964 -4.600 -11.757 1.00 0.00 C ATOM 441 O PRO A 28 6.070 -5.313 -12.756 1.00 0.00 O ATOM 442 CB PRO A 28 4.044 -3.461 -12.899 1.00 0.00 C ATOM 443 CG PRO A 28 4.614 -2.170 -13.371 1.00 0.00 C ATOM 444 CD PRO A 28 4.871 -1.351 -12.135 1.00 0.00 C ATOM 0 HA PRO A 28 4.126 -4.267 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.242 -4.265 -13.608 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.962 -3.398 -12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.536 -2.332 -13.930 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.921 -1.659 -14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.760 -0.729 -12.244 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.039 -0.682 -11.917 1.00 0.00 H new ATOM 452 N GLY A 29 6.883 -4.557 -10.803 1.00 0.00 N ATOM 453 CA GLY A 29 8.082 -5.366 -10.894 1.00 0.00 C ATOM 454 C GLY A 29 8.861 -5.391 -9.593 1.00 0.00 C ATOM 455 O GLY A 29 10.058 -5.679 -9.587 1.00 0.00 O ATOM 0 H GLY A 29 6.820 -3.976 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.810 -6.384 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.719 -4.979 -11.689 1.00 0.00 H new ATOM 459 N ILE A 30 8.187 -5.075 -8.490 1.00 0.00 N ATOM 460 CA ILE A 30 8.834 -5.052 -7.196 1.00 0.00 C ATOM 461 C ILE A 30 8.679 -6.374 -6.459 1.00 0.00 C ATOM 462 O ILE A 30 8.601 -7.442 -7.067 1.00 0.00 O ATOM 463 CB ILE A 30 8.300 -3.894 -6.321 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.897 -4.186 -5.762 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.285 -2.620 -7.123 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.278 -3.010 -5.031 1.00 0.00 C ATOM 0 H ILE A 30 7.196 -4.833 -8.474 1.00 0.00 H new ATOM 0 HA ILE A 30 9.896 -4.890 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 30 8.970 -3.787 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.242 -4.479 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.956 -5.036 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.908 -1.805 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.297 -2.386 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.639 -2.745 -7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.290 -3.289 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.912 -2.730 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.187 -2.165 -5.713 1.00 0.00 H new ATOM 478 N LYS A 31 8.650 -6.281 -5.144 1.00 0.00 N ATOM 479 CA LYS A 31 8.525 -7.414 -4.285 1.00 0.00 C ATOM 480 C LYS A 31 7.788 -7.019 -3.028 1.00 0.00 C ATOM 481 O LYS A 31 7.850 -5.879 -2.573 1.00 0.00 O ATOM 482 CB LYS A 31 9.915 -7.949 -3.960 1.00 0.00 C ATOM 483 CG LYS A 31 10.696 -7.091 -2.976 1.00 0.00 C ATOM 484 CD LYS A 31 11.972 -7.784 -2.524 1.00 0.00 C ATOM 485 CE LYS A 31 13.109 -6.793 -2.343 1.00 0.00 C ATOM 486 NZ LYS A 31 14.163 -7.317 -1.431 1.00 0.00 N ATOM 0 H LYS A 31 8.715 -5.393 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 31 7.955 -8.200 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.819 -8.955 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.486 -8.033 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.944 -6.137 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.073 -6.871 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.790 -8.307 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.258 -8.537 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.550 -6.565 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.716 -5.858 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.920 -6.611 -1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.749 -7.511 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.557 -8.196 -1.824 1.00 0.00 H new ATOM 500 N VAL A 32 7.104 -7.988 -2.482 1.00 0.00 N ATOM 501 CA VAL A 32 6.338 -7.843 -1.260 1.00 0.00 C ATOM 502 C VAL A 32 7.004 -6.893 -0.259 1.00 0.00 C ATOM 503 O VAL A 32 6.333 -6.188 0.494 1.00 0.00 O ATOM 504 CB VAL A 32 6.186 -9.234 -0.613 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.001 -10.271 -1.375 1.00 0.00 C ATOM 506 CG2 VAL A 32 6.604 -9.218 0.842 1.00 0.00 C ATOM 0 H VAL A 32 7.059 -8.926 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 32 5.369 -7.415 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 32 5.131 -9.503 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.881 -11.246 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.652 -10.321 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.054 -9.988 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.484 -10.215 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.648 -8.915 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.981 -8.512 1.392 1.00 0.00 H new ATOM 516 N THR A 33 8.327 -6.923 -0.240 1.00 0.00 N ATOM 517 CA THR A 33 9.113 -6.107 0.696 1.00 0.00 C ATOM 518 C THR A 33 9.356 -4.687 0.181 1.00 0.00 C ATOM 519 O THR A 33 9.568 -3.761 0.971 1.00 0.00 O ATOM 520 CB THR A 33 10.456 -6.785 1.009 1.00 0.00 C ATOM 521 OG1 THR A 33 11.487 -6.294 0.169 1.00 0.00 O ATOM 522 CG2 THR A 33 10.425 -8.292 0.863 1.00 0.00 C ATOM 0 H THR A 33 8.889 -7.504 -0.862 1.00 0.00 H new ATOM 0 HA THR A 33 8.523 -6.026 1.609 1.00 0.00 H new ATOM 0 HB THR A 33 10.652 -6.542 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.358 -6.481 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.407 -8.701 1.100 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.684 -8.709 1.546 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.161 -8.553 -0.162 1.00 0.00 H new ATOM 530 N GLU A 34 9.292 -4.499 -1.128 1.00 0.00 N ATOM 531 CA GLU A 34 9.479 -3.176 -1.701 1.00 0.00 C ATOM 532 C GLU A 34 8.243 -2.338 -1.432 1.00 0.00 C ATOM 533 O GLU A 34 8.326 -1.134 -1.226 1.00 0.00 O ATOM 534 CB GLU A 34 9.746 -3.272 -3.206 1.00 0.00 C ATOM 535 CG GLU A 34 9.438 -1.994 -3.978 1.00 0.00 C ATOM 536 CD GLU A 34 10.559 -1.593 -4.916 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.087 -2.479 -5.624 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.912 -0.395 -4.945 1.00 0.00 O ATOM 0 H GLU A 34 9.114 -5.238 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 34 10.345 -2.703 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.792 -3.534 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.149 -4.085 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.522 -2.133 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.253 -1.184 -3.273 1.00 0.00 H new ATOM 545 N ILE A 35 7.094 -2.994 -1.437 1.00 0.00 N ATOM 546 CA ILE A 35 5.837 -2.325 -1.190 1.00 0.00 C ATOM 547 C ILE A 35 5.862 -1.705 0.190 1.00 0.00 C ATOM 548 O ILE A 35 5.435 -0.567 0.395 1.00 0.00 O ATOM 549 CB ILE A 35 4.658 -3.315 -1.262 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.691 -4.104 -2.569 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.336 -2.588 -1.111 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.183 -5.520 -2.423 1.00 0.00 C ATOM 0 H ILE A 35 7.011 -3.996 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 35 5.703 -1.559 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 35 4.757 -4.019 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.090 -3.584 -3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.714 -4.129 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.518 -3.306 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.309 -2.079 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.230 -1.856 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.233 -6.026 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.799 -6.055 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.150 -5.502 -2.076 1.00 0.00 H new ATOM 564 N ALA A 36 6.361 -2.485 1.134 1.00 0.00 N ATOM 565 CA ALA A 36 6.437 -2.058 2.511 1.00 0.00 C ATOM 566 C ALA A 36 7.433 -0.923 2.722 1.00 0.00 C ATOM 567 O ALA A 36 7.289 -0.140 3.660 1.00 0.00 O ATOM 568 CB ALA A 36 6.780 -3.236 3.409 1.00 0.00 C ATOM 0 H ALA A 36 6.721 -3.424 0.964 1.00 0.00 H new ATOM 0 HA ALA A 36 5.454 -1.670 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.834 -2.900 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.009 -4.001 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.743 -3.652 3.112 1.00 0.00 H new ATOM 574 N LYS A 37 8.456 -0.836 1.875 1.00 0.00 N ATOM 575 CA LYS A 37 9.467 0.208 2.026 1.00 0.00 C ATOM 576 C LYS A 37 9.118 1.458 1.224 1.00 0.00 C ATOM 577 O LYS A 37 9.089 2.572 1.765 1.00 0.00 O ATOM 578 CB LYS A 37 10.836 -0.318 1.592 1.00 0.00 C ATOM 579 CG LYS A 37 11.987 0.222 2.424 1.00 0.00 C ATOM 580 CD LYS A 37 12.067 -0.467 3.778 1.00 0.00 C ATOM 581 CE LYS A 37 13.424 -0.260 4.428 1.00 0.00 C ATOM 582 NZ LYS A 37 13.557 -1.032 5.695 1.00 0.00 N ATOM 0 H LYS A 37 8.606 -1.466 1.087 1.00 0.00 H new ATOM 0 HA LYS A 37 9.497 0.484 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.834 -1.406 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.001 -0.058 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.924 0.080 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.862 1.295 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.286 -0.079 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.880 -1.534 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.209 -0.563 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.571 0.801 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.497 -0.864 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.824 -0.726 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.443 -2.047 5.497 1.00 0.00 H new ATOM 596 N LYS A 38 8.843 1.277 -0.064 1.00 0.00 N ATOM 597 CA LYS A 38 8.497 2.392 -0.926 1.00 0.00 C ATOM 598 C LYS A 38 7.142 2.978 -0.552 1.00 0.00 C ATOM 599 O LYS A 38 6.765 4.047 -1.033 1.00 0.00 O ATOM 600 CB LYS A 38 8.520 1.951 -2.396 1.00 0.00 C ATOM 601 CG LYS A 38 7.147 1.727 -3.016 1.00 0.00 C ATOM 602 CD LYS A 38 6.565 3.022 -3.564 1.00 0.00 C ATOM 603 CE LYS A 38 6.592 3.051 -5.083 1.00 0.00 C ATOM 604 NZ LYS A 38 6.952 4.396 -5.608 1.00 0.00 N ATOM 0 H LYS A 38 8.854 0.369 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 38 9.241 3.176 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.048 2.706 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.094 1.028 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.224 0.993 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.472 1.311 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.538 3.136 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.130 3.869 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.310 2.316 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.615 2.761 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.654 4.472 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.472 5.128 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.981 4.530 -5.544 1.00 0.00 H new ATOM 618 N GLY A 39 6.423 2.292 0.328 1.00 0.00 N ATOM 619 CA GLY A 39 5.150 2.794 0.758 1.00 0.00 C ATOM 620 C GLY A 39 5.308 3.706 1.952 1.00 0.00 C ATOM 621 O GLY A 39 4.716 4.781 2.017 1.00 0.00 O ATOM 0 H GLY A 39 6.704 1.404 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.673 3.336 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.494 1.962 1.014 1.00 0.00 H new ATOM 625 N GLY A 40 6.125 3.279 2.895 1.00 0.00 N ATOM 626 CA GLY A 40 6.371 4.075 4.082 1.00 0.00 C ATOM 627 C GLY A 40 6.819 5.474 3.731 1.00 0.00 C ATOM 628 O GLY A 40 6.357 6.451 4.320 1.00 0.00 O ATOM 0 H GLY A 40 6.627 2.392 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.463 4.123 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.133 3.591 4.694 1.00 0.00 H new ATOM 632 N GLU A 41 7.713 5.571 2.750 1.00 0.00 N ATOM 633 CA GLU A 41 8.212 6.867 2.305 1.00 0.00 C ATOM 634 C GLU A 41 7.052 7.780 1.912 1.00 0.00 C ATOM 635 O GLU A 41 6.999 8.944 2.307 1.00 0.00 O ATOM 636 CB GLU A 41 9.151 6.690 1.113 1.00 0.00 C ATOM 637 CG GLU A 41 8.524 5.910 -0.028 1.00 0.00 C ATOM 638 CD GLU A 41 9.510 5.606 -1.139 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.650 5.202 -0.827 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.142 5.770 -2.322 1.00 0.00 O ATOM 0 H GLU A 41 8.104 4.772 2.251 1.00 0.00 H new ATOM 0 HA GLU A 41 8.760 7.325 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.456 7.671 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.054 6.177 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.117 4.975 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.688 6.478 -0.435 1.00 0.00 H new ATOM 647 N MET A 42 6.126 7.234 1.128 1.00 0.00 N ATOM 648 CA MET A 42 4.961 7.980 0.670 1.00 0.00 C ATOM 649 C MET A 42 3.959 8.160 1.797 1.00 0.00 C ATOM 650 O MET A 42 3.296 9.191 1.907 1.00 0.00 O ATOM 651 CB MET A 42 4.286 7.238 -0.479 1.00 0.00 C ATOM 652 CG MET A 42 3.451 6.055 -0.020 1.00 0.00 C ATOM 653 SD MET A 42 2.311 5.486 -1.288 1.00 0.00 S ATOM 654 CE MET A 42 2.986 3.863 -1.583 1.00 0.00 C ATOM 0 H MET A 42 6.162 6.270 0.796 1.00 0.00 H new ATOM 0 HA MET A 42 5.298 8.960 0.332 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.649 7.933 -1.027 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.049 6.888 -1.175 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.112 5.236 0.264 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.889 6.335 0.871 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.516 3.428 -2.465 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.061 3.940 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.794 3.227 -0.719 1.00 0.00 H new ATOM 664 N TRP A 43 3.851 7.128 2.619 1.00 0.00 N ATOM 665 CA TRP A 43 2.937 7.117 3.732 1.00 0.00 C ATOM 666 C TRP A 43 3.235 8.259 4.702 1.00 0.00 C ATOM 667 O TRP A 43 2.346 9.038 5.046 1.00 0.00 O ATOM 668 CB TRP A 43 3.039 5.745 4.385 1.00 0.00 C ATOM 669 CG TRP A 43 2.739 5.694 5.831 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.638 5.708 6.833 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.456 5.577 6.420 1.00 0.00 C ATOM 672 NE1 TRP A 43 2.990 5.603 8.044 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.637 5.519 7.808 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.173 5.516 5.898 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.563 5.396 8.687 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.894 5.396 6.761 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.696 5.335 8.145 1.00 0.00 C ATOM 0 H TRP A 43 4.401 6.274 2.526 1.00 0.00 H new ATOM 0 HA TRP A 43 1.912 7.284 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.359 5.067 3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.048 5.364 4.229 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.707 5.789 6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.437 5.590 8.961 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.013 5.562 4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.716 5.350 9.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.897 5.348 6.364 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.550 5.238 8.799 1.00 0.00 H new ATOM 688 N LYS A 44 4.486 8.358 5.137 1.00 0.00 N ATOM 689 CA LYS A 44 4.891 9.412 6.062 1.00 0.00 C ATOM 690 C LYS A 44 4.516 10.797 5.528 1.00 0.00 C ATOM 691 O LYS A 44 4.364 11.745 6.298 1.00 0.00 O ATOM 692 CB LYS A 44 6.400 9.339 6.312 1.00 0.00 C ATOM 693 CG LYS A 44 6.762 8.809 7.689 1.00 0.00 C ATOM 694 CD LYS A 44 7.070 7.321 7.650 1.00 0.00 C ATOM 695 CE LYS A 44 8.241 6.970 8.553 1.00 0.00 C ATOM 696 NZ LYS A 44 9.505 7.615 8.101 1.00 0.00 N ATOM 0 H LYS A 44 5.237 7.723 4.865 1.00 0.00 H new ATOM 0 HA LYS A 44 4.360 9.257 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.855 8.701 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.829 10.334 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.627 9.351 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.939 8.993 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.189 6.758 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.296 7.022 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.019 7.283 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.373 5.888 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.316 7.033 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.498 7.704 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.585 8.559 8.529 1.00 0.00 H new ATOM 710 N GLU A 45 4.371 10.910 4.209 1.00 0.00 N ATOM 711 CA GLU A 45 4.018 12.185 3.584 1.00 0.00 C ATOM 712 C GLU A 45 2.687 12.088 2.839 1.00 0.00 C ATOM 713 O GLU A 45 2.559 12.554 1.708 1.00 0.00 O ATOM 714 CB GLU A 45 5.124 12.625 2.621 1.00 0.00 C ATOM 715 CG GLU A 45 5.318 11.679 1.446 1.00 0.00 C ATOM 716 CD GLU A 45 6.550 12.013 0.628 1.00 0.00 C ATOM 717 OE1 GLU A 45 6.477 12.937 -0.208 1.00 0.00 O ATOM 718 OE2 GLU A 45 7.590 11.348 0.825 1.00 0.00 O ATOM 0 H GLU A 45 4.492 10.138 3.554 1.00 0.00 H new ATOM 0 HA GLU A 45 3.912 12.928 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.890 13.620 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.062 12.706 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.398 10.657 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.438 11.718 0.804 1.00 0.00 H new ATOM 725 N LEU A 46 1.702 11.473 3.484 1.00 0.00 N ATOM 726 CA LEU A 46 0.386 11.314 2.875 1.00 0.00 C ATOM 727 C LEU A 46 -0.731 11.725 3.846 1.00 0.00 C ATOM 728 O LEU A 46 -0.647 11.473 5.048 1.00 0.00 O ATOM 729 CB LEU A 46 0.242 9.868 2.355 1.00 0.00 C ATOM 730 CG LEU A 46 -0.920 9.042 2.900 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.240 7.895 1.962 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.598 8.512 4.284 1.00 0.00 C ATOM 0 H LEU A 46 1.788 11.079 4.421 1.00 0.00 H new ATOM 0 HA LEU A 46 0.288 11.985 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.148 9.907 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.167 9.336 2.576 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.794 9.689 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.071 7.316 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.514 8.290 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.365 7.253 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.439 7.926 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.290 7.881 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.413 9.347 4.959 1.00 0.00 H new ATOM 744 N LYS A 47 -1.767 12.387 3.313 1.00 0.00 N ATOM 745 CA LYS A 47 -2.895 12.860 4.129 1.00 0.00 C ATOM 746 C LYS A 47 -4.006 11.826 4.212 1.00 0.00 C ATOM 747 O LYS A 47 -5.126 12.125 4.626 1.00 0.00 O ATOM 748 CB LYS A 47 -3.444 14.174 3.568 1.00 0.00 C ATOM 749 CG LYS A 47 -2.363 15.172 3.188 1.00 0.00 C ATOM 750 CD LYS A 47 -2.053 15.118 1.700 1.00 0.00 C ATOM 751 CE LYS A 47 -0.566 15.280 1.434 1.00 0.00 C ATOM 752 NZ LYS A 47 -0.139 14.558 0.204 1.00 0.00 N ATOM 0 H LYS A 47 -1.848 12.607 2.320 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.519 13.027 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.053 13.958 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.102 14.629 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.684 16.178 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.457 14.963 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.395 14.168 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.604 15.904 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.329 16.339 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.002 14.906 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.882 14.694 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.342 13.543 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.658 14.932 -0.616 1.00 0.00 H new ATOM 766 N ASP A 48 -3.667 10.600 3.868 1.00 0.00 N ATOM 767 CA ASP A 48 -4.594 9.492 3.951 1.00 0.00 C ATOM 768 C ASP A 48 -4.250 8.672 5.187 1.00 0.00 C ATOM 769 O ASP A 48 -5.006 7.799 5.601 1.00 0.00 O ATOM 770 CB ASP A 48 -4.516 8.623 2.693 1.00 0.00 C ATOM 771 CG ASP A 48 -4.524 9.445 1.419 1.00 0.00 C ATOM 772 OD1 ASP A 48 -3.588 10.249 1.225 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.468 9.286 0.617 1.00 0.00 O ATOM 0 H ASP A 48 -2.742 10.345 3.523 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.614 9.870 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.608 8.020 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.358 7.931 2.680 1.00 0.00 H new ATOM 778 N LYS A 49 -3.089 8.985 5.775 1.00 0.00 N ATOM 779 CA LYS A 49 -2.612 8.313 6.970 1.00 0.00 C ATOM 780 C LYS A 49 -3.309 8.865 8.201 1.00 0.00 C ATOM 781 O LYS A 49 -3.481 8.163 9.188 1.00 0.00 O ATOM 782 CB LYS A 49 -1.098 8.484 7.101 1.00 0.00 C ATOM 783 CG LYS A 49 -0.554 8.178 8.478 1.00 0.00 C ATOM 784 CD LYS A 49 -0.114 9.440 9.197 1.00 0.00 C ATOM 785 CE LYS A 49 1.036 10.113 8.463 1.00 0.00 C ATOM 786 NZ LYS A 49 1.703 11.147 9.301 1.00 0.00 N ATOM 0 H LYS A 49 -2.461 9.711 5.430 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.841 7.251 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.607 7.834 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.836 9.509 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.318 7.670 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.290 7.494 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.954 10.130 9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.193 9.195 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.766 9.360 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.662 10.573 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.480 11.581 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.013 11.879 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.082 10.704 10.162 1.00 0.00 H new ATOM 800 N SER A 50 -3.766 10.104 8.128 1.00 0.00 N ATOM 801 CA SER A 50 -4.493 10.677 9.244 1.00 0.00 C ATOM 802 C SER A 50 -5.842 9.985 9.322 1.00 0.00 C ATOM 803 O SER A 50 -6.429 9.833 10.394 1.00 0.00 O ATOM 804 CB SER A 50 -4.669 12.186 9.066 1.00 0.00 C ATOM 805 OG SER A 50 -5.405 12.743 10.142 1.00 0.00 O ATOM 0 H SER A 50 -3.649 10.721 7.324 1.00 0.00 H new ATOM 0 HA SER A 50 -3.936 10.527 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.692 12.665 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.183 12.387 8.126 1.00 0.00 H new ATOM 0 HG SER A 50 -5.503 13.709 10.006 1.00 0.00 H new ATOM 811 N LYS A 51 -6.311 9.559 8.154 1.00 0.00 N ATOM 812 CA LYS A 51 -7.590 8.859 8.042 1.00 0.00 C ATOM 813 C LYS A 51 -7.389 7.343 7.986 1.00 0.00 C ATOM 814 O LYS A 51 -8.331 6.579 8.195 1.00 0.00 O ATOM 815 CB LYS A 51 -8.378 9.332 6.813 1.00 0.00 C ATOM 816 CG LYS A 51 -7.513 9.833 5.667 1.00 0.00 C ATOM 817 CD LYS A 51 -8.233 9.719 4.333 1.00 0.00 C ATOM 818 CE LYS A 51 -8.065 10.979 3.498 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.061 11.051 2.394 1.00 0.00 N ATOM 0 H LYS A 51 -5.824 9.686 7.267 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.168 9.098 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.995 8.509 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.056 10.130 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.238 10.873 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.587 9.260 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.846 8.862 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.293 9.535 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.169 11.855 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.058 11.006 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.913 11.924 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.946 10.228 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.022 11.051 2.793 1.00 0.00 H new ATOM 833 N TRP A 52 -6.160 6.912 7.704 1.00 0.00 N ATOM 834 CA TRP A 52 -5.847 5.487 7.624 1.00 0.00 C ATOM 835 C TRP A 52 -5.162 5.006 8.897 1.00 0.00 C ATOM 836 O TRP A 52 -5.513 3.963 9.452 1.00 0.00 O ATOM 837 CB TRP A 52 -4.947 5.202 6.419 1.00 0.00 C ATOM 838 CG TRP A 52 -5.704 5.020 5.139 1.00 0.00 C ATOM 839 CD1 TRP A 52 -5.482 5.666 3.957 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.805 4.133 4.913 1.00 0.00 C ATOM 841 NE1 TRP A 52 -6.379 5.236 3.009 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.202 4.294 3.571 1.00 0.00 C ATOM 843 CE3 TRP A 52 -7.494 3.218 5.713 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -8.256 3.574 3.015 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -8.540 2.503 5.160 1.00 0.00 C ATOM 846 CH2 TRP A 52 -8.912 2.685 3.822 1.00 0.00 C ATOM 0 H TRP A 52 -5.367 7.528 7.528 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.786 4.947 7.506 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.240 6.024 6.301 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.362 4.304 6.617 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.714 6.407 3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.425 5.564 2.044 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -7.214 3.072 6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.545 3.712 1.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.079 1.793 5.769 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.734 2.112 3.419 1.00 0.00 H new ATOM 857 N GLU A 53 -4.205 5.788 9.377 1.00 0.00 N ATOM 858 CA GLU A 53 -3.494 5.447 10.600 1.00 0.00 C ATOM 859 C GLU A 53 -4.479 5.305 11.742 1.00 0.00 C ATOM 860 O GLU A 53 -4.267 4.530 12.674 1.00 0.00 O ATOM 861 CB GLU A 53 -2.444 6.510 10.933 1.00 0.00 C ATOM 862 CG GLU A 53 -2.959 7.655 11.796 1.00 0.00 C ATOM 863 CD GLU A 53 -2.780 7.392 13.279 1.00 0.00 C ATOM 864 OE1 GLU A 53 -2.636 6.212 13.660 1.00 0.00 O ATOM 865 OE2 GLU A 53 -2.784 8.367 14.059 1.00 0.00 O ATOM 0 H GLU A 53 -3.904 6.659 8.940 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.979 4.498 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.610 6.031 11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.052 6.920 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.435 8.572 11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.016 7.818 11.584 1.00 0.00 H new ATOM 872 N ASP A 54 -5.564 6.063 11.658 1.00 0.00 N ATOM 873 CA ASP A 54 -6.580 6.016 12.680 1.00 0.00 C ATOM 874 C ASP A 54 -7.291 4.686 12.650 1.00 0.00 C ATOM 875 O ASP A 54 -7.732 4.195 13.680 1.00 0.00 O ATOM 876 CB ASP A 54 -7.574 7.169 12.525 1.00 0.00 C ATOM 877 CG ASP A 54 -7.189 8.379 13.354 1.00 0.00 C ATOM 878 OD1 ASP A 54 -7.603 8.449 14.530 1.00 0.00 O ATOM 879 OD2 ASP A 54 -6.475 9.257 12.826 1.00 0.00 O ATOM 0 H ASP A 54 -5.755 6.712 10.894 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.094 6.128 13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.633 7.455 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.567 6.831 12.820 1.00 0.00 H new ATOM 884 N ALA A 55 -7.367 4.078 11.475 1.00 0.00 N ATOM 885 CA ALA A 55 -7.989 2.775 11.365 1.00 0.00 C ATOM 886 C ALA A 55 -7.192 1.793 12.208 1.00 0.00 C ATOM 887 O ALA A 55 -7.749 0.933 12.890 1.00 0.00 O ATOM 888 CB ALA A 55 -8.051 2.327 9.912 1.00 0.00 C ATOM 0 H ALA A 55 -7.011 4.462 10.600 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.015 2.821 11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.522 1.346 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.634 3.044 9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.041 2.270 9.506 1.00 0.00 H new ATOM 894 N ALA A 56 -5.870 1.930 12.142 1.00 0.00 N ATOM 895 CA ALA A 56 -4.956 1.063 12.885 1.00 0.00 C ATOM 896 C ALA A 56 -5.159 1.171 14.386 1.00 0.00 C ATOM 897 O ALA A 56 -5.255 0.164 15.075 1.00 0.00 O ATOM 898 CB ALA A 56 -3.528 1.419 12.546 1.00 0.00 C ATOM 0 H ALA A 56 -5.404 2.639 11.577 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.170 0.035 12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.850 0.771 13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.364 1.285 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.338 2.458 12.815 1.00 0.00 H new ATOM 904 N ALA A 57 -5.219 2.398 14.891 1.00 0.00 N ATOM 905 CA ALA A 57 -5.413 2.617 16.318 1.00 0.00 C ATOM 906 C ALA A 57 -6.841 2.271 16.714 1.00 0.00 C ATOM 907 O ALA A 57 -7.104 1.852 17.838 1.00 0.00 O ATOM 908 CB ALA A 57 -5.093 4.059 16.682 1.00 0.00 C ATOM 0 H ALA A 57 -5.137 3.251 14.337 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.733 1.965 16.867 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.243 4.206 17.752 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.056 4.277 16.428 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.751 4.729 16.128 1.00 0.00 H new ATOM 914 N LYS A 58 -7.753 2.451 15.770 1.00 0.00 N ATOM 915 CA LYS A 58 -9.160 2.157 16.010 1.00 0.00 C ATOM 916 C LYS A 58 -9.406 0.655 15.945 1.00 0.00 C ATOM 917 O LYS A 58 -10.242 0.123 16.674 1.00 0.00 O ATOM 918 CB LYS A 58 -10.066 2.911 15.021 1.00 0.00 C ATOM 919 CG LYS A 58 -10.517 2.089 13.820 1.00 0.00 C ATOM 920 CD LYS A 58 -11.517 2.854 12.963 1.00 0.00 C ATOM 921 CE LYS A 58 -10.954 4.186 12.489 1.00 0.00 C ATOM 922 NZ LYS A 58 -11.694 5.340 13.070 1.00 0.00 N ATOM 0 H LYS A 58 -7.546 2.798 14.833 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.414 2.504 17.012 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.948 3.265 15.554 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.535 3.793 14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.650 1.819 13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.968 1.158 14.164 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.794 2.249 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.428 3.028 13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.902 4.254 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.003 4.234 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.280 6.228 12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.693 5.290 12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.626 5.309 14.107 1.00 0.00 H new ATOM 936 N ASP A 59 -8.673 -0.030 15.069 1.00 0.00 N ATOM 937 CA ASP A 59 -8.828 -1.470 14.928 1.00 0.00 C ATOM 938 C ASP A 59 -7.977 -2.218 15.944 1.00 0.00 C ATOM 939 O ASP A 59 -8.341 -3.303 16.373 1.00 0.00 O ATOM 940 CB ASP A 59 -8.464 -1.915 13.503 1.00 0.00 C ATOM 941 CG ASP A 59 -9.278 -3.108 13.044 1.00 0.00 C ATOM 942 OD1 ASP A 59 -10.509 -2.964 12.891 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.684 -4.186 12.834 1.00 0.00 O ATOM 0 H ASP A 59 -7.974 0.387 14.454 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.874 -1.712 15.117 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.622 -1.085 12.815 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.404 -2.165 13.463 1.00 0.00 H new ATOM 948 N LYS A 60 -6.841 -1.645 16.318 1.00 0.00 N ATOM 949 CA LYS A 60 -5.950 -2.279 17.286 1.00 0.00 C ATOM 950 C LYS A 60 -6.593 -2.257 18.660 1.00 0.00 C ATOM 951 O LYS A 60 -6.618 -3.260 19.374 1.00 0.00 O ATOM 952 CB LYS A 60 -4.595 -1.556 17.322 1.00 0.00 C ATOM 953 CG LYS A 60 -3.879 -1.627 18.669 1.00 0.00 C ATOM 954 CD LYS A 60 -4.064 -0.345 19.467 1.00 0.00 C ATOM 955 CE LYS A 60 -2.826 0.534 19.404 1.00 0.00 C ATOM 956 NZ LYS A 60 -2.799 1.369 18.173 1.00 0.00 N ATOM 0 H LYS A 60 -6.513 -0.745 15.968 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.779 -3.313 16.987 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.948 -1.984 16.557 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.748 -0.509 17.060 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.262 -2.472 19.242 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.816 -1.807 18.508 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.922 0.205 19.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.285 -0.590 20.506 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.795 1.180 20.281 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.934 -0.092 19.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.839 1.742 18.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.073 0.789 17.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.466 2.160 18.275 1.00 0.00 H new ATOM 970 N GLN A 61 -7.114 -1.097 19.011 1.00 0.00 N ATOM 971 CA GLN A 61 -7.765 -0.907 20.280 1.00 0.00 C ATOM 972 C GLN A 61 -9.083 -1.666 20.301 1.00 0.00 C ATOM 973 O GLN A 61 -9.524 -2.145 21.340 1.00 0.00 O ATOM 974 CB GLN A 61 -7.995 0.585 20.545 1.00 0.00 C ATOM 975 CG GLN A 61 -9.386 0.923 21.056 1.00 0.00 C ATOM 976 CD GLN A 61 -9.381 1.365 22.505 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.566 0.410 23.408 1.00 0.00 O flip ATOM 978 NE2 GLN A 61 -9.214 2.546 22.808 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.095 -0.265 18.421 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.124 -1.296 21.071 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.260 0.930 21.272 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.815 1.138 19.623 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.813 1.714 20.440 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.031 0.051 20.948 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.076 3.245 22.078 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.214 2.826 23.789 1.00 0.00 H new ATOM 987 N ARG A 62 -9.718 -1.758 19.148 1.00 0.00 N ATOM 988 CA ARG A 62 -10.985 -2.443 19.056 1.00 0.00 C ATOM 989 C ARG A 62 -10.815 -3.944 18.888 1.00 0.00 C ATOM 990 O ARG A 62 -11.752 -4.711 19.117 1.00 0.00 O ATOM 991 CB ARG A 62 -11.816 -1.913 17.899 1.00 0.00 C ATOM 992 CG ARG A 62 -12.978 -2.827 17.578 1.00 0.00 C ATOM 993 CD ARG A 62 -13.810 -2.298 16.424 1.00 0.00 C ATOM 994 NE ARG A 62 -13.017 -2.153 15.204 1.00 0.00 N ATOM 995 CZ ARG A 62 -13.479 -1.610 14.080 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.726 -1.160 14.016 1.00 0.00 N ATOM 997 NH2 ARG A 62 -12.691 -1.514 13.018 1.00 0.00 N ATOM 0 H ARG A 62 -9.377 -1.368 18.269 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.501 -2.252 19.997 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.192 -0.920 18.146 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.184 -1.804 17.017 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.602 -3.819 17.330 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.609 -2.937 18.460 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.644 -2.975 16.237 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.237 -1.333 16.696 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.053 -2.488 15.215 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.336 -1.229 14.831 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.075 -0.745 13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.731 -1.856 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.045 -1.098 12.156 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.636 -4.366 18.474 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.395 -5.784 18.263 1.00 0.00 C ATOM 1013 C TYR A 63 -8.877 -6.400 19.528 1.00 0.00 C ATOM 1014 O TYR A 63 -9.278 -7.491 19.916 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.426 -6.027 17.107 1.00 0.00 C ATOM 1016 CG TYR A 63 -9.124 -6.236 15.783 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -10.061 -5.323 15.318 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -8.854 -7.352 15.003 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -10.709 -5.517 14.112 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -9.495 -7.554 13.797 1.00 0.00 C ATOM 1021 CZ TYR A 63 -10.422 -6.633 13.355 1.00 0.00 C ATOM 1022 OH TYR A 63 -11.064 -6.830 12.155 1.00 0.00 O ATOM 0 H TYR A 63 -8.839 -3.759 18.279 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.340 -6.255 17.993 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.749 -5.177 17.024 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.815 -6.901 17.331 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.287 -4.447 15.908 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.129 -8.076 15.346 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.436 -4.798 13.765 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.272 -8.428 13.203 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.747 -7.663 11.747 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.001 -5.685 20.194 1.00 0.00 N ATOM 1033 CA HIS A 64 -7.474 -6.163 21.433 1.00 0.00 C ATOM 1034 C HIS A 64 -8.609 -6.117 22.468 1.00 0.00 C ATOM 1035 O HIS A 64 -8.649 -6.882 23.430 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.276 -5.297 21.820 1.00 0.00 C ATOM 1037 CG HIS A 64 -6.636 -4.102 22.603 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -7.403 -3.119 22.079 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.320 -3.720 23.852 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -7.551 -2.159 22.957 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -6.905 -2.495 24.058 1.00 0.00 N ATOM 0 H HIS A 64 -7.645 -4.777 19.895 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.117 -7.191 21.367 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.574 -5.900 22.396 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.758 -4.984 20.914 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.720 -4.272 24.560 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.108 -1.246 22.806 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.850 -1.941 24.913 1.00 0.00 H new ATOM 1050 N ASP A 65 -9.527 -5.185 22.234 1.00 0.00 N ATOM 1051 CA ASP A 65 -10.662 -4.974 23.104 1.00 0.00 C ATOM 1052 C ASP A 65 -11.742 -6.005 22.887 1.00 0.00 C ATOM 1053 O ASP A 65 -12.717 -6.055 23.639 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.259 -3.625 22.801 1.00 0.00 C ATOM 1055 CG ASP A 65 -10.830 -2.553 23.783 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -9.797 -2.745 24.457 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -11.529 -1.523 23.879 1.00 0.00 O ATOM 0 H ASP A 65 -9.498 -4.556 21.431 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.307 -5.046 24.132 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.970 -3.324 21.794 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.346 -3.705 22.810 1.00 0.00 H new ATOM 1062 N GLU A 66 -11.596 -6.810 21.853 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.603 -7.797 21.565 1.00 0.00 C ATOM 1064 C GLU A 66 -11.977 -9.027 20.976 1.00 0.00 C ATOM 1065 O GLU A 66 -12.300 -10.149 21.365 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.658 -7.238 20.606 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.072 -5.807 20.911 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.962 -5.704 22.135 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.707 -6.669 22.410 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.914 -4.659 22.817 1.00 0.00 O ATOM 0 H GLU A 66 -10.803 -6.798 21.212 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.093 -8.062 22.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.271 -7.285 19.588 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.541 -7.876 20.641 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.180 -5.199 21.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.596 -5.393 20.050 1.00 0.00 H new ATOM 1077 N MET A 67 -11.081 -8.825 20.023 1.00 0.00 N ATOM 1078 CA MET A 67 -10.418 -9.924 19.375 1.00 0.00 C ATOM 1079 C MET A 67 -9.171 -10.328 20.123 1.00 0.00 C ATOM 1080 O MET A 67 -8.279 -10.963 19.559 1.00 0.00 O ATOM 1081 CB MET A 67 -10.037 -9.536 17.958 1.00 0.00 C ATOM 1082 CG MET A 67 -11.059 -8.650 17.262 1.00 0.00 C ATOM 1083 SD MET A 67 -11.564 -9.287 15.654 1.00 0.00 S ATOM 1084 CE MET A 67 -13.224 -9.841 16.030 1.00 0.00 C ATOM 0 H MET A 67 -10.802 -7.903 19.687 1.00 0.00 H new ATOM 0 HA MET A 67 -11.109 -10.767 19.361 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.078 -9.019 17.980 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.897 -10.443 17.369 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.938 -8.549 17.899 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.640 -7.652 17.136 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.362 -10.857 15.659 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.377 -9.825 17.109 1.00 0.00 H new ATOM 0 HE3 MET A 67 -13.946 -9.179 15.552 1.00 0.00 H new ATOM 1094 N ARG A 68 -9.142 -10.045 21.408 1.00 0.00 N ATOM 1095 CA ARG A 68 -8.047 -10.467 22.262 1.00 0.00 C ATOM 1096 C ARG A 68 -8.717 -10.799 23.576 1.00 0.00 C ATOM 1097 O ARG A 68 -8.627 -11.912 24.094 1.00 0.00 O ATOM 1098 CB ARG A 68 -6.993 -9.364 22.410 1.00 0.00 C ATOM 1099 CG ARG A 68 -6.716 -8.913 23.841 1.00 0.00 C ATOM 1100 CD ARG A 68 -6.073 -7.546 23.863 1.00 0.00 C ATOM 1101 NE ARG A 68 -5.397 -7.271 25.126 1.00 0.00 N ATOM 1102 CZ ARG A 68 -4.208 -7.770 25.457 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -3.561 -8.572 24.620 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -3.666 -7.468 26.629 1.00 0.00 N ATOM 0 H ARG A 68 -9.871 -9.519 21.890 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.499 -11.317 21.856 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.059 -9.715 21.970 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.313 -8.499 21.830 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.648 -8.889 24.406 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.063 -9.634 24.333 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.355 -7.472 23.046 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.835 -6.786 23.688 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.863 -6.659 25.796 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.975 -8.809 23.718 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.650 -8.951 24.879 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.160 -6.854 27.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.755 -7.850 26.883 1.00 0.00 H new ATOM 1118 N ASN A 69 -9.430 -9.783 24.063 1.00 0.00 N ATOM 1119 CA ASN A 69 -10.190 -9.880 25.273 1.00 0.00 C ATOM 1120 C ASN A 69 -10.789 -11.253 25.275 1.00 0.00 C ATOM 1121 O ASN A 69 -10.671 -11.995 26.251 1.00 0.00 O ATOM 1122 CB ASN A 69 -11.282 -8.810 25.327 1.00 0.00 C ATOM 1123 CG ASN A 69 -10.875 -7.608 26.158 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -10.952 -6.468 25.700 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -10.437 -7.859 27.385 1.00 0.00 N ATOM 0 H ASN A 69 -9.486 -8.870 23.612 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.559 -9.718 26.147 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.518 -8.484 24.314 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.192 -9.244 25.742 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.147 -7.091 27.990 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.390 -8.820 27.723 1.00 0.00 H new ATOM 1132 N TYR A 70 -11.452 -11.601 24.168 1.00 0.00 N ATOM 1133 CA TYR A 70 -12.068 -12.893 24.082 1.00 0.00 C ATOM 1134 C TYR A 70 -11.033 -14.011 24.168 1.00 0.00 C ATOM 1135 O TYR A 70 -11.146 -14.912 24.998 1.00 0.00 O ATOM 1136 CB TYR A 70 -12.882 -13.018 22.792 1.00 0.00 C ATOM 1137 CG TYR A 70 -14.332 -12.622 22.947 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -14.683 -11.337 23.342 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -15.351 -13.533 22.697 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -16.009 -10.972 23.485 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -16.679 -13.175 22.837 1.00 0.00 C ATOM 1142 CZ TYR A 70 -17.002 -11.894 23.231 1.00 0.00 C ATOM 1143 OH TYR A 70 -18.323 -11.533 23.372 1.00 0.00 O ATOM 0 H TYR A 70 -11.565 -11.009 23.345 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.742 -12.994 24.932 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.425 -12.395 22.023 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.832 -14.048 22.440 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.908 -10.612 23.541 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.101 -14.537 22.388 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -16.266 -9.970 23.794 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.459 -13.895 22.639 1.00 0.00 H new ATOM 0 HH TYR A 70 -18.896 -12.298 23.154 1.00 0.00 H new ATOM 1153 N LYS A 71 -10.025 -13.945 23.304 1.00 0.00 N ATOM 1154 CA LYS A 71 -8.971 -14.953 23.281 1.00 0.00 C ATOM 1155 C LYS A 71 -8.261 -15.030 24.632 1.00 0.00 C ATOM 1156 O LYS A 71 -8.081 -14.015 25.306 1.00 0.00 O ATOM 1157 CB LYS A 71 -7.959 -14.636 22.177 1.00 0.00 C ATOM 1158 CG LYS A 71 -7.543 -15.852 21.366 1.00 0.00 C ATOM 1159 CD LYS A 71 -7.261 -15.487 19.918 1.00 0.00 C ATOM 1160 CE LYS A 71 -6.101 -16.292 19.356 1.00 0.00 C ATOM 1161 NZ LYS A 71 -5.396 -15.565 18.264 1.00 0.00 N ATOM 0 H LYS A 71 -9.916 -13.205 22.611 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.431 -15.920 23.077 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.387 -13.891 21.506 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.072 -14.188 22.626 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.653 -16.299 21.809 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.331 -16.604 21.406 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.153 -15.664 19.317 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.035 -14.423 19.847 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.396 -16.518 20.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.470 -17.245 18.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.612 -16.148 17.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.062 -15.371 17.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.021 -14.667 18.631 1.00 0.00 H new ATOM 1175 N PRO A 72 -7.849 -16.241 25.050 1.00 0.00 N ATOM 1176 CA PRO A 72 -7.158 -16.441 26.327 1.00 0.00 C ATOM 1177 C PRO A 72 -5.731 -15.904 26.304 1.00 0.00 C ATOM 1178 O PRO A 72 -5.294 -15.238 27.242 1.00 0.00 O ATOM 1179 CB PRO A 72 -7.154 -17.962 26.491 1.00 0.00 C ATOM 1180 CG PRO A 72 -7.206 -18.491 25.101 1.00 0.00 C ATOM 1181 CD PRO A 72 -8.023 -17.506 24.310 1.00 0.00 C ATOM 0 HA PRO A 72 -7.648 -15.911 27.144 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.258 -18.302 27.011 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.010 -18.300 27.076 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.204 -18.590 24.684 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.660 -19.482 25.078 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.667 -17.422 23.283 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.071 -17.802 24.261 1.00 0.00 H new ATOM 1189 N GLU A 73 -5.011 -16.197 25.226 1.00 0.00 N ATOM 1190 CA GLU A 73 -3.633 -15.743 25.082 1.00 0.00 C ATOM 1191 C GLU A 73 -3.266 -15.580 23.610 1.00 0.00 C ATOM 1192 O GLU A 73 -4.111 -15.729 22.728 1.00 0.00 O ATOM 1193 CB GLU A 73 -2.676 -16.730 25.751 1.00 0.00 C ATOM 1194 CG GLU A 73 -2.690 -18.114 25.121 1.00 0.00 C ATOM 1195 CD GLU A 73 -1.372 -18.844 25.290 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -1.104 -19.336 26.406 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -0.608 -18.925 24.304 1.00 0.00 O ATOM 0 H GLU A 73 -5.359 -16.746 24.440 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.543 -14.773 25.571 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.663 -16.329 25.705 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.936 -16.817 26.806 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.489 -18.705 25.569 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.918 -18.024 24.059 1.00 0.00 H new ATOM 1204 N ALA A 74 -1.999 -15.270 23.352 1.00 0.00 N ATOM 1205 CA ALA A 74 -1.520 -15.086 21.989 1.00 0.00 C ATOM 1206 C ALA A 74 -0.989 -16.394 21.412 1.00 0.00 C ATOM 1207 O ALA A 74 0.095 -16.835 21.850 1.00 0.00 O ATOM 1208 CB ALA A 74 -0.442 -14.013 21.948 1.00 0.00 C ATOM 1209 OXT ALA A 74 -1.660 -16.966 20.528 1.00 0.00 O ATOM 0 H ALA A 74 -1.286 -15.141 24.070 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.361 -14.764 21.376 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.093 -13.886 20.923 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.853 -13.071 22.311 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.393 -14.312 22.581 1.00 0.00 H new TER 1215 ALA A 74