USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 28 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0305) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 60:sc= -0.213 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 82:sc= -1.31! USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= -0.146 (180deg=-0.205) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 24 SER OG : rot -12:sc= 0.194 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -0.644 (180deg=-3.08!) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -1.54 (180deg=-3.66!) USER MOD Single : A 48 MET CE :methyl -142:sc= -0.987 (180deg=-2.76!) USER MOD Single : A 52 ASN :FLIP amide:sc= 0.507 F(o=-0.64,f=0.51) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -106:sc= -1.96 (180deg=-5.32!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 92:sc= 1.14 USER MOD Single : A 69 SER OG : rot -68:sc= -0.148! USER MOD Single : A 70 MET CE :methyl -152:sc= -4.04! (180deg=-6.13!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.647 6.171 8.056 1.00 0.00 N ATOM 2 CA MET A 1 -17.147 7.537 7.733 1.00 0.00 C ATOM 3 C MET A 1 -15.626 7.577 7.896 1.00 0.00 C ATOM 4 O MET A 1 -14.886 7.351 6.958 1.00 0.00 O ATOM 5 CB MET A 1 -17.788 8.553 8.682 1.00 0.00 C ATOM 6 CG MET A 1 -18.829 9.377 7.922 1.00 0.00 C ATOM 7 SD MET A 1 -20.478 9.016 8.576 1.00 0.00 S ATOM 8 CE MET A 1 -21.408 9.421 7.078 1.00 0.00 C ATOM 0 H1 MET A 1 -18.681 6.144 7.945 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.212 5.481 7.411 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.398 5.933 9.037 1.00 0.00 H new ATOM 0 HA MET A 1 -17.408 7.785 6.704 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.258 8.038 9.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.024 9.209 9.099 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.611 10.440 8.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.788 9.142 6.858 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.472 9.267 7.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.232 10.463 6.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.081 8.777 6.262 1.00 0.00 H new ATOM 20 N THR A 2 -15.152 7.864 9.077 1.00 0.00 N ATOM 21 CA THR A 2 -13.678 7.919 9.297 1.00 0.00 C ATOM 22 C THR A 2 -13.018 8.670 8.138 1.00 0.00 C ATOM 23 O THR A 2 -12.088 8.188 7.523 1.00 0.00 O ATOM 24 CB THR A 2 -13.118 6.497 9.368 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.973 5.619 8.649 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.035 6.049 10.828 1.00 0.00 C ATOM 0 H THR A 2 -15.721 8.063 9.900 1.00 0.00 H new ATOM 0 HA THR A 2 -13.470 8.438 10.233 1.00 0.00 H new ATOM 0 HB THR A 2 -12.121 6.477 8.929 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.024 5.906 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.636 5.036 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.379 6.724 11.379 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.030 6.068 11.272 1.00 0.00 H new ATOM 34 N PHE A 3 -13.494 9.847 7.835 1.00 0.00 N ATOM 35 CA PHE A 3 -12.895 10.627 6.715 1.00 0.00 C ATOM 36 C PHE A 3 -11.372 10.643 6.861 1.00 0.00 C ATOM 37 O PHE A 3 -10.845 10.671 7.956 1.00 0.00 O ATOM 38 CB PHE A 3 -13.423 12.063 6.754 1.00 0.00 C ATOM 39 CG PHE A 3 -14.891 12.073 6.405 1.00 0.00 C ATOM 40 CD1 PHE A 3 -15.297 11.880 5.078 1.00 0.00 C ATOM 41 CD2 PHE A 3 -15.848 12.274 7.407 1.00 0.00 C ATOM 42 CE1 PHE A 3 -16.659 11.891 4.754 1.00 0.00 C ATOM 43 CE2 PHE A 3 -17.211 12.284 7.082 1.00 0.00 C ATOM 44 CZ PHE A 3 -17.615 12.093 5.757 1.00 0.00 C ATOM 0 H PHE A 3 -14.271 10.302 8.314 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.165 10.164 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.272 12.490 7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.868 12.684 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.559 11.723 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.536 12.421 8.430 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.972 11.744 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.949 12.439 7.855 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.666 12.101 5.507 1.00 0.00 H new ATOM 54 N ILE A 4 -10.660 10.625 5.768 1.00 0.00 N ATOM 55 CA ILE A 4 -9.173 10.640 5.850 1.00 0.00 C ATOM 56 C ILE A 4 -8.616 11.633 4.818 1.00 0.00 C ATOM 57 O ILE A 4 -7.775 11.310 4.003 1.00 0.00 O ATOM 58 CB ILE A 4 -8.643 9.219 5.595 1.00 0.00 C ATOM 59 CG1 ILE A 4 -7.244 9.070 6.211 1.00 0.00 C ATOM 60 CG2 ILE A 4 -8.587 8.929 4.092 1.00 0.00 C ATOM 61 CD1 ILE A 4 -6.225 9.875 5.404 1.00 0.00 C ATOM 0 H ILE A 4 -11.043 10.601 4.823 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.850 10.960 6.841 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.320 8.503 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.255 9.415 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.956 8.019 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.210 7.919 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.587 9.015 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.924 9.646 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.237 9.762 5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.204 9.510 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.507 10.928 5.409 1.00 0.00 H new ATOM 73 N THR A 5 -9.083 12.850 4.850 1.00 0.00 N ATOM 74 CA THR A 5 -8.585 13.864 3.877 1.00 0.00 C ATOM 75 C THR A 5 -8.835 13.368 2.453 1.00 0.00 C ATOM 76 O THR A 5 -7.974 13.442 1.599 1.00 0.00 O ATOM 77 CB THR A 5 -7.084 14.079 4.087 1.00 0.00 C ATOM 78 OG1 THR A 5 -6.697 13.529 5.340 1.00 0.00 O ATOM 79 CG2 THR A 5 -6.774 15.576 4.066 1.00 0.00 C ATOM 0 H THR A 5 -9.787 13.187 5.507 1.00 0.00 H new ATOM 0 HA THR A 5 -9.111 14.806 4.032 1.00 0.00 H new ATOM 0 HB THR A 5 -6.531 13.585 3.288 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.736 13.665 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.705 15.728 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.069 15.995 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.326 16.073 4.863 1.00 0.00 H new ATOM 87 N LYS A 6 -10.008 12.862 2.190 1.00 0.00 N ATOM 88 CA LYS A 6 -10.314 12.360 0.822 1.00 0.00 C ATOM 89 C LYS A 6 -9.368 11.209 0.477 1.00 0.00 C ATOM 90 O LYS A 6 -8.657 10.704 1.322 1.00 0.00 O ATOM 91 CB LYS A 6 -10.134 13.494 -0.190 1.00 0.00 C ATOM 92 CG LYS A 6 -11.506 13.990 -0.649 1.00 0.00 C ATOM 93 CD LYS A 6 -12.115 14.876 0.439 1.00 0.00 C ATOM 94 CE LYS A 6 -13.363 15.571 -0.110 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.992 16.914 -0.638 1.00 0.00 N ATOM 0 H LYS A 6 -10.768 12.775 2.864 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.344 12.004 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.572 14.312 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.557 13.144 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.410 14.551 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.161 13.143 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.374 14.275 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.388 15.618 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.810 14.968 -0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.112 15.671 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.840 17.387 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.585 17.488 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.292 16.806 -1.400 1.00 0.00 H new ATOM 109 N THR A 7 -9.355 10.789 -0.760 1.00 0.00 N ATOM 110 CA THR A 7 -8.458 9.669 -1.161 1.00 0.00 C ATOM 111 C THR A 7 -8.812 8.420 -0.346 1.00 0.00 C ATOM 112 O THR A 7 -9.231 8.521 0.790 1.00 0.00 O ATOM 113 CB THR A 7 -6.996 10.053 -0.903 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.938 11.337 -0.298 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.235 10.080 -2.230 1.00 0.00 C ATOM 0 H THR A 7 -9.928 11.175 -1.510 1.00 0.00 H new ATOM 0 HA THR A 7 -8.590 9.464 -2.223 1.00 0.00 H new ATOM 0 HB THR A 7 -6.542 9.319 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.099 11.252 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.196 10.353 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.276 9.094 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.691 10.812 -2.896 1.00 0.00 H new ATOM 123 N PRO A 8 -8.635 7.277 -0.954 1.00 0.00 N ATOM 124 CA PRO A 8 -8.928 5.984 -0.313 1.00 0.00 C ATOM 125 C PRO A 8 -7.806 5.609 0.662 1.00 0.00 C ATOM 126 O PRO A 8 -6.765 6.236 0.675 1.00 0.00 O ATOM 127 CB PRO A 8 -8.987 5.005 -1.489 1.00 0.00 C ATOM 128 CG PRO A 8 -8.184 5.658 -2.640 1.00 0.00 C ATOM 129 CD PRO A 8 -8.125 7.166 -2.337 1.00 0.00 C ATOM 0 HA PRO A 8 -9.848 5.990 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.558 4.041 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.018 4.821 -1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.181 5.236 -2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.665 5.475 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.108 7.549 -2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.738 7.737 -3.035 1.00 0.00 H new ATOM 137 N PRO A 9 -8.055 4.596 1.452 1.00 0.00 N ATOM 138 CA PRO A 9 -7.083 4.112 2.447 1.00 0.00 C ATOM 139 C PRO A 9 -6.009 3.254 1.767 1.00 0.00 C ATOM 140 O PRO A 9 -6.241 2.659 0.735 1.00 0.00 O ATOM 141 CB PRO A 9 -7.937 3.269 3.400 1.00 0.00 C ATOM 142 CG PRO A 9 -9.199 2.854 2.606 1.00 0.00 C ATOM 143 CD PRO A 9 -9.324 3.840 1.428 1.00 0.00 C ATOM 0 HA PRO A 9 -6.552 4.915 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.387 2.392 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.207 3.841 4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.110 1.829 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.085 2.893 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.457 3.315 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.183 4.500 1.550 1.00 0.00 H new ATOM 151 N ALA A 10 -4.837 3.186 2.337 1.00 0.00 N ATOM 152 CA ALA A 10 -3.760 2.363 1.717 1.00 0.00 C ATOM 153 C ALA A 10 -4.019 0.884 2.010 1.00 0.00 C ATOM 154 O ALA A 10 -3.321 0.013 1.532 1.00 0.00 O ATOM 155 CB ALA A 10 -2.404 2.771 2.297 1.00 0.00 C ATOM 0 H ALA A 10 -4.579 3.662 3.201 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.754 2.525 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.618 2.168 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.221 3.825 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.406 2.611 3.375 1.00 0.00 H new ATOM 161 N ALA A 11 -5.020 0.590 2.795 1.00 0.00 N ATOM 162 CA ALA A 11 -5.321 -0.834 3.114 1.00 0.00 C ATOM 163 C ALA A 11 -6.307 -1.390 2.087 1.00 0.00 C ATOM 164 O ALA A 11 -6.923 -2.417 2.296 1.00 0.00 O ATOM 165 CB ALA A 11 -5.936 -0.923 4.511 1.00 0.00 C ATOM 0 H ALA A 11 -5.641 1.273 3.228 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.400 -1.416 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.157 -1.964 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.233 -0.527 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.857 -0.341 4.541 1.00 0.00 H new ATOM 171 N VAL A 12 -6.469 -0.718 0.980 1.00 0.00 N ATOM 172 CA VAL A 12 -7.423 -1.208 -0.051 1.00 0.00 C ATOM 173 C VAL A 12 -6.776 -1.137 -1.439 1.00 0.00 C ATOM 174 O VAL A 12 -7.045 -1.954 -2.297 1.00 0.00 O ATOM 175 CB VAL A 12 -8.675 -0.331 -0.025 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.274 1.135 -0.172 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.597 -0.723 -1.176 1.00 0.00 C ATOM 0 H VAL A 12 -5.982 0.147 0.747 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.689 -2.243 0.162 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.196 -0.472 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.167 1.760 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.617 1.417 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.752 1.276 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.489 -0.097 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.076 -0.583 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.885 -1.769 -1.071 1.00 0.00 H new ATOM 187 N LEU A 13 -5.931 -0.170 -1.668 1.00 0.00 N ATOM 188 CA LEU A 13 -5.278 -0.054 -3.004 1.00 0.00 C ATOM 189 C LEU A 13 -4.082 -1.002 -3.079 1.00 0.00 C ATOM 190 O LEU A 13 -3.834 -1.623 -4.093 1.00 0.00 O ATOM 191 CB LEU A 13 -4.794 1.381 -3.213 1.00 0.00 C ATOM 192 CG LEU A 13 -5.971 2.345 -3.072 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.478 3.661 -2.469 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.575 2.612 -4.452 1.00 0.00 C ATOM 0 H LEU A 13 -5.664 0.544 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.999 -0.316 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.022 1.625 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.343 1.483 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.728 1.907 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.316 4.351 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.043 3.471 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.724 4.100 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.415 3.300 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.819 3.053 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.922 1.674 -4.885 1.00 0.00 H new ATOM 206 N LEU A 14 -3.334 -1.120 -2.018 1.00 0.00 N ATOM 207 CA LEU A 14 -2.156 -2.029 -2.043 1.00 0.00 C ATOM 208 C LEU A 14 -2.634 -3.463 -2.264 1.00 0.00 C ATOM 209 O LEU A 14 -2.272 -4.104 -3.231 1.00 0.00 O ATOM 210 CB LEU A 14 -1.403 -1.921 -0.718 1.00 0.00 C ATOM 211 CG LEU A 14 -1.135 -0.445 -0.412 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.136 -0.331 0.738 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.555 0.239 -1.655 1.00 0.00 C ATOM 0 H LEU A 14 -3.487 -0.628 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.485 -1.747 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.988 -2.371 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.463 -2.470 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.070 0.039 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.053 0.721 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.545 -0.815 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.798 -0.817 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.364 1.290 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.379 -0.248 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.266 0.163 -2.478 1.00 0.00 H new ATOM 225 N LYS A 15 -3.455 -3.971 -1.388 1.00 0.00 N ATOM 226 CA LYS A 15 -3.962 -5.359 -1.575 1.00 0.00 C ATOM 227 C LYS A 15 -4.517 -5.491 -2.995 1.00 0.00 C ATOM 228 O LYS A 15 -4.528 -6.559 -3.573 1.00 0.00 O ATOM 229 CB LYS A 15 -5.078 -5.638 -0.566 1.00 0.00 C ATOM 230 CG LYS A 15 -4.486 -6.279 0.689 1.00 0.00 C ATOM 231 CD LYS A 15 -5.499 -6.194 1.832 1.00 0.00 C ATOM 232 CE LYS A 15 -6.210 -7.540 1.983 1.00 0.00 C ATOM 233 NZ LYS A 15 -5.879 -8.128 3.313 1.00 0.00 N ATOM 0 H LYS A 15 -3.795 -3.489 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.153 -6.073 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.588 -4.710 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.824 -6.299 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.230 -7.320 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.563 -5.771 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.994 -5.931 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.226 -5.407 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.288 -7.407 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.902 -8.218 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.320 -9.066 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.847 -8.221 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.239 -7.507 4.066 1.00 0.00 H new ATOM 247 N LYS A 16 -4.976 -4.405 -3.558 1.00 0.00 N ATOM 248 CA LYS A 16 -5.531 -4.452 -4.940 1.00 0.00 C ATOM 249 C LYS A 16 -4.425 -4.839 -5.922 1.00 0.00 C ATOM 250 O LYS A 16 -4.562 -5.769 -6.694 1.00 0.00 O ATOM 251 CB LYS A 16 -6.085 -3.074 -5.314 1.00 0.00 C ATOM 252 CG LYS A 16 -6.829 -3.163 -6.647 1.00 0.00 C ATOM 253 CD LYS A 16 -6.872 -1.778 -7.299 1.00 0.00 C ATOM 254 CE LYS A 16 -6.149 -1.823 -8.646 1.00 0.00 C ATOM 255 NZ LYS A 16 -5.687 -0.452 -9.008 1.00 0.00 N ATOM 0 H LYS A 16 -4.990 -3.485 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.331 -5.191 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.758 -2.718 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.272 -2.352 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.331 -3.873 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.842 -3.533 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.906 -1.463 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.401 -1.043 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.298 -2.503 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.817 -2.209 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.195 -0.482 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.507 0.184 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.036 -0.101 -8.277 1.00 0.00 H new ATOM 269 N ALA A 17 -3.328 -4.133 -5.901 1.00 0.00 N ATOM 270 CA ALA A 17 -2.213 -4.458 -6.834 1.00 0.00 C ATOM 271 C ALA A 17 -1.991 -5.971 -6.861 1.00 0.00 C ATOM 272 O ALA A 17 -2.322 -6.640 -7.820 1.00 0.00 O ATOM 273 CB ALA A 17 -0.934 -3.762 -6.362 1.00 0.00 C ATOM 0 H ALA A 17 -3.156 -3.344 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.467 -4.112 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.118 -3.999 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.091 -2.684 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.681 -4.107 -5.359 1.00 0.00 H new ATOM 279 N ALA A 18 -1.433 -6.517 -5.816 1.00 0.00 N ATOM 280 CA ALA A 18 -1.190 -7.987 -5.783 1.00 0.00 C ATOM 281 C ALA A 18 -2.452 -8.725 -6.235 1.00 0.00 C ATOM 282 O ALA A 18 -2.524 -9.236 -7.334 1.00 0.00 O ATOM 283 CB ALA A 18 -0.838 -8.414 -4.357 1.00 0.00 C ATOM 0 H ALA A 18 -1.135 -6.009 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.365 -8.232 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.660 -9.489 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.061 -7.890 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.663 -8.167 -3.689 1.00 0.00 H new ATOM 289 N GLY A 19 -3.444 -8.784 -5.391 1.00 0.00 N ATOM 290 CA GLY A 19 -4.701 -9.491 -5.764 1.00 0.00 C ATOM 291 C GLY A 19 -5.011 -10.555 -4.712 1.00 0.00 C ATOM 292 O GLY A 19 -4.898 -11.740 -4.961 1.00 0.00 O ATOM 0 H GLY A 19 -3.439 -8.373 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.525 -8.781 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.595 -9.953 -6.745 1.00 0.00 H new ATOM 296 N ILE A 20 -5.398 -10.144 -3.536 1.00 0.00 N ATOM 297 CA ILE A 20 -5.711 -11.134 -2.465 1.00 0.00 C ATOM 298 C ILE A 20 -7.011 -10.731 -1.766 1.00 0.00 C ATOM 299 O ILE A 20 -7.167 -10.917 -0.575 1.00 0.00 O ATOM 300 CB ILE A 20 -4.572 -11.169 -1.436 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.272 -10.669 -2.075 1.00 0.00 C ATOM 302 CG2 ILE A 20 -4.374 -12.605 -0.947 1.00 0.00 C ATOM 303 CD1 ILE A 20 -3.192 -9.147 -1.940 1.00 0.00 C ATOM 0 H ILE A 20 -5.511 -9.166 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.822 -12.122 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.830 -10.524 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.413 -11.134 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.237 -10.954 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.566 -12.632 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.294 -12.962 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.121 -13.245 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.268 -8.790 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.044 -8.692 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.207 -8.874 -0.885 1.00 0.00 H new ATOM 315 N GLU A 21 -7.943 -10.177 -2.492 1.00 0.00 N ATOM 316 CA GLU A 21 -9.228 -9.761 -1.860 1.00 0.00 C ATOM 317 C GLU A 21 -10.405 -10.274 -2.695 1.00 0.00 C ATOM 318 O GLU A 21 -10.341 -10.334 -3.906 1.00 0.00 O ATOM 319 CB GLU A 21 -9.287 -8.234 -1.783 1.00 0.00 C ATOM 320 CG GLU A 21 -8.619 -7.634 -3.022 1.00 0.00 C ATOM 321 CD GLU A 21 -8.815 -6.117 -3.027 1.00 0.00 C ATOM 322 OE1 GLU A 21 -9.933 -5.684 -3.250 1.00 0.00 O ATOM 323 OE2 GLU A 21 -7.842 -5.414 -2.808 1.00 0.00 O ATOM 0 H GLU A 21 -7.871 -9.995 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.288 -10.181 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.323 -7.902 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.784 -7.885 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.556 -7.873 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.047 -8.069 -3.925 1.00 0.00 H new ATOM 330 N SER A 22 -11.481 -10.641 -2.054 1.00 0.00 N ATOM 331 CA SER A 22 -12.664 -11.146 -2.808 1.00 0.00 C ATOM 332 C SER A 22 -13.935 -10.508 -2.244 1.00 0.00 C ATOM 333 O SER A 22 -14.850 -10.175 -2.972 1.00 0.00 O ATOM 334 CB SER A 22 -12.750 -12.666 -2.666 1.00 0.00 C ATOM 335 OG SER A 22 -12.930 -13.001 -1.296 1.00 0.00 O ATOM 0 H SER A 22 -11.592 -10.613 -1.040 1.00 0.00 H new ATOM 0 HA SER A 22 -12.562 -10.886 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.580 -13.052 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.842 -13.130 -3.049 1.00 0.00 H new ATOM 0 HG SER A 22 -12.987 -13.975 -1.202 1.00 0.00 H new ATOM 341 N GLY A 23 -14.001 -10.332 -0.952 1.00 0.00 N ATOM 342 CA GLY A 23 -15.213 -9.713 -0.345 1.00 0.00 C ATOM 343 C GLY A 23 -15.479 -10.335 1.027 1.00 0.00 C ATOM 344 O GLY A 23 -15.623 -11.535 1.159 1.00 0.00 O ATOM 0 H GLY A 23 -13.268 -10.590 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.072 -8.637 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.074 -9.863 -0.996 1.00 0.00 H new ATOM 348 N SER A 24 -15.549 -9.528 2.051 1.00 0.00 N ATOM 349 CA SER A 24 -15.808 -10.073 3.413 1.00 0.00 C ATOM 350 C SER A 24 -14.774 -11.152 3.738 1.00 0.00 C ATOM 351 O SER A 24 -15.061 -12.332 3.694 1.00 0.00 O ATOM 352 CB SER A 24 -17.211 -10.680 3.460 1.00 0.00 C ATOM 353 OG SER A 24 -17.617 -10.820 4.814 1.00 0.00 O ATOM 0 H SER A 24 -15.438 -8.515 2.003 1.00 0.00 H new ATOM 0 HA SER A 24 -15.734 -9.269 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.913 -10.043 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.216 -11.651 2.964 1.00 0.00 H new ATOM 0 HG SER A 24 -16.847 -10.674 5.403 1.00 0.00 H new ATOM 359 N GLY A 25 -13.574 -10.759 4.066 1.00 0.00 N ATOM 360 CA GLY A 25 -12.524 -11.765 4.393 1.00 0.00 C ATOM 361 C GLY A 25 -12.452 -11.956 5.909 1.00 0.00 C ATOM 362 O GLY A 25 -11.394 -12.161 6.469 1.00 0.00 O ATOM 0 H GLY A 25 -13.275 -9.785 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.751 -12.714 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.558 -11.435 4.011 1.00 0.00 H new ATOM 366 N GLU A 26 -13.571 -11.892 6.576 1.00 0.00 N ATOM 367 CA GLU A 26 -13.567 -12.070 8.054 1.00 0.00 C ATOM 368 C GLU A 26 -12.760 -13.320 8.429 1.00 0.00 C ATOM 369 O GLU A 26 -11.894 -13.258 9.279 1.00 0.00 O ATOM 370 CB GLU A 26 -15.007 -12.209 8.556 1.00 0.00 C ATOM 371 CG GLU A 26 -15.491 -10.859 9.086 1.00 0.00 C ATOM 372 CD GLU A 26 -16.941 -10.630 8.652 1.00 0.00 C ATOM 373 OE1 GLU A 26 -17.232 -10.856 7.490 1.00 0.00 O ATOM 374 OE2 GLU A 26 -17.734 -10.233 9.489 1.00 0.00 O ATOM 0 H GLU A 26 -14.488 -11.724 6.161 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.105 -11.200 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.655 -12.548 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.059 -12.961 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.418 -10.836 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.856 -10.059 8.707 1.00 0.00 H new ATOM 381 N PRO A 27 -13.063 -14.420 7.783 1.00 0.00 N ATOM 382 CA PRO A 27 -12.371 -15.698 8.036 1.00 0.00 C ATOM 383 C PRO A 27 -11.007 -15.716 7.340 1.00 0.00 C ATOM 384 O PRO A 27 -10.917 -15.721 6.128 1.00 0.00 O ATOM 385 CB PRO A 27 -13.309 -16.740 7.425 1.00 0.00 C ATOM 386 CG PRO A 27 -14.173 -15.993 6.381 1.00 0.00 C ATOM 387 CD PRO A 27 -14.115 -14.498 6.749 1.00 0.00 C ATOM 0 HA PRO A 27 -12.173 -15.877 9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.743 -17.545 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.935 -17.196 8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.792 -16.159 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.201 -16.356 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.868 -13.884 5.883 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.073 -14.144 7.128 1.00 0.00 H new ATOM 395 N ASN A 28 -9.944 -15.725 8.098 1.00 0.00 N ATOM 396 CA ASN A 28 -8.589 -15.742 7.480 1.00 0.00 C ATOM 397 C ASN A 28 -7.881 -17.048 7.843 1.00 0.00 C ATOM 398 O ASN A 28 -7.928 -17.498 8.970 1.00 0.00 O ATOM 399 CB ASN A 28 -7.775 -14.556 8.003 1.00 0.00 C ATOM 400 CG ASN A 28 -6.425 -14.506 7.285 1.00 0.00 C ATOM 401 OD1 ASN A 28 -6.370 -14.468 6.073 1.00 0.00 O ATOM 402 ND2 ASN A 28 -5.325 -14.504 7.989 1.00 0.00 N ATOM 0 H ASN A 28 -9.956 -15.721 9.118 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.682 -15.668 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.320 -13.627 7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.624 -14.651 9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.420 -14.470 7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.371 -14.536 9.007 1.00 0.00 H new ATOM 409 N ARG A 29 -7.224 -17.662 6.897 1.00 0.00 N ATOM 410 CA ARG A 29 -6.515 -18.938 7.191 1.00 0.00 C ATOM 411 C ARG A 29 -5.058 -18.830 6.736 1.00 0.00 C ATOM 412 O ARG A 29 -4.194 -18.410 7.480 1.00 0.00 O ATOM 413 CB ARG A 29 -7.199 -20.086 6.447 1.00 0.00 C ATOM 414 CG ARG A 29 -6.368 -21.362 6.598 1.00 0.00 C ATOM 415 CD ARG A 29 -7.299 -22.576 6.643 1.00 0.00 C ATOM 416 NE ARG A 29 -8.201 -22.466 7.824 1.00 0.00 N ATOM 417 CZ ARG A 29 -9.456 -22.803 7.719 1.00 0.00 C ATOM 418 NH1 ARG A 29 -9.780 -23.987 7.277 1.00 0.00 N ATOM 419 NH2 ARG A 29 -10.389 -21.955 8.057 1.00 0.00 N ATOM 0 H ARG A 29 -7.148 -17.335 5.934 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.546 -19.131 8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.202 -20.244 6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.310 -19.835 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.671 -21.456 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.771 -21.314 7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.887 -22.631 5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.714 -23.494 6.702 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.837 -22.127 8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.051 -24.650 7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.762 -24.250 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.136 -21.029 8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.371 -22.218 7.975 1.00 0.00 H new ATOM 433 N ASN A 30 -4.778 -19.203 5.517 1.00 0.00 N ATOM 434 CA ASN A 30 -3.378 -19.120 5.016 1.00 0.00 C ATOM 435 C ASN A 30 -3.372 -18.506 3.614 1.00 0.00 C ATOM 436 O ASN A 30 -3.435 -19.201 2.619 1.00 0.00 O ATOM 437 CB ASN A 30 -2.769 -20.522 4.962 1.00 0.00 C ATOM 438 CG ASN A 30 -1.445 -20.533 5.729 1.00 0.00 C ATOM 439 OD1 ASN A 30 -0.507 -19.858 5.353 1.00 0.00 O ATOM 440 ND2 ASN A 30 -1.327 -21.276 6.795 1.00 0.00 N ATOM 0 H ASN A 30 -5.458 -19.561 4.847 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.790 -18.495 5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.459 -21.247 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.604 -20.819 3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.448 -21.290 7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.114 -21.843 7.111 1.00 0.00 H new ATOM 447 N LYS A 31 -3.296 -17.206 3.528 1.00 0.00 N ATOM 448 CA LYS A 31 -3.284 -16.545 2.193 1.00 0.00 C ATOM 449 C LYS A 31 -2.200 -15.466 2.173 1.00 0.00 C ATOM 450 O LYS A 31 -2.268 -14.493 2.897 1.00 0.00 O ATOM 451 CB LYS A 31 -4.648 -15.904 1.929 1.00 0.00 C ATOM 452 CG LYS A 31 -5.703 -16.999 1.759 1.00 0.00 C ATOM 453 CD LYS A 31 -7.098 -16.379 1.824 1.00 0.00 C ATOM 454 CE LYS A 31 -7.521 -16.225 3.286 1.00 0.00 C ATOM 455 NZ LYS A 31 -8.723 -15.348 3.364 1.00 0.00 N ATOM 0 H LYS A 31 -3.242 -16.573 4.326 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.076 -17.285 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.920 -15.248 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.603 -15.285 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.564 -17.508 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.591 -17.751 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.099 -15.407 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.812 -17.008 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.741 -17.202 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.706 -15.796 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.842 -15.008 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.602 -14.535 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.566 -15.888 3.080 1.00 0.00 H new ATOM 469 N VAL A 32 -1.199 -15.630 1.353 1.00 0.00 N ATOM 470 CA VAL A 32 -0.114 -14.610 1.295 1.00 0.00 C ATOM 471 C VAL A 32 0.108 -14.175 -0.157 1.00 0.00 C ATOM 472 O VAL A 32 -0.433 -14.750 -1.079 1.00 0.00 O ATOM 473 CB VAL A 32 1.179 -15.209 1.855 1.00 0.00 C ATOM 474 CG1 VAL A 32 1.771 -16.195 0.844 1.00 0.00 C ATOM 475 CG2 VAL A 32 2.186 -14.086 2.120 1.00 0.00 C ATOM 0 H VAL A 32 -1.085 -16.424 0.722 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.400 -13.743 1.890 1.00 0.00 H new ATOM 0 HB VAL A 32 0.961 -15.733 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.691 -16.619 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.055 -16.995 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.989 -15.674 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.107 -14.510 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.401 -13.563 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.767 -13.385 2.842 1.00 0.00 H new ATOM 485 N ALA A 33 0.905 -13.162 -0.362 1.00 0.00 N ATOM 486 CA ALA A 33 1.170 -12.685 -1.749 1.00 0.00 C ATOM 487 C ALA A 33 2.335 -11.693 -1.723 1.00 0.00 C ATOM 488 O ALA A 33 2.507 -10.951 -0.778 1.00 0.00 O ATOM 489 CB ALA A 33 -0.080 -11.992 -2.298 1.00 0.00 C ATOM 0 H ALA A 33 1.385 -12.643 0.373 1.00 0.00 H new ATOM 0 HA ALA A 33 1.423 -13.532 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.113 -11.643 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.911 -12.697 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.333 -11.142 -1.664 1.00 0.00 H new ATOM 495 N THR A 34 3.140 -11.677 -2.750 1.00 0.00 N ATOM 496 CA THR A 34 4.292 -10.733 -2.773 1.00 0.00 C ATOM 497 C THR A 34 3.982 -9.563 -3.708 1.00 0.00 C ATOM 498 O THR A 34 3.316 -9.718 -4.712 1.00 0.00 O ATOM 499 CB THR A 34 5.545 -11.460 -3.269 1.00 0.00 C ATOM 500 OG1 THR A 34 5.160 -12.605 -4.015 1.00 0.00 O ATOM 501 CG2 THR A 34 6.394 -11.890 -2.074 1.00 0.00 C ATOM 0 H THR A 34 3.050 -12.275 -3.571 1.00 0.00 H new ATOM 0 HA THR A 34 4.465 -10.356 -1.765 1.00 0.00 H new ATOM 0 HB THR A 34 6.127 -10.791 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.960 -13.071 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.286 -12.407 -2.428 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.688 -11.010 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.815 -12.560 -1.438 1.00 0.00 H new ATOM 509 N ILE A 35 4.463 -8.395 -3.385 1.00 0.00 N ATOM 510 CA ILE A 35 4.200 -7.213 -4.255 1.00 0.00 C ATOM 511 C ILE A 35 5.523 -6.539 -4.617 1.00 0.00 C ATOM 512 O ILE A 35 6.374 -6.333 -3.777 1.00 0.00 O ATOM 513 CB ILE A 35 3.316 -6.213 -3.512 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.965 -6.862 -3.193 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.094 -4.982 -4.395 1.00 0.00 C ATOM 516 CD1 ILE A 35 0.964 -5.786 -2.766 1.00 0.00 C ATOM 0 H ILE A 35 5.027 -8.207 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 35 3.695 -7.543 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 35 3.803 -5.915 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.591 -7.394 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.083 -7.599 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.463 -4.266 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.055 -4.520 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.606 -5.282 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.004 -6.251 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.337 -5.274 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.837 -5.066 -3.574 1.00 0.00 H new ATOM 528 N LYS A 36 5.700 -6.188 -5.861 1.00 0.00 N ATOM 529 CA LYS A 36 6.967 -5.521 -6.272 1.00 0.00 C ATOM 530 C LYS A 36 6.998 -4.100 -5.703 1.00 0.00 C ATOM 531 O LYS A 36 5.972 -3.513 -5.419 1.00 0.00 O ATOM 532 CB LYS A 36 7.038 -5.457 -7.799 1.00 0.00 C ATOM 533 CG LYS A 36 7.013 -6.875 -8.373 1.00 0.00 C ATOM 534 CD LYS A 36 8.285 -7.119 -9.189 1.00 0.00 C ATOM 535 CE LYS A 36 8.626 -8.609 -9.168 1.00 0.00 C ATOM 536 NZ LYS A 36 9.534 -8.894 -8.022 1.00 0.00 N ATOM 0 H LYS A 36 5.023 -6.334 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 36 7.817 -6.087 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.198 -4.881 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.948 -4.944 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.941 -7.604 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.133 -7.008 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.141 -6.782 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.111 -6.540 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.715 -9.200 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.103 -8.897 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.766 -9.908 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.408 -8.340 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.062 -8.634 -7.132 1.00 0.00 H new ATOM 550 N ARG A 37 8.165 -3.539 -5.541 1.00 0.00 N ATOM 551 CA ARG A 37 8.257 -2.157 -4.999 1.00 0.00 C ATOM 552 C ARG A 37 7.915 -1.170 -6.111 1.00 0.00 C ATOM 553 O ARG A 37 7.424 -0.086 -5.870 1.00 0.00 O ATOM 554 CB ARG A 37 9.681 -1.894 -4.513 1.00 0.00 C ATOM 555 CG ARG A 37 9.638 -1.103 -3.206 1.00 0.00 C ATOM 556 CD ARG A 37 9.128 -1.999 -2.075 1.00 0.00 C ATOM 557 NE ARG A 37 10.209 -2.180 -1.064 1.00 0.00 N ATOM 558 CZ ARG A 37 10.402 -1.273 -0.146 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.430 -0.010 -0.472 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.568 -1.628 1.098 1.00 0.00 N ATOM 0 H ARG A 37 9.058 -3.979 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 37 7.563 -2.039 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.205 -2.838 -4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.237 -1.338 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.632 -0.727 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.988 -0.235 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.250 -1.552 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.820 -2.966 -2.472 1.00 0.00 H new ATOM 0 HE ARG A 37 10.798 -3.013 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.301 0.269 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.581 0.699 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.547 -2.615 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.719 -0.918 1.815 1.00 0.00 H new ATOM 574 N ASP A 38 8.177 -1.541 -7.331 1.00 0.00 N ATOM 575 CA ASP A 38 7.871 -0.630 -8.467 1.00 0.00 C ATOM 576 C ASP A 38 6.361 -0.390 -8.532 1.00 0.00 C ATOM 577 O ASP A 38 5.895 0.527 -9.178 1.00 0.00 O ATOM 578 CB ASP A 38 8.343 -1.266 -9.776 1.00 0.00 C ATOM 579 CG ASP A 38 9.839 -1.006 -9.962 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.482 -0.646 -8.989 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.315 -1.170 -11.072 1.00 0.00 O ATOM 0 H ASP A 38 8.590 -2.436 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 38 8.386 0.319 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.149 -2.338 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.784 -0.852 -10.615 1.00 0.00 H new ATOM 586 N LYS A 39 5.593 -1.212 -7.869 1.00 0.00 N ATOM 587 CA LYS A 39 4.113 -1.037 -7.895 1.00 0.00 C ATOM 588 C LYS A 39 3.641 -0.412 -6.580 1.00 0.00 C ATOM 589 O LYS A 39 2.987 0.612 -6.567 1.00 0.00 O ATOM 590 CB LYS A 39 3.443 -2.402 -8.075 1.00 0.00 C ATOM 591 CG LYS A 39 3.028 -2.583 -9.537 1.00 0.00 C ATOM 592 CD LYS A 39 1.606 -2.053 -9.734 1.00 0.00 C ATOM 593 CE LYS A 39 1.648 -0.784 -10.589 1.00 0.00 C ATOM 594 NZ LYS A 39 1.734 0.411 -9.701 1.00 0.00 N ATOM 0 H LYS A 39 5.927 -1.997 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 39 3.843 -0.382 -8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.129 -3.196 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.570 -2.478 -7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.719 -2.051 -10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.076 -3.637 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.988 -2.810 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.149 -1.838 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.506 -0.814 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.756 -0.723 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.886 0.999 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.797 0.103 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.579 0.965 -9.946 1.00 0.00 H new ATOM 608 N VAL A 40 3.960 -1.026 -5.473 1.00 0.00 N ATOM 609 CA VAL A 40 3.519 -0.473 -4.162 1.00 0.00 C ATOM 610 C VAL A 40 4.111 0.933 -3.983 1.00 0.00 C ATOM 611 O VAL A 40 3.417 1.875 -3.656 1.00 0.00 O ATOM 612 CB VAL A 40 3.983 -1.421 -3.033 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.230 -0.877 -2.321 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.851 -1.597 -2.020 1.00 0.00 C ATOM 0 H VAL A 40 4.506 -1.886 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 40 2.432 -0.396 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 40 4.240 -2.382 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.529 -1.568 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.043 -0.772 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.004 0.096 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.177 -2.265 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.588 -0.628 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.980 -2.023 -2.518 1.00 0.00 H new ATOM 624 N ARG A 41 5.391 1.075 -4.200 1.00 0.00 N ATOM 625 CA ARG A 41 6.037 2.410 -4.047 1.00 0.00 C ATOM 626 C ARG A 41 5.308 3.437 -4.916 1.00 0.00 C ATOM 627 O ARG A 41 4.817 4.437 -4.430 1.00 0.00 O ATOM 628 CB ARG A 41 7.502 2.316 -4.484 1.00 0.00 C ATOM 629 CG ARG A 41 8.216 3.635 -4.177 1.00 0.00 C ATOM 630 CD ARG A 41 8.933 4.133 -5.434 1.00 0.00 C ATOM 631 NE ARG A 41 10.396 4.235 -5.167 1.00 0.00 N ATOM 632 CZ ARG A 41 11.184 4.797 -6.045 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.705 5.204 -7.190 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.452 4.955 -5.776 1.00 0.00 N ATOM 0 H ARG A 41 6.019 0.321 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 41 5.986 2.722 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.995 1.495 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.561 2.099 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.496 4.380 -3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.933 3.493 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.751 3.450 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.538 5.105 -5.729 1.00 0.00 H new ATOM 0 HE ARG A 41 10.782 3.866 -4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.714 5.083 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.322 5.642 -7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.827 4.640 -4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.068 5.394 -6.461 1.00 0.00 H new ATOM 648 N GLU A 42 5.235 3.204 -6.198 1.00 0.00 N ATOM 649 CA GLU A 42 4.538 4.170 -7.092 1.00 0.00 C ATOM 650 C GLU A 42 3.207 4.584 -6.461 1.00 0.00 C ATOM 651 O GLU A 42 2.782 5.716 -6.572 1.00 0.00 O ATOM 652 CB GLU A 42 4.276 3.514 -8.449 1.00 0.00 C ATOM 653 CG GLU A 42 3.776 4.568 -9.440 1.00 0.00 C ATOM 654 CD GLU A 42 2.363 4.208 -9.902 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.243 3.380 -10.792 1.00 0.00 O ATOM 656 OE2 GLU A 42 1.422 4.764 -9.360 1.00 0.00 O ATOM 0 H GLU A 42 5.628 2.386 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 42 5.164 5.052 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.190 3.052 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.537 2.720 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.777 5.552 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.447 4.623 -10.297 1.00 0.00 H new ATOM 663 N ILE A 43 2.542 3.674 -5.800 1.00 0.00 N ATOM 664 CA ILE A 43 1.237 4.017 -5.167 1.00 0.00 C ATOM 665 C ILE A 43 1.454 5.071 -4.079 1.00 0.00 C ATOM 666 O ILE A 43 0.847 6.123 -4.093 1.00 0.00 O ATOM 667 CB ILE A 43 0.624 2.761 -4.544 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.311 1.746 -5.647 1.00 0.00 C ATOM 669 CG2 ILE A 43 -0.668 3.132 -3.816 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.038 0.400 -5.012 1.00 0.00 C ATOM 0 H ILE A 43 2.846 2.709 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 43 0.562 4.413 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 43 1.329 2.326 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.520 2.100 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.169 1.636 -6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.105 2.238 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.449 3.856 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.373 3.567 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.261 -0.325 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.807 0.047 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.909 0.517 -4.367 1.00 0.00 H new ATOM 682 N ALA A 44 2.313 4.799 -3.135 1.00 0.00 N ATOM 683 CA ALA A 44 2.561 5.788 -2.049 1.00 0.00 C ATOM 684 C ALA A 44 2.857 7.160 -2.664 1.00 0.00 C ATOM 685 O ALA A 44 2.334 8.169 -2.234 1.00 0.00 O ATOM 686 CB ALA A 44 3.752 5.332 -1.203 1.00 0.00 C ATOM 0 H ALA A 44 2.853 3.936 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 44 1.677 5.861 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.933 6.056 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.535 4.358 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.638 5.256 -1.833 1.00 0.00 H new ATOM 692 N GLU A 45 3.689 7.208 -3.670 1.00 0.00 N ATOM 693 CA GLU A 45 4.010 8.516 -4.308 1.00 0.00 C ATOM 694 C GLU A 45 2.729 9.146 -4.859 1.00 0.00 C ATOM 695 O GLU A 45 2.531 10.342 -4.777 1.00 0.00 O ATOM 696 CB GLU A 45 5.001 8.297 -5.454 1.00 0.00 C ATOM 697 CG GLU A 45 6.427 8.506 -4.942 1.00 0.00 C ATOM 698 CD GLU A 45 7.339 8.890 -6.109 1.00 0.00 C ATOM 699 OE1 GLU A 45 7.026 9.855 -6.787 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.336 8.214 -6.303 1.00 0.00 O ATOM 0 H GLU A 45 4.159 6.399 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 45 4.452 9.180 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.892 7.290 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.790 8.990 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.441 9.289 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.791 7.595 -4.467 1.00 0.00 H new ATOM 707 N LEU A 46 1.857 8.353 -5.420 1.00 0.00 N ATOM 708 CA LEU A 46 0.591 8.914 -5.975 1.00 0.00 C ATOM 709 C LEU A 46 -0.189 9.611 -4.859 1.00 0.00 C ATOM 710 O LEU A 46 -0.689 10.705 -5.026 1.00 0.00 O ATOM 711 CB LEU A 46 -0.257 7.783 -6.562 1.00 0.00 C ATOM 712 CG LEU A 46 -0.464 8.025 -8.059 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.056 6.769 -8.702 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.424 9.200 -8.257 1.00 0.00 C ATOM 0 H LEU A 46 1.965 7.344 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 46 0.826 9.634 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.236 6.824 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.220 7.735 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 46 0.494 8.255 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.204 6.941 -9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.373 5.931 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.014 6.539 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.572 9.373 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.382 8.970 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.003 10.095 -7.799 1.00 0.00 H new ATOM 726 N LYS A 47 -0.294 8.986 -3.717 1.00 0.00 N ATOM 727 CA LYS A 47 -1.039 9.615 -2.590 1.00 0.00 C ATOM 728 C LYS A 47 -0.069 10.428 -1.733 1.00 0.00 C ATOM 729 O LYS A 47 -0.270 10.605 -0.547 1.00 0.00 O ATOM 730 CB LYS A 47 -1.683 8.524 -1.733 1.00 0.00 C ATOM 731 CG LYS A 47 -2.742 7.785 -2.554 1.00 0.00 C ATOM 732 CD LYS A 47 -2.382 6.301 -2.631 1.00 0.00 C ATOM 733 CE LYS A 47 -2.667 5.637 -1.282 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.443 5.688 -0.434 1.00 0.00 N ATOM 0 H LYS A 47 0.104 8.068 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.814 10.271 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.923 7.824 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.138 8.965 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.724 7.909 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.801 8.208 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.961 5.816 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.330 6.184 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.491 6.146 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.975 4.602 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.486 4.936 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.602 5.550 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.386 6.613 0.037 1.00 0.00 H new ATOM 748 N MET A 48 0.983 10.927 -2.324 1.00 0.00 N ATOM 749 CA MET A 48 1.967 11.729 -1.546 1.00 0.00 C ATOM 750 C MET A 48 1.291 13.005 -1.012 1.00 0.00 C ATOM 751 O MET A 48 1.425 13.321 0.153 1.00 0.00 O ATOM 752 CB MET A 48 3.167 12.081 -2.443 1.00 0.00 C ATOM 753 CG MET A 48 3.858 13.353 -1.940 1.00 0.00 C ATOM 754 SD MET A 48 5.652 13.140 -2.030 1.00 0.00 S ATOM 755 CE MET A 48 6.024 13.608 -0.323 1.00 0.00 C ATOM 0 H MET A 48 1.203 10.813 -3.314 1.00 0.00 H new ATOM 0 HA MET A 48 2.326 11.148 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.877 11.254 -2.452 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.831 12.224 -3.470 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.552 14.208 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.557 13.562 -0.913 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.950 14.183 -0.297 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.209 14.214 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.137 12.710 0.284 1.00 0.00 H new ATOM 765 N PRO A 49 0.584 13.704 -1.870 1.00 0.00 N ATOM 766 CA PRO A 49 -0.113 14.943 -1.485 1.00 0.00 C ATOM 767 C PRO A 49 -1.407 14.611 -0.739 1.00 0.00 C ATOM 768 O PRO A 49 -2.072 15.478 -0.207 1.00 0.00 O ATOM 769 CB PRO A 49 -0.407 15.625 -2.823 1.00 0.00 C ATOM 770 CG PRO A 49 -0.380 14.511 -3.895 1.00 0.00 C ATOM 771 CD PRO A 49 0.411 13.334 -3.292 1.00 0.00 C ATOM 0 HA PRO A 49 0.470 15.576 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.378 16.120 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.337 16.391 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.392 14.203 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.093 14.866 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.132 12.395 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.372 13.204 -3.789 1.00 0.00 H new ATOM 779 N ASP A 50 -1.763 13.357 -0.689 1.00 0.00 N ATOM 780 CA ASP A 50 -3.005 12.959 0.028 1.00 0.00 C ATOM 781 C ASP A 50 -2.623 12.146 1.265 1.00 0.00 C ATOM 782 O ASP A 50 -3.441 11.467 1.854 1.00 0.00 O ATOM 783 CB ASP A 50 -3.878 12.106 -0.897 1.00 0.00 C ATOM 784 CG ASP A 50 -4.305 12.942 -2.106 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.476 13.162 -2.972 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.456 13.346 -2.145 1.00 0.00 O ATOM 0 H ASP A 50 -1.245 12.589 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.561 13.847 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.326 11.226 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.756 11.749 -0.359 1.00 0.00 H new ATOM 791 N LEU A 51 -1.382 12.211 1.662 1.00 0.00 N ATOM 792 CA LEU A 51 -0.937 11.446 2.858 1.00 0.00 C ATOM 793 C LEU A 51 -0.246 12.390 3.843 1.00 0.00 C ATOM 794 O LEU A 51 0.166 11.991 4.914 1.00 0.00 O ATOM 795 CB LEU A 51 0.048 10.359 2.426 1.00 0.00 C ATOM 796 CG LEU A 51 -0.663 9.006 2.390 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.916 9.112 1.519 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.279 7.952 1.805 1.00 0.00 C ATOM 0 H LEU A 51 -0.655 12.763 1.207 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.802 10.989 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.455 10.593 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.889 10.321 3.118 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.948 8.717 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.424 8.148 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.586 9.864 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.632 9.400 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.227 6.987 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.564 8.240 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.172 7.877 2.426 1.00 0.00 H new ATOM 810 N ASN A 52 -0.110 13.640 3.491 1.00 0.00 N ATOM 811 CA ASN A 52 0.561 14.600 4.412 1.00 0.00 C ATOM 812 C ASN A 52 1.951 14.067 4.765 1.00 0.00 C ATOM 813 O ASN A 52 2.553 14.466 5.741 1.00 0.00 O ATOM 814 CB ASN A 52 -0.272 14.746 5.688 1.00 0.00 C ATOM 815 CG ASN A 52 0.091 16.057 6.388 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.737 17.064 6.330 1.00 0.00 O flip ATOM 817 ND2 ASN A 52 1.138 16.166 6.995 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.433 14.036 2.609 1.00 0.00 H new ATOM 0 HA ASN A 52 0.654 15.572 3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.334 14.734 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.088 13.903 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.785 15.379 7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.369 17.044 7.459 1.00 0.00 H new ATOM 824 N ALA A 53 2.463 13.164 3.973 1.00 0.00 N ATOM 825 CA ALA A 53 3.811 12.598 4.254 1.00 0.00 C ATOM 826 C ALA A 53 4.879 13.659 3.984 1.00 0.00 C ATOM 827 O ALA A 53 4.724 14.507 3.128 1.00 0.00 O ATOM 828 CB ALA A 53 4.052 11.392 3.346 1.00 0.00 C ATOM 0 H ALA A 53 2.003 12.794 3.141 1.00 0.00 H new ATOM 0 HA ALA A 53 3.865 12.288 5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.038 10.975 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.292 10.635 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.998 11.705 2.303 1.00 0.00 H new ATOM 834 N ALA A 54 5.968 13.616 4.704 1.00 0.00 N ATOM 835 CA ALA A 54 7.044 14.621 4.483 1.00 0.00 C ATOM 836 C ALA A 54 7.740 14.332 3.151 1.00 0.00 C ATOM 837 O ALA A 54 7.947 15.215 2.343 1.00 0.00 O ATOM 838 CB ALA A 54 8.063 14.535 5.621 1.00 0.00 C ATOM 0 H ALA A 54 6.157 12.929 5.434 1.00 0.00 H new ATOM 0 HA ALA A 54 6.611 15.621 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.851 15.270 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.566 14.737 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.498 13.536 5.645 1.00 0.00 H new ATOM 844 N SER A 55 8.102 13.100 2.917 1.00 0.00 N ATOM 845 CA SER A 55 8.782 12.751 1.637 1.00 0.00 C ATOM 846 C SER A 55 8.350 11.352 1.197 1.00 0.00 C ATOM 847 O SER A 55 7.408 10.787 1.717 1.00 0.00 O ATOM 848 CB SER A 55 10.297 12.773 1.843 1.00 0.00 C ATOM 849 OG SER A 55 10.584 12.637 3.230 1.00 0.00 O ATOM 0 H SER A 55 7.956 12.320 3.557 1.00 0.00 H new ATOM 0 HA SER A 55 8.508 13.476 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.764 11.963 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.714 13.706 1.463 1.00 0.00 H new ATOM 0 HG SER A 55 11.554 12.649 3.366 1.00 0.00 H new ATOM 855 N ILE A 56 9.035 10.782 0.243 1.00 0.00 N ATOM 856 CA ILE A 56 8.664 9.418 -0.223 1.00 0.00 C ATOM 857 C ILE A 56 8.878 8.425 0.914 1.00 0.00 C ATOM 858 O ILE A 56 8.037 7.599 1.188 1.00 0.00 O ATOM 859 CB ILE A 56 9.543 9.021 -1.405 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.648 10.196 -2.381 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.927 7.818 -2.123 1.00 0.00 C ATOM 862 CD1 ILE A 56 8.248 10.735 -2.675 1.00 0.00 C ATOM 0 H ILE A 56 9.834 11.202 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 56 7.618 9.413 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 56 10.537 8.757 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.271 10.983 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.128 9.874 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.557 7.536 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.852 6.980 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.932 8.080 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.319 11.572 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.640 9.946 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.786 11.072 -1.747 1.00 0.00 H new ATOM 874 N GLU A 57 9.993 8.503 1.586 1.00 0.00 N ATOM 875 CA GLU A 57 10.238 7.563 2.713 1.00 0.00 C ATOM 876 C GLU A 57 9.076 7.681 3.694 1.00 0.00 C ATOM 877 O GLU A 57 8.813 6.791 4.479 1.00 0.00 O ATOM 878 CB GLU A 57 11.545 7.930 3.420 1.00 0.00 C ATOM 879 CG GLU A 57 12.728 7.366 2.633 1.00 0.00 C ATOM 880 CD GLU A 57 14.019 8.032 3.110 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.946 8.825 4.035 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.059 7.738 2.545 1.00 0.00 O ATOM 0 H GLU A 57 10.740 9.173 1.404 1.00 0.00 H new ATOM 0 HA GLU A 57 10.316 6.542 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.634 9.013 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.546 7.531 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.790 6.287 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.587 7.543 1.567 1.00 0.00 H new ATOM 889 N ALA A 58 8.372 8.779 3.646 1.00 0.00 N ATOM 890 CA ALA A 58 7.218 8.968 4.564 1.00 0.00 C ATOM 891 C ALA A 58 5.997 8.248 3.990 1.00 0.00 C ATOM 892 O ALA A 58 5.196 7.696 4.717 1.00 0.00 O ATOM 893 CB ALA A 58 6.912 10.460 4.707 1.00 0.00 C ATOM 0 H ALA A 58 8.549 9.555 3.008 1.00 0.00 H new ATOM 0 HA ALA A 58 7.460 8.557 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.066 10.595 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.784 10.973 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.668 10.877 3.730 1.00 0.00 H new ATOM 899 N ALA A 59 5.849 8.238 2.690 1.00 0.00 N ATOM 900 CA ALA A 59 4.675 7.536 2.093 1.00 0.00 C ATOM 901 C ALA A 59 4.976 6.037 2.020 1.00 0.00 C ATOM 902 O ALA A 59 4.096 5.219 1.834 1.00 0.00 O ATOM 903 CB ALA A 59 4.407 8.077 0.687 1.00 0.00 C ATOM 0 H ALA A 59 6.482 8.680 2.024 1.00 0.00 H new ATOM 0 HA ALA A 59 3.793 7.706 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.549 7.561 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.198 9.145 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.283 7.911 0.060 1.00 0.00 H new ATOM 909 N MET A 60 6.220 5.672 2.175 1.00 0.00 N ATOM 910 CA MET A 60 6.596 4.234 2.124 1.00 0.00 C ATOM 911 C MET A 60 6.273 3.583 3.468 1.00 0.00 C ATOM 912 O MET A 60 6.341 2.379 3.620 1.00 0.00 O ATOM 913 CB MET A 60 8.094 4.113 1.838 1.00 0.00 C ATOM 914 CG MET A 60 8.466 2.641 1.659 1.00 0.00 C ATOM 915 SD MET A 60 7.542 1.949 0.264 1.00 0.00 S ATOM 916 CE MET A 60 8.405 2.846 -1.052 1.00 0.00 C ATOM 0 H MET A 60 6.996 6.314 2.336 1.00 0.00 H new ATOM 0 HA MET A 60 6.037 3.732 1.334 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.349 4.675 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.667 4.546 2.658 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.537 2.545 1.483 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.241 2.085 2.569 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.759 3.634 -1.440 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.318 3.289 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.659 2.156 -1.857 1.00 0.00 H new ATOM 926 N ARG A 61 5.909 4.367 4.445 1.00 0.00 N ATOM 927 CA ARG A 61 5.565 3.789 5.773 1.00 0.00 C ATOM 928 C ARG A 61 4.097 3.366 5.743 1.00 0.00 C ATOM 929 O ARG A 61 3.684 2.455 6.432 1.00 0.00 O ATOM 930 CB ARG A 61 5.779 4.840 6.865 1.00 0.00 C ATOM 931 CG ARG A 61 6.217 4.147 8.159 1.00 0.00 C ATOM 932 CD ARG A 61 7.558 3.446 7.934 1.00 0.00 C ATOM 933 NE ARG A 61 8.513 3.840 9.008 1.00 0.00 N ATOM 934 CZ ARG A 61 8.626 3.107 10.083 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.603 2.418 10.512 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.760 3.061 10.726 1.00 0.00 N ATOM 0 H ARG A 61 5.835 5.382 4.381 1.00 0.00 H new ATOM 0 HA ARG A 61 6.200 2.929 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.536 5.559 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.858 5.399 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.307 4.878 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.464 3.423 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.420 2.365 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.961 3.715 6.958 1.00 0.00 H new ATOM 0 HE ARG A 61 9.079 4.682 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.717 2.453 10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.690 1.845 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.559 3.598 10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.847 2.488 11.566 1.00 0.00 H new ATOM 950 N MET A 62 3.310 4.018 4.931 1.00 0.00 N ATOM 951 CA MET A 62 1.871 3.657 4.831 1.00 0.00 C ATOM 952 C MET A 62 1.712 2.539 3.799 1.00 0.00 C ATOM 953 O MET A 62 0.873 1.672 3.933 1.00 0.00 O ATOM 954 CB MET A 62 1.065 4.883 4.393 1.00 0.00 C ATOM 955 CG MET A 62 0.732 5.741 5.617 1.00 0.00 C ATOM 956 SD MET A 62 2.267 6.236 6.443 1.00 0.00 S ATOM 957 CE MET A 62 2.303 7.947 5.854 1.00 0.00 C ATOM 0 H MET A 62 3.605 4.788 4.331 1.00 0.00 H new ATOM 0 HA MET A 62 1.505 3.318 5.800 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.635 5.467 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.147 4.569 3.895 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.169 6.624 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.100 5.181 6.306 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.185 8.450 6.250 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.339 7.956 4.765 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.407 8.467 6.192 1.00 0.00 H new ATOM 967 N ILE A 63 2.520 2.548 2.771 1.00 0.00 N ATOM 968 CA ILE A 63 2.423 1.481 1.733 1.00 0.00 C ATOM 969 C ILE A 63 3.210 0.256 2.194 1.00 0.00 C ATOM 970 O ILE A 63 2.810 -0.871 1.979 1.00 0.00 O ATOM 971 CB ILE A 63 3.000 1.997 0.412 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.170 3.188 -0.074 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.956 0.885 -0.634 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.682 2.845 0.012 1.00 0.00 C ATOM 0 H ILE A 63 3.243 3.249 2.606 1.00 0.00 H new ATOM 0 HA ILE A 63 1.378 1.208 1.586 1.00 0.00 H new ATOM 0 HB ILE A 63 4.033 2.310 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.387 4.067 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.438 3.436 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.367 1.253 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.546 0.036 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.924 0.571 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.092 3.694 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.472 1.978 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.420 2.619 1.046 1.00 0.00 H new ATOM 986 N GLU A 64 4.325 0.467 2.833 1.00 0.00 N ATOM 987 CA GLU A 64 5.135 -0.682 3.319 1.00 0.00 C ATOM 988 C GLU A 64 4.681 -1.051 4.731 1.00 0.00 C ATOM 989 O GLU A 64 4.875 -2.158 5.189 1.00 0.00 O ATOM 990 CB GLU A 64 6.614 -0.290 3.338 1.00 0.00 C ATOM 991 CG GLU A 64 7.469 -1.493 2.935 1.00 0.00 C ATOM 992 CD GLU A 64 8.322 -1.939 4.125 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.423 -1.181 5.075 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.860 -3.032 4.065 1.00 0.00 O ATOM 0 H GLU A 64 4.711 1.388 3.040 1.00 0.00 H new ATOM 0 HA GLU A 64 4.999 -1.537 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.790 0.540 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.897 0.053 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.830 -2.312 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.110 -1.231 2.093 1.00 0.00 H new ATOM 1001 N GLY A 65 4.068 -0.129 5.423 1.00 0.00 N ATOM 1002 CA GLY A 65 3.591 -0.427 6.801 1.00 0.00 C ATOM 1003 C GLY A 65 2.181 -1.013 6.726 1.00 0.00 C ATOM 1004 O GLY A 65 1.796 -1.837 7.531 1.00 0.00 O ATOM 0 H GLY A 65 3.878 0.817 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.265 -1.131 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.589 0.482 7.403 1.00 0.00 H new ATOM 1008 N THR A 66 1.409 -0.595 5.758 1.00 0.00 N ATOM 1009 CA THR A 66 0.025 -1.127 5.620 1.00 0.00 C ATOM 1010 C THR A 66 0.049 -2.361 4.718 1.00 0.00 C ATOM 1011 O THR A 66 -0.764 -3.255 4.849 1.00 0.00 O ATOM 1012 CB THR A 66 -0.875 -0.058 4.996 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.801 1.131 5.769 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.319 -0.559 4.960 1.00 0.00 C ATOM 0 H THR A 66 1.680 0.094 5.056 1.00 0.00 H new ATOM 0 HA THR A 66 -0.363 -1.397 6.602 1.00 0.00 H new ATOM 0 HB THR A 66 -0.542 0.149 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.099 1.712 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.958 0.204 4.515 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.373 -1.470 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.657 -0.769 5.975 1.00 0.00 H new ATOM 1022 N ALA A 67 0.976 -2.416 3.800 1.00 0.00 N ATOM 1023 CA ALA A 67 1.051 -3.593 2.891 1.00 0.00 C ATOM 1024 C ALA A 67 1.811 -4.724 3.588 1.00 0.00 C ATOM 1025 O ALA A 67 2.109 -5.742 2.995 1.00 0.00 O ATOM 1026 CB ALA A 67 1.780 -3.198 1.605 1.00 0.00 C ATOM 0 H ALA A 67 1.683 -1.698 3.641 1.00 0.00 H new ATOM 0 HA ALA A 67 0.044 -3.931 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.835 -4.059 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.237 -2.392 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.788 -2.861 1.847 1.00 0.00 H new ATOM 1032 N ARG A 68 2.125 -4.553 4.845 1.00 0.00 N ATOM 1033 CA ARG A 68 2.863 -5.616 5.585 1.00 0.00 C ATOM 1034 C ARG A 68 2.004 -6.102 6.756 1.00 0.00 C ATOM 1035 O ARG A 68 2.145 -7.215 7.224 1.00 0.00 O ATOM 1036 CB ARG A 68 4.179 -5.042 6.119 1.00 0.00 C ATOM 1037 CG ARG A 68 5.086 -6.180 6.590 1.00 0.00 C ATOM 1038 CD ARG A 68 6.029 -6.588 5.456 1.00 0.00 C ATOM 1039 NE ARG A 68 7.171 -5.633 5.388 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.257 -5.862 6.076 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.272 -5.643 7.363 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.327 -6.307 5.477 1.00 0.00 N ATOM 0 H ARG A 68 1.901 -3.721 5.391 1.00 0.00 H new ATOM 0 HA ARG A 68 3.076 -6.450 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.678 -4.466 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.980 -4.358 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.662 -5.863 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.484 -7.034 6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.398 -7.600 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.492 -6.596 4.508 1.00 0.00 H new ATOM 0 HE ARG A 68 7.104 -4.800 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.436 -5.293 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.120 -5.822 7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.315 -6.476 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.175 -6.486 6.014 1.00 0.00 H new ATOM 1056 N SER A 69 1.111 -5.275 7.231 1.00 0.00 N ATOM 1057 CA SER A 69 0.240 -5.686 8.370 1.00 0.00 C ATOM 1058 C SER A 69 -0.953 -6.485 7.838 1.00 0.00 C ATOM 1059 O SER A 69 -1.850 -6.842 8.575 1.00 0.00 O ATOM 1060 CB SER A 69 -0.269 -4.443 9.102 1.00 0.00 C ATOM 1061 OG SER A 69 0.205 -3.279 8.438 1.00 0.00 O ATOM 0 H SER A 69 0.947 -4.332 6.879 1.00 0.00 H new ATOM 0 HA SER A 69 0.816 -6.303 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.359 -4.443 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.074 -4.450 10.137 1.00 0.00 H new ATOM 0 HG SER A 69 1.177 -3.216 8.542 1.00 0.00 H new ATOM 1067 N MET A 70 -0.972 -6.768 6.564 1.00 0.00 N ATOM 1068 CA MET A 70 -2.107 -7.544 5.991 1.00 0.00 C ATOM 1069 C MET A 70 -1.601 -8.902 5.502 1.00 0.00 C ATOM 1070 O MET A 70 -2.355 -9.709 4.996 1.00 0.00 O ATOM 1071 CB MET A 70 -2.710 -6.771 4.815 1.00 0.00 C ATOM 1072 CG MET A 70 -3.924 -5.975 5.299 1.00 0.00 C ATOM 1073 SD MET A 70 -3.502 -4.217 5.376 1.00 0.00 S ATOM 1074 CE MET A 70 -3.804 -3.834 3.633 1.00 0.00 C ATOM 0 H MET A 70 -0.251 -6.495 5.896 1.00 0.00 H new ATOM 0 HA MET A 70 -2.868 -7.694 6.757 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.966 -6.098 4.388 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.005 -7.461 4.025 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.766 -6.129 4.624 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.236 -6.328 6.282 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.173 -2.999 3.329 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.570 -4.706 3.023 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.852 -3.566 3.496 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.330 -9.163 5.648 1.00 0.00 N ATOM 1085 CA GLY A 71 0.218 -10.470 5.190 1.00 0.00 C ATOM 1086 C GLY A 71 0.907 -10.290 3.837 1.00 0.00 C ATOM 1087 O GLY A 71 1.513 -11.203 3.313 1.00 0.00 O ATOM 0 H GLY A 71 0.351 -8.528 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.927 -10.855 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.584 -11.203 5.107 1.00 0.00 H new ATOM 1091 N ILE A 72 0.822 -9.118 3.266 1.00 0.00 N ATOM 1092 CA ILE A 72 1.473 -8.885 1.948 1.00 0.00 C ATOM 1093 C ILE A 72 2.923 -8.455 2.170 1.00 0.00 C ATOM 1094 O ILE A 72 3.239 -7.772 3.125 1.00 0.00 O ATOM 1095 CB ILE A 72 0.726 -7.781 1.198 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.717 -8.219 0.948 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.415 -7.515 -0.142 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.663 -7.065 1.279 1.00 0.00 C ATOM 0 H ILE A 72 0.330 -8.314 3.656 1.00 0.00 H new ATOM 0 HA ILE A 72 1.448 -9.804 1.362 1.00 0.00 H new ATOM 0 HB ILE A 72 0.732 -6.870 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.842 -8.519 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.956 -9.087 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.882 -6.728 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.444 -7.201 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.411 -8.426 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.692 -7.376 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.544 -6.786 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.428 -6.209 0.646 1.00 0.00 H new ATOM 1110 N VAL A 73 3.809 -8.845 1.296 1.00 0.00 N ATOM 1111 CA VAL A 73 5.234 -8.449 1.463 1.00 0.00 C ATOM 1112 C VAL A 73 5.642 -7.544 0.297 1.00 0.00 C ATOM 1113 O VAL A 73 4.920 -7.399 -0.670 1.00 0.00 O ATOM 1114 CB VAL A 73 6.114 -9.711 1.511 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.612 -10.086 0.111 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.315 -9.456 2.424 1.00 0.00 C ATOM 0 H VAL A 73 3.608 -9.419 0.477 1.00 0.00 H new ATOM 0 HA VAL A 73 5.366 -7.901 2.396 1.00 0.00 H new ATOM 0 HB VAL A 73 5.516 -10.536 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.231 -10.981 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.759 -10.279 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.201 -9.265 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.940 -10.348 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.897 -8.620 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.965 -9.218 3.428 1.00 0.00 H new ATOM 1126 N VAL A 74 6.791 -6.936 0.379 1.00 0.00 N ATOM 1127 CA VAL A 74 7.234 -6.045 -0.727 1.00 0.00 C ATOM 1128 C VAL A 74 8.693 -6.375 -1.072 1.00 0.00 C ATOM 1129 O VAL A 74 9.524 -6.535 -0.199 1.00 0.00 O ATOM 1130 CB VAL A 74 7.072 -4.577 -0.282 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.416 -3.973 0.141 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.483 -3.762 -1.435 1.00 0.00 C ATOM 0 H VAL A 74 7.441 -7.017 1.161 1.00 0.00 H new ATOM 0 HA VAL A 74 6.628 -6.198 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 74 6.402 -4.549 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.269 -2.938 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.826 -4.545 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.110 -4.006 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.367 -2.724 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.152 -3.811 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.510 -4.170 -1.709 1.00 0.00 H new ATOM 1142 N GLU A 75 9.011 -6.490 -2.333 1.00 0.00 N ATOM 1143 CA GLU A 75 10.412 -6.822 -2.720 1.00 0.00 C ATOM 1144 C GLU A 75 11.114 -5.570 -3.242 1.00 0.00 C ATOM 1145 O GLU A 75 10.590 -4.853 -4.070 1.00 0.00 O ATOM 1146 CB GLU A 75 10.399 -7.890 -3.816 1.00 0.00 C ATOM 1147 CG GLU A 75 10.180 -9.268 -3.187 1.00 0.00 C ATOM 1148 CD GLU A 75 11.252 -10.236 -3.691 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.421 -9.951 -3.486 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.886 -11.243 -4.274 1.00 0.00 O ATOM 0 H GLU A 75 8.362 -6.369 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 75 10.946 -7.199 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.608 -7.678 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.341 -7.875 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.223 -9.194 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.188 -9.642 -3.442 1.00 0.00 H new ATOM 1157 N ASP A 76 12.299 -5.302 -2.767 1.00 0.00 N ATOM 1158 CA ASP A 76 13.037 -4.096 -3.238 1.00 0.00 C ATOM 1159 C ASP A 76 13.579 -4.346 -4.647 1.00 0.00 C ATOM 1160 O ASP A 76 13.505 -5.477 -5.097 1.00 0.00 O ATOM 1161 CB ASP A 76 14.200 -3.807 -2.289 1.00 0.00 C ATOM 1162 CG ASP A 76 13.687 -3.032 -1.075 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.106 -3.654 -0.201 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.884 -1.828 -1.039 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.058 -3.401 -5.251 1.00 0.00 O ATOM 0 H ASP A 76 12.789 -5.866 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 76 12.361 -3.241 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.663 -4.741 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.969 -3.230 -2.804 1.00 0.00 H new TER 1170 ASP A 76