USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 180:sc=-0.00479 (180deg=-0.00479) USER MOD Single : A 1 MET N :NH3+ 171:sc= -1.31 (180deg=-1.59!) USER MOD Single : A 2 GLN : amide:sc= -0.738 X(o=-0.74,f=-0.7) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 141:sc= -1.25 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -124:sc= 0.385 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -0.133 (180deg=-1.29) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0136) USER MOD Single : A 31 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.4) USER MOD Single : A 41 GLN : amide:sc= -3.12 K(o=-3.1,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= -0.469 USER MOD Single : A 60 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= -2.29 K(o=-2.3,f=-0.037) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 29:sc= -0.486 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00396 X(o=-0.004,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.364 -5.655 4.410 1.00 0.00 N ATOM 2 CA MET A 1 -12.525 -4.957 5.674 1.00 0.00 C ATOM 3 C MET A 1 -11.714 -3.660 5.692 1.00 0.00 C ATOM 4 O MET A 1 -11.213 -3.222 4.658 1.00 0.00 O ATOM 5 CB MET A 1 -12.066 -5.863 6.819 1.00 0.00 C ATOM 6 CG MET A 1 -10.573 -6.178 6.703 1.00 0.00 C ATOM 7 SD MET A 1 -10.118 -7.421 7.901 1.00 0.00 S ATOM 8 CE MET A 1 -10.154 -8.876 6.867 1.00 0.00 C ATOM 0 H1 MET A 1 -12.796 -6.598 4.477 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.829 -5.114 3.653 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.351 -5.753 4.194 1.00 0.00 H new ATOM 0 HA MET A 1 -13.578 -4.706 5.797 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.266 -5.378 7.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.639 -6.790 6.806 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.344 -6.529 5.697 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.988 -5.273 6.865 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.892 -9.751 7.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.155 -9.004 6.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.438 -8.762 6.053 1.00 0.00 H new ATOM 18 N GLN A 2 -11.610 -3.082 6.880 1.00 0.00 N ATOM 19 CA GLN A 2 -10.868 -1.843 7.046 1.00 0.00 C ATOM 20 C GLN A 2 -9.390 -2.140 7.308 1.00 0.00 C ATOM 21 O GLN A 2 -9.048 -3.210 7.809 1.00 0.00 O ATOM 22 CB GLN A 2 -11.463 -0.994 8.171 1.00 0.00 C ATOM 23 CG GLN A 2 -10.622 0.261 8.414 1.00 0.00 C ATOM 24 CD GLN A 2 -11.301 1.187 9.428 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.030 2.101 9.081 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.020 0.899 10.695 1.00 0.00 N ATOM 0 H GLN A 2 -12.027 -3.448 7.736 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.946 -1.270 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.483 -0.708 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.517 -1.583 9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.635 -0.023 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.473 0.792 7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.401 0.119 10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.423 1.458 11.447 1.00 0.00 H new ATOM 35 N ILE A 3 -8.554 -1.175 6.955 1.00 0.00 N ATOM 36 CA ILE A 3 -7.121 -1.321 7.145 1.00 0.00 C ATOM 37 C ILE A 3 -6.505 0.053 7.421 1.00 0.00 C ATOM 38 O ILE A 3 -7.137 1.080 7.180 1.00 0.00 O ATOM 39 CB ILE A 3 -6.493 -2.047 5.954 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.718 -1.269 4.656 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.007 -3.485 5.857 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.618 -0.226 4.445 1.00 0.00 C ATOM 0 H ILE A 3 -8.841 -0.289 6.539 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.914 -1.945 8.014 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.416 -2.099 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.737 -1.959 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.690 -0.777 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.545 -3.979 5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.753 -4.025 6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.090 -3.477 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.801 0.313 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.618 0.477 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.650 -0.724 4.391 1.00 0.00 H new ATOM 54 N PHE A 4 -5.279 0.027 7.923 1.00 0.00 N ATOM 55 CA PHE A 4 -4.571 1.257 8.233 1.00 0.00 C ATOM 56 C PHE A 4 -3.289 1.375 7.409 1.00 0.00 C ATOM 57 O PHE A 4 -2.283 0.742 7.724 1.00 0.00 O ATOM 58 CB PHE A 4 -4.206 1.199 9.719 1.00 0.00 C ATOM 59 CG PHE A 4 -5.339 1.622 10.655 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.551 1.010 10.577 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.134 2.610 11.568 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.602 1.402 11.446 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.186 3.002 12.437 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.398 2.390 12.358 1.00 0.00 C ATOM 0 H PHE A 4 -4.758 -0.827 8.123 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.199 2.117 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.903 0.182 9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.343 1.841 9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.714 0.225 9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.171 3.096 11.632 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.564 0.916 11.383 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.024 3.787 13.161 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.198 2.688 13.019 1.00 0.00 H new ATOM 74 N VAL A 5 -3.365 2.191 6.368 1.00 0.00 N ATOM 75 CA VAL A 5 -2.224 2.401 5.495 1.00 0.00 C ATOM 76 C VAL A 5 -1.410 3.592 6.004 1.00 0.00 C ATOM 77 O VAL A 5 -1.970 4.551 6.533 1.00 0.00 O ATOM 78 CB VAL A 5 -2.694 2.574 4.049 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.198 3.997 3.803 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.583 2.207 3.064 1.00 0.00 C ATOM 0 H VAL A 5 -4.201 2.715 6.110 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.570 1.529 5.508 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.527 1.891 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.526 4.093 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.034 4.207 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.393 4.706 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.943 2.339 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.721 2.853 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.292 1.167 3.215 1.00 0.00 H new ATOM 90 N LYS A 6 -0.100 3.492 5.828 1.00 0.00 N ATOM 91 CA LYS A 6 0.797 4.549 6.263 1.00 0.00 C ATOM 92 C LYS A 6 1.319 5.305 5.041 1.00 0.00 C ATOM 93 O LYS A 6 1.416 4.740 3.952 1.00 0.00 O ATOM 94 CB LYS A 6 1.904 3.980 7.153 1.00 0.00 C ATOM 95 CG LYS A 6 1.856 4.598 8.552 1.00 0.00 C ATOM 96 CD LYS A 6 2.262 3.577 9.617 1.00 0.00 C ATOM 97 CE LYS A 6 3.684 3.843 10.116 1.00 0.00 C ATOM 98 NZ LYS A 6 3.653 4.519 11.433 1.00 0.00 N ATOM 0 H LYS A 6 0.361 2.695 5.390 1.00 0.00 H new ATOM 0 HA LYS A 6 0.263 5.271 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.796 2.898 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.876 4.174 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.523 5.459 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.850 4.963 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.565 3.622 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.200 2.570 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.230 2.903 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.219 4.462 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.626 4.692 11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.150 5.425 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.161 3.915 12.122 1.00 0.00 H new ATOM 112 N THR A 7 1.641 6.572 5.260 1.00 0.00 N ATOM 113 CA THR A 7 2.150 7.411 4.190 1.00 0.00 C ATOM 114 C THR A 7 3.674 7.515 4.272 1.00 0.00 C ATOM 115 O THR A 7 4.271 7.146 5.283 1.00 0.00 O ATOM 116 CB THR A 7 1.443 8.765 4.273 1.00 0.00 C ATOM 117 OG1 THR A 7 1.819 9.275 5.549 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.078 8.627 4.360 1.00 0.00 C ATOM 0 H THR A 7 1.559 7.037 6.164 1.00 0.00 H new ATOM 0 HA THR A 7 1.938 6.977 3.213 1.00 0.00 H new ATOM 0 HB THR A 7 1.703 9.364 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.981 10.239 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.531 9.617 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.448 8.109 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.341 8.056 5.250 1.00 0.00 H new ATOM 126 N LEU A 8 4.260 8.020 3.196 1.00 0.00 N ATOM 127 CA LEU A 8 5.704 8.179 3.135 1.00 0.00 C ATOM 128 C LEU A 8 6.144 9.212 4.174 1.00 0.00 C ATOM 129 O LEU A 8 7.338 9.389 4.410 1.00 0.00 O ATOM 130 CB LEU A 8 6.146 8.513 1.709 1.00 0.00 C ATOM 131 CG LEU A 8 6.797 7.372 0.925 1.00 0.00 C ATOM 132 CD1 LEU A 8 6.847 7.694 -0.570 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.182 7.042 1.486 1.00 0.00 C ATOM 0 H LEU A 8 3.762 8.324 2.360 1.00 0.00 H new ATOM 0 HA LEU A 8 6.201 7.242 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.276 8.860 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.849 9.345 1.753 1.00 0.00 H new ATOM 0 HG LEU A 8 6.181 6.481 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.314 6.867 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.834 7.842 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.428 8.603 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.623 6.228 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.821 7.922 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.090 6.741 2.529 1.00 0.00 H new ATOM 145 N THR A 9 5.156 9.866 4.767 1.00 0.00 N ATOM 146 CA THR A 9 5.426 10.877 5.775 1.00 0.00 C ATOM 147 C THR A 9 5.245 10.294 7.177 1.00 0.00 C ATOM 148 O THR A 9 5.532 10.958 8.172 1.00 0.00 O ATOM 149 CB THR A 9 4.522 12.078 5.495 1.00 0.00 C ATOM 150 OG1 THR A 9 4.877 12.481 4.174 1.00 0.00 O ATOM 151 CG2 THR A 9 4.872 13.290 6.360 1.00 0.00 C ATOM 0 H THR A 9 4.167 9.715 4.569 1.00 0.00 H new ATOM 0 HA THR A 9 6.461 11.214 5.729 1.00 0.00 H new ATOM 0 HB THR A 9 3.483 11.797 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.336 13.255 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.200 14.114 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.765 13.029 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.901 13.592 6.164 1.00 0.00 H new ATOM 159 N GLY A 10 4.769 9.057 7.213 1.00 0.00 N ATOM 160 CA GLY A 10 4.545 8.378 8.476 1.00 0.00 C ATOM 161 C GLY A 10 3.132 8.644 9.000 1.00 0.00 C ATOM 162 O GLY A 10 2.800 8.265 10.122 1.00 0.00 O ATOM 0 H GLY A 10 4.533 8.508 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.693 7.306 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.278 8.715 9.209 1.00 0.00 H new ATOM 166 N LYS A 11 2.338 9.296 8.163 1.00 0.00 N ATOM 167 CA LYS A 11 0.969 9.617 8.527 1.00 0.00 C ATOM 168 C LYS A 11 0.120 8.345 8.478 1.00 0.00 C ATOM 169 O LYS A 11 0.405 7.435 7.703 1.00 0.00 O ATOM 170 CB LYS A 11 0.433 10.749 7.649 1.00 0.00 C ATOM 171 CG LYS A 11 -0.883 11.298 8.205 1.00 0.00 C ATOM 172 CD LYS A 11 -1.552 12.239 7.200 1.00 0.00 C ATOM 173 CE LYS A 11 -2.964 11.762 6.857 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.971 12.516 7.637 1.00 0.00 N ATOM 0 H LYS A 11 2.617 9.611 7.234 1.00 0.00 H new ATOM 0 HA LYS A 11 0.925 9.990 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.170 11.550 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.279 10.385 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.555 10.473 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.694 11.830 9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.595 13.247 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.952 12.293 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.149 11.893 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.055 10.697 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.924 12.179 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.803 12.370 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.894 13.529 7.415 1.00 0.00 H new ATOM 188 N THR A 12 -0.905 8.324 9.317 1.00 0.00 N ATOM 189 CA THR A 12 -1.798 7.178 9.379 1.00 0.00 C ATOM 190 C THR A 12 -3.109 7.484 8.651 1.00 0.00 C ATOM 191 O THR A 12 -3.815 8.426 9.007 1.00 0.00 O ATOM 192 CB THR A 12 -1.991 6.810 10.851 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.704 6.367 11.271 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.885 5.580 11.034 1.00 0.00 C ATOM 0 H THR A 12 -1.137 9.081 9.959 1.00 0.00 H new ATOM 0 HA THR A 12 -1.372 6.315 8.866 1.00 0.00 H new ATOM 0 HB THR A 12 -2.424 7.657 11.383 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.739 6.110 12.216 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.990 5.361 12.097 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.868 5.777 10.605 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.435 4.725 10.530 1.00 0.00 H new ATOM 202 N ILE A 13 -3.394 6.670 7.646 1.00 0.00 N ATOM 203 CA ILE A 13 -4.607 6.840 6.865 1.00 0.00 C ATOM 204 C ILE A 13 -5.400 5.532 6.868 1.00 0.00 C ATOM 205 O ILE A 13 -4.911 4.506 6.397 1.00 0.00 O ATOM 206 CB ILE A 13 -4.275 7.355 5.464 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.804 8.809 5.510 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.460 7.166 4.514 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.401 9.301 4.118 1.00 0.00 C ATOM 0 H ILE A 13 -2.805 5.890 7.354 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.245 7.600 7.315 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.449 6.762 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.600 9.440 5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.957 8.899 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.197 7.541 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.707 6.107 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.321 7.716 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.070 10.338 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.589 8.683 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.257 9.233 3.446 1.00 0.00 H new ATOM 221 N THR A 14 -6.609 5.610 7.405 1.00 0.00 N ATOM 222 CA THR A 14 -7.472 4.444 7.476 1.00 0.00 C ATOM 223 C THR A 14 -8.439 4.424 6.290 1.00 0.00 C ATOM 224 O THR A 14 -8.943 5.468 5.877 1.00 0.00 O ATOM 225 CB THR A 14 -8.177 4.460 8.833 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.147 4.806 9.756 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.622 3.064 9.279 1.00 0.00 C ATOM 0 H THR A 14 -7.011 6.463 7.795 1.00 0.00 H new ATOM 0 HA THR A 14 -6.897 3.521 7.403 1.00 0.00 H new ATOM 0 HB THR A 14 -9.044 5.119 8.783 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.085 4.117 10.450 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.117 3.132 10.248 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.315 2.652 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.751 2.413 9.361 1.00 0.00 H new ATOM 235 N LEU A 15 -8.669 3.225 5.775 1.00 0.00 N ATOM 236 CA LEU A 15 -9.566 3.055 4.644 1.00 0.00 C ATOM 237 C LEU A 15 -10.432 1.814 4.869 1.00 0.00 C ATOM 238 O LEU A 15 -9.928 0.766 5.269 1.00 0.00 O ATOM 239 CB LEU A 15 -8.777 3.027 3.334 1.00 0.00 C ATOM 240 CG LEU A 15 -9.520 3.526 2.093 1.00 0.00 C ATOM 241 CD1 LEU A 15 -8.966 4.875 1.629 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.489 2.479 0.978 1.00 0.00 C ATOM 0 H LEU A 15 -8.250 2.362 6.120 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.243 3.906 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.878 3.630 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.451 2.003 3.151 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.566 3.681 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.511 5.208 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.083 5.610 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.909 4.770 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.024 2.859 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.455 2.269 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.966 1.563 1.326 1.00 0.00 H new ATOM 254 N GLU A 16 -11.720 1.974 4.601 1.00 0.00 N ATOM 255 CA GLU A 16 -12.661 0.879 4.768 1.00 0.00 C ATOM 256 C GLU A 16 -12.946 0.215 3.420 1.00 0.00 C ATOM 257 O GLU A 16 -13.435 0.862 2.495 1.00 0.00 O ATOM 258 CB GLU A 16 -13.954 1.365 5.425 1.00 0.00 C ATOM 259 CG GLU A 16 -14.933 0.206 5.630 1.00 0.00 C ATOM 260 CD GLU A 16 -15.762 -0.040 4.367 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.381 0.938 3.895 1.00 0.00 O ATOM 262 OE2 GLU A 16 -15.760 -1.201 3.903 1.00 0.00 O ATOM 0 H GLU A 16 -12.134 2.845 4.269 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.213 0.137 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.727 1.828 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.417 2.131 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.383 -0.698 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.595 0.428 6.467 1.00 0.00 H new ATOM 269 N VAL A 17 -12.628 -1.070 3.351 1.00 0.00 N ATOM 270 CA VAL A 17 -12.845 -1.830 2.132 1.00 0.00 C ATOM 271 C VAL A 17 -13.361 -3.225 2.489 1.00 0.00 C ATOM 272 O VAL A 17 -13.487 -3.560 3.666 1.00 0.00 O ATOM 273 CB VAL A 17 -11.560 -1.863 1.301 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.179 -0.460 0.824 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.415 -2.504 2.088 1.00 0.00 C ATOM 0 H VAL A 17 -12.222 -1.603 4.120 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.605 -1.351 1.514 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.746 -2.477 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.263 -0.512 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.982 -0.054 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.020 0.187 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.514 -2.515 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.230 -1.928 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.685 -3.526 2.355 1.00 0.00 H new ATOM 285 N GLU A 18 -13.645 -4.000 1.454 1.00 0.00 N ATOM 286 CA GLU A 18 -14.145 -5.350 1.644 1.00 0.00 C ATOM 287 C GLU A 18 -13.061 -6.373 1.293 1.00 0.00 C ATOM 288 O GLU A 18 -12.101 -6.048 0.596 1.00 0.00 O ATOM 289 CB GLU A 18 -15.411 -5.589 0.819 1.00 0.00 C ATOM 290 CG GLU A 18 -16.667 -5.319 1.650 1.00 0.00 C ATOM 291 CD GLU A 18 -17.688 -6.445 1.482 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.448 -7.521 2.073 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.685 -6.205 0.768 1.00 0.00 O ATOM 0 H GLU A 18 -13.538 -3.718 0.479 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.408 -5.473 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.405 -4.942 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.424 -6.617 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.398 -5.222 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.112 -4.372 1.346 1.00 0.00 H new ATOM 300 N PRO A 19 -13.257 -7.616 1.805 1.00 0.00 N ATOM 301 CA PRO A 19 -12.307 -8.688 1.554 1.00 0.00 C ATOM 302 C PRO A 19 -12.445 -9.216 0.125 1.00 0.00 C ATOM 303 O PRO A 19 -11.574 -9.937 -0.361 1.00 0.00 O ATOM 304 CB PRO A 19 -12.612 -9.739 2.607 1.00 0.00 C ATOM 305 CG PRO A 19 -14.012 -9.431 3.112 1.00 0.00 C ATOM 306 CD PRO A 19 -14.383 -8.036 2.635 1.00 0.00 C ATOM 0 HA PRO A 19 -11.271 -8.359 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.562 -10.742 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.886 -9.699 3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.724 -10.165 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.046 -9.484 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.312 -8.046 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.531 -7.357 3.475 1.00 0.00 H new ATOM 314 N SER A 20 -13.545 -8.838 -0.510 1.00 0.00 N ATOM 315 CA SER A 20 -13.807 -9.266 -1.874 1.00 0.00 C ATOM 316 C SER A 20 -13.200 -8.267 -2.861 1.00 0.00 C ATOM 317 O SER A 20 -12.886 -8.623 -3.996 1.00 0.00 O ATOM 318 CB SER A 20 -15.309 -9.414 -2.125 1.00 0.00 C ATOM 319 OG SER A 20 -15.583 -10.281 -3.222 1.00 0.00 O ATOM 0 H SER A 20 -14.265 -8.240 -0.105 1.00 0.00 H new ATOM 0 HA SER A 20 -13.343 -10.241 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.790 -9.802 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.742 -8.433 -2.321 1.00 0.00 H new ATOM 0 HG SER A 20 -16.552 -10.351 -3.350 1.00 0.00 H new ATOM 325 N ASP A 21 -13.051 -7.037 -2.393 1.00 0.00 N ATOM 326 CA ASP A 21 -12.487 -5.984 -3.221 1.00 0.00 C ATOM 327 C ASP A 21 -11.025 -6.312 -3.529 1.00 0.00 C ATOM 328 O ASP A 21 -10.318 -6.864 -2.688 1.00 0.00 O ATOM 329 CB ASP A 21 -12.527 -4.635 -2.499 1.00 0.00 C ATOM 330 CG ASP A 21 -13.859 -4.301 -1.825 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.859 -4.956 -2.190 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.847 -3.398 -0.961 1.00 0.00 O ATOM 0 H ASP A 21 -13.311 -6.745 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.077 -5.921 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.741 -4.621 -1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.293 -3.849 -3.217 1.00 0.00 H new ATOM 337 N THR A 22 -10.616 -5.959 -4.738 1.00 0.00 N ATOM 338 CA THR A 22 -9.250 -6.209 -5.169 1.00 0.00 C ATOM 339 C THR A 22 -8.333 -5.070 -4.721 1.00 0.00 C ATOM 340 O THR A 22 -8.804 -4.045 -4.232 1.00 0.00 O ATOM 341 CB THR A 22 -9.264 -6.420 -6.684 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.207 -5.464 -7.160 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.866 -7.769 -7.082 1.00 0.00 C ATOM 0 H THR A 22 -11.206 -5.502 -5.433 1.00 0.00 H new ATOM 0 HA THR A 22 -8.847 -7.109 -4.705 1.00 0.00 H new ATOM 0 HB THR A 22 -8.247 -6.349 -7.069 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.277 -5.531 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.852 -7.868 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.281 -8.574 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.894 -7.828 -6.726 1.00 0.00 H new ATOM 351 N ILE A 23 -7.039 -5.288 -4.906 1.00 0.00 N ATOM 352 CA ILE A 23 -6.051 -4.292 -4.528 1.00 0.00 C ATOM 353 C ILE A 23 -6.293 -3.009 -5.327 1.00 0.00 C ATOM 354 O ILE A 23 -6.165 -1.909 -4.796 1.00 0.00 O ATOM 355 CB ILE A 23 -4.637 -4.855 -4.682 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.257 -5.719 -3.478 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.624 -3.733 -4.926 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.936 -4.851 -2.260 1.00 0.00 C ATOM 0 H ILE A 23 -6.652 -6.140 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.154 -4.035 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.620 -5.501 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.076 -6.398 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.394 -6.336 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.627 -4.160 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.888 -3.196 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.635 -3.043 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.669 -5.490 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.101 -4.191 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.809 -4.253 -1.999 1.00 0.00 H new ATOM 370 N GLU A 24 -6.639 -3.196 -6.594 1.00 0.00 N ATOM 371 CA GLU A 24 -6.900 -2.069 -7.471 1.00 0.00 C ATOM 372 C GLU A 24 -8.105 -1.271 -6.967 1.00 0.00 C ATOM 373 O GLU A 24 -8.134 -0.046 -7.080 1.00 0.00 O ATOM 374 CB GLU A 24 -7.116 -2.535 -8.913 1.00 0.00 C ATOM 375 CG GLU A 24 -8.280 -3.524 -9.001 1.00 0.00 C ATOM 376 CD GLU A 24 -9.568 -2.818 -9.428 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.707 -1.627 -9.074 1.00 0.00 O ATOM 378 OE2 GLU A 24 -10.386 -3.485 -10.098 1.00 0.00 O ATOM 0 H GLU A 24 -6.744 -4.111 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.027 -1.417 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.316 -1.674 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.206 -3.004 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.039 -4.312 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.428 -4.004 -8.034 1.00 0.00 H new ATOM 385 N ASN A 25 -9.069 -1.998 -6.423 1.00 0.00 N ATOM 386 CA ASN A 25 -10.273 -1.374 -5.900 1.00 0.00 C ATOM 387 C ASN A 25 -9.913 -0.521 -4.682 1.00 0.00 C ATOM 388 O ASN A 25 -10.341 0.627 -4.576 1.00 0.00 O ATOM 389 CB ASN A 25 -11.291 -2.425 -5.457 1.00 0.00 C ATOM 390 CG ASN A 25 -12.700 -2.058 -5.928 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.119 -2.382 -7.027 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.405 -1.366 -5.038 1.00 0.00 N ATOM 0 H ASN A 25 -9.041 -3.014 -6.333 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.707 -0.764 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.012 -3.399 -5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.278 -2.513 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.357 -1.074 -5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.994 -1.128 -4.136 1.00 0.00 H new ATOM 399 N VAL A 26 -9.131 -1.116 -3.794 1.00 0.00 N ATOM 400 CA VAL A 26 -8.707 -0.425 -2.587 1.00 0.00 C ATOM 401 C VAL A 26 -7.841 0.776 -2.970 1.00 0.00 C ATOM 402 O VAL A 26 -7.973 1.852 -2.386 1.00 0.00 O ATOM 403 CB VAL A 26 -7.996 -1.401 -1.649 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.601 -0.713 -0.340 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.860 -2.634 -1.381 1.00 0.00 C ATOM 0 H VAL A 26 -8.779 -2.069 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.570 -0.042 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.083 -1.734 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.097 -1.429 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.929 0.118 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.495 -0.338 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.330 -3.311 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.798 -2.327 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.068 -3.144 -2.322 1.00 0.00 H new ATOM 415 N LYS A 27 -6.976 0.554 -3.947 1.00 0.00 N ATOM 416 CA LYS A 27 -6.087 1.606 -4.414 1.00 0.00 C ATOM 417 C LYS A 27 -6.922 2.758 -4.978 1.00 0.00 C ATOM 418 O LYS A 27 -6.695 3.918 -4.636 1.00 0.00 O ATOM 419 CB LYS A 27 -5.067 1.044 -5.405 1.00 0.00 C ATOM 420 CG LYS A 27 -3.855 0.464 -4.673 1.00 0.00 C ATOM 421 CD LYS A 27 -2.667 0.301 -5.624 1.00 0.00 C ATOM 422 CE LYS A 27 -2.950 -0.771 -6.678 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.620 -0.268 -8.031 1.00 0.00 N ATOM 0 H LYS A 27 -6.871 -0.339 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.504 2.009 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.534 0.270 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.743 1.832 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.577 1.118 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.115 -0.502 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.456 1.251 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.777 0.031 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.364 -1.665 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.000 -1.061 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.486 -0.223 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.204 0.682 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.938 -0.910 -8.483 1.00 0.00 H new ATOM 437 N ALA A 28 -7.869 2.399 -5.830 1.00 0.00 N ATOM 438 CA ALA A 28 -8.739 3.389 -6.444 1.00 0.00 C ATOM 439 C ALA A 28 -9.465 4.172 -5.349 1.00 0.00 C ATOM 440 O ALA A 28 -9.680 5.376 -5.482 1.00 0.00 O ATOM 441 CB ALA A 28 -9.706 2.694 -7.404 1.00 0.00 C ATOM 0 H ALA A 28 -8.054 1.436 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.157 4.102 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.358 3.436 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.140 2.177 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.310 1.972 -6.853 1.00 0.00 H new ATOM 447 N LYS A 29 -9.824 3.457 -4.293 1.00 0.00 N ATOM 448 CA LYS A 29 -10.523 4.070 -3.177 1.00 0.00 C ATOM 449 C LYS A 29 -9.610 5.105 -2.517 1.00 0.00 C ATOM 450 O LYS A 29 -10.058 6.195 -2.160 1.00 0.00 O ATOM 451 CB LYS A 29 -11.035 2.998 -2.212 1.00 0.00 C ATOM 452 CG LYS A 29 -12.530 2.747 -2.416 1.00 0.00 C ATOM 453 CD LYS A 29 -13.118 1.955 -1.246 1.00 0.00 C ATOM 454 CE LYS A 29 -14.624 2.193 -1.125 1.00 0.00 C ATOM 455 NZ LYS A 29 -14.894 3.495 -0.474 1.00 0.00 N ATOM 0 H LYS A 29 -9.644 2.459 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.408 4.601 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.483 2.071 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.852 3.311 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.052 3.699 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.687 2.200 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.924 0.892 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.624 2.248 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.082 2.173 -2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.080 1.389 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.912 3.580 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.363 3.554 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.597 4.267 -1.105 1.00 0.00 H new ATOM 469 N ILE A 30 -8.347 4.731 -2.376 1.00 0.00 N ATOM 470 CA ILE A 30 -7.368 5.613 -1.765 1.00 0.00 C ATOM 471 C ILE A 30 -7.219 6.872 -2.621 1.00 0.00 C ATOM 472 O ILE A 30 -7.066 7.973 -2.093 1.00 0.00 O ATOM 473 CB ILE A 30 -6.051 4.871 -1.529 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.245 3.706 -0.557 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.957 5.832 -1.060 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.359 2.518 -0.940 1.00 0.00 C ATOM 0 H ILE A 30 -7.979 3.828 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.707 5.934 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.723 4.447 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.007 4.030 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.291 3.399 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.031 5.279 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.795 6.598 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.264 6.305 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.517 1.704 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.616 2.181 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.313 2.822 -0.916 1.00 0.00 H new ATOM 488 N GLN A 31 -7.270 6.669 -3.929 1.00 0.00 N ATOM 489 CA GLN A 31 -7.142 7.774 -4.864 1.00 0.00 C ATOM 490 C GLN A 31 -8.331 8.728 -4.723 1.00 0.00 C ATOM 491 O GLN A 31 -8.152 9.911 -4.436 1.00 0.00 O ATOM 492 CB GLN A 31 -7.015 7.265 -6.301 1.00 0.00 C ATOM 493 CG GLN A 31 -6.801 8.424 -7.276 1.00 0.00 C ATOM 494 CD GLN A 31 -7.505 8.158 -8.608 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.903 7.047 -8.918 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.637 9.236 -9.376 1.00 0.00 N ATOM 0 H GLN A 31 -7.398 5.755 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.230 8.322 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.180 6.567 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.915 6.715 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.181 9.347 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.734 8.568 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.281 10.137 -9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.094 9.162 -10.285 1.00 0.00 H new ATOM 505 N ASP A 32 -9.518 8.178 -4.931 1.00 0.00 N ATOM 506 CA ASP A 32 -10.735 8.964 -4.831 1.00 0.00 C ATOM 507 C ASP A 32 -10.736 9.728 -3.505 1.00 0.00 C ATOM 508 O ASP A 32 -11.293 10.821 -3.414 1.00 0.00 O ATOM 509 CB ASP A 32 -11.975 8.068 -4.862 1.00 0.00 C ATOM 510 CG ASP A 32 -13.092 8.541 -5.793 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.805 8.673 -7.003 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.208 8.761 -5.275 1.00 0.00 O ATOM 0 H ASP A 32 -9.663 7.197 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.764 9.648 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.672 7.065 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.374 7.991 -3.851 1.00 0.00 H new ATOM 517 N LYS A 33 -10.108 9.121 -2.509 1.00 0.00 N ATOM 518 CA LYS A 33 -10.030 9.730 -1.192 1.00 0.00 C ATOM 519 C LYS A 33 -8.890 10.750 -1.173 1.00 0.00 C ATOM 520 O LYS A 33 -9.132 11.956 -1.167 1.00 0.00 O ATOM 521 CB LYS A 33 -9.909 8.654 -0.110 1.00 0.00 C ATOM 522 CG LYS A 33 -10.894 8.912 1.032 1.00 0.00 C ATOM 523 CD LYS A 33 -11.999 7.855 1.052 1.00 0.00 C ATOM 524 CE LYS A 33 -12.777 7.899 2.368 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.345 6.569 2.680 1.00 0.00 N ATOM 0 H LYS A 33 -9.648 8.214 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.949 10.273 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.100 7.673 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.891 8.638 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.363 8.906 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.335 9.902 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.680 8.020 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.563 6.865 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.118 8.218 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.577 8.636 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.870 6.617 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.989 6.279 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.576 5.874 2.766 1.00 0.00 H new ATOM 539 N GLU A 34 -7.672 10.230 -1.166 1.00 0.00 N ATOM 540 CA GLU A 34 -6.494 11.080 -1.150 1.00 0.00 C ATOM 541 C GLU A 34 -6.314 11.765 -2.506 1.00 0.00 C ATOM 542 O GLU A 34 -6.359 12.990 -2.598 1.00 0.00 O ATOM 543 CB GLU A 34 -5.246 10.282 -0.768 1.00 0.00 C ATOM 544 CG GLU A 34 -5.141 10.119 0.750 1.00 0.00 C ATOM 545 CD GLU A 34 -4.688 8.706 1.120 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.456 8.495 1.148 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.583 7.870 1.368 1.00 0.00 O ATOM 0 H GLU A 34 -7.475 9.229 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.637 11.851 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.279 9.301 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.357 10.788 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.435 10.847 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.107 10.327 1.209 1.00 0.00 H new ATOM 554 N GLY A 35 -6.112 10.943 -3.525 1.00 0.00 N ATOM 555 CA GLY A 35 -5.924 11.453 -4.873 1.00 0.00 C ATOM 556 C GLY A 35 -4.601 10.964 -5.465 1.00 0.00 C ATOM 557 O GLY A 35 -4.086 11.553 -6.415 1.00 0.00 O ATOM 0 H GLY A 35 -6.074 9.927 -3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.751 11.131 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.939 12.543 -4.859 1.00 0.00 H new ATOM 561 N ILE A 36 -4.086 9.893 -4.878 1.00 0.00 N ATOM 562 CA ILE A 36 -2.832 9.319 -5.335 1.00 0.00 C ATOM 563 C ILE A 36 -3.119 8.284 -6.425 1.00 0.00 C ATOM 564 O ILE A 36 -4.112 7.561 -6.354 1.00 0.00 O ATOM 565 CB ILE A 36 -2.035 8.765 -4.154 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.647 9.881 -3.182 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.816 7.975 -4.638 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.832 9.434 -1.731 1.00 0.00 C ATOM 0 H ILE A 36 -4.515 9.408 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.201 10.087 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.672 8.070 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.609 10.168 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.256 10.764 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.266 7.592 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.145 7.142 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.167 8.628 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.549 10.246 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.876 9.171 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.203 8.566 -1.535 1.00 0.00 H new ATOM 580 N PRO A 37 -2.207 8.243 -7.433 1.00 0.00 N ATOM 581 CA PRO A 37 -2.350 7.308 -8.536 1.00 0.00 C ATOM 582 C PRO A 37 -1.985 5.887 -8.101 1.00 0.00 C ATOM 583 O PRO A 37 -1.214 5.700 -7.161 1.00 0.00 O ATOM 584 CB PRO A 37 -1.443 7.846 -9.630 1.00 0.00 C ATOM 585 CG PRO A 37 -0.475 8.794 -8.940 1.00 0.00 C ATOM 586 CD PRO A 37 -1.017 9.083 -7.549 1.00 0.00 C ATOM 0 HA PRO A 37 -3.377 7.232 -8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.909 7.037 -10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.020 8.365 -10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.517 8.348 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.374 9.718 -9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.284 8.840 -6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.264 10.138 -7.432 1.00 0.00 H new ATOM 594 N PRO A 38 -2.572 4.896 -8.825 1.00 0.00 N ATOM 595 CA PRO A 38 -2.315 3.498 -8.524 1.00 0.00 C ATOM 596 C PRO A 38 -0.926 3.077 -9.009 1.00 0.00 C ATOM 597 O PRO A 38 -0.319 2.166 -8.451 1.00 0.00 O ATOM 598 CB PRO A 38 -3.439 2.736 -9.208 1.00 0.00 C ATOM 599 CG PRO A 38 -4.014 3.685 -10.247 1.00 0.00 C ATOM 600 CD PRO A 38 -3.490 5.080 -9.944 1.00 0.00 C ATOM 0 HA PRO A 38 -2.306 3.294 -7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.065 1.825 -9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.201 2.436 -8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.720 3.376 -11.250 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.103 3.671 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.981 5.508 -10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.301 5.760 -9.683 1.00 0.00 H new ATOM 608 N ASP A 39 -0.463 3.764 -10.044 1.00 0.00 N ATOM 609 CA ASP A 39 0.842 3.473 -10.611 1.00 0.00 C ATOM 610 C ASP A 39 1.928 3.886 -9.616 1.00 0.00 C ATOM 611 O ASP A 39 2.940 3.200 -9.475 1.00 0.00 O ATOM 612 CB ASP A 39 1.066 4.255 -11.907 1.00 0.00 C ATOM 613 CG ASP A 39 0.487 3.603 -13.164 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.759 3.518 -13.236 1.00 0.00 O ATOM 615 OD2 ASP A 39 1.302 3.204 -14.024 1.00 0.00 O ATOM 0 H ASP A 39 -0.969 4.521 -10.504 1.00 0.00 H new ATOM 0 HA ASP A 39 0.888 2.405 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.628 5.247 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.138 4.394 -12.049 1.00 0.00 H new ATOM 620 N GLN A 40 1.682 5.006 -8.951 1.00 0.00 N ATOM 621 CA GLN A 40 2.627 5.519 -7.973 1.00 0.00 C ATOM 622 C GLN A 40 2.299 4.973 -6.582 1.00 0.00 C ATOM 623 O GLN A 40 2.933 5.352 -5.598 1.00 0.00 O ATOM 624 CB GLN A 40 2.640 7.048 -7.974 1.00 0.00 C ATOM 625 CG GLN A 40 2.841 7.594 -9.389 1.00 0.00 C ATOM 626 CD GLN A 40 4.238 7.259 -9.914 1.00 0.00 C ATOM 627 OE1 GLN A 40 5.100 6.779 -9.196 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.413 7.537 -11.202 1.00 0.00 N ATOM 0 H GLN A 40 0.842 5.572 -9.070 1.00 0.00 H new ATOM 0 HA GLN A 40 3.626 5.180 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.702 7.423 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.438 7.409 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.088 7.173 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.698 8.675 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.649 7.938 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.311 7.349 -11.647 1.00 0.00 H new ATOM 637 N GLN A 41 1.309 4.094 -6.544 1.00 0.00 N ATOM 638 CA GLN A 41 0.890 3.492 -5.289 1.00 0.00 C ATOM 639 C GLN A 41 1.615 2.164 -5.068 1.00 0.00 C ATOM 640 O GLN A 41 1.611 1.298 -5.942 1.00 0.00 O ATOM 641 CB GLN A 41 -0.628 3.301 -5.254 1.00 0.00 C ATOM 642 CG GLN A 41 -1.221 3.870 -3.963 1.00 0.00 C ATOM 643 CD GLN A 41 -2.668 4.322 -4.178 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.274 4.081 -5.208 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.184 4.988 -3.149 1.00 0.00 N ATOM 0 H GLN A 41 0.784 3.784 -7.362 1.00 0.00 H new ATOM 0 HA GLN A 41 1.158 4.168 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.080 3.794 -6.115 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.867 2.240 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.185 3.115 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.619 4.713 -3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.620 5.155 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.143 5.332 -3.193 1.00 0.00 H new ATOM 654 N ARG A 42 2.220 2.044 -3.895 1.00 0.00 N ATOM 655 CA ARG A 42 2.948 0.836 -3.550 1.00 0.00 C ATOM 656 C ARG A 42 2.575 0.377 -2.137 1.00 0.00 C ATOM 657 O ARG A 42 3.002 0.980 -1.153 1.00 0.00 O ATOM 658 CB ARG A 42 4.459 1.063 -3.622 1.00 0.00 C ATOM 659 CG ARG A 42 5.135 -0.009 -4.481 1.00 0.00 C ATOM 660 CD ARG A 42 6.195 -0.766 -3.680 1.00 0.00 C ATOM 661 NE ARG A 42 7.232 -1.299 -4.591 1.00 0.00 N ATOM 662 CZ ARG A 42 8.449 -1.695 -4.194 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.789 -1.619 -2.900 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.326 -2.166 -5.091 1.00 0.00 N ATOM 0 H ARG A 42 2.221 2.764 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 42 2.673 0.066 -4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.663 2.049 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.881 1.048 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.386 -0.709 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.596 0.456 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.651 -0.102 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.731 -1.582 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 42 7.006 -1.369 -5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.121 -1.260 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.715 -1.920 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.067 -2.223 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.252 -2.467 -4.789 1.00 0.00 H new ATOM 678 N LEU A 43 1.784 -0.684 -2.083 1.00 0.00 N ATOM 679 CA LEU A 43 1.349 -1.228 -0.809 1.00 0.00 C ATOM 680 C LEU A 43 2.246 -2.408 -0.431 1.00 0.00 C ATOM 681 O LEU A 43 2.356 -3.375 -1.183 1.00 0.00 O ATOM 682 CB LEU A 43 -0.140 -1.578 -0.855 1.00 0.00 C ATOM 683 CG LEU A 43 -1.042 -0.577 -1.579 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.519 -0.869 -1.304 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.665 0.862 -1.217 1.00 0.00 C ATOM 0 H LEU A 43 1.433 -1.181 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 43 1.453 -0.482 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.250 -2.550 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.499 -1.687 0.168 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.886 -0.691 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.138 -0.142 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.762 -1.873 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.710 -0.800 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.321 1.554 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.774 1.007 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.369 1.051 -1.506 1.00 0.00 H new ATOM 697 N ILE A 44 2.864 -2.291 0.734 1.00 0.00 N ATOM 698 CA ILE A 44 3.749 -3.335 1.221 1.00 0.00 C ATOM 699 C ILE A 44 3.073 -4.071 2.380 1.00 0.00 C ATOM 700 O ILE A 44 2.549 -3.441 3.298 1.00 0.00 O ATOM 701 CB ILE A 44 5.120 -2.755 1.577 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.695 -1.952 0.409 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.076 -3.856 2.042 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.418 -2.866 -0.582 1.00 0.00 C ATOM 0 H ILE A 44 2.769 -1.488 1.356 1.00 0.00 H new ATOM 0 HA ILE A 44 3.934 -4.071 0.439 1.00 0.00 H new ATOM 0 HB ILE A 44 4.994 -2.064 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.892 -1.420 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.387 -1.199 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.043 -3.418 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.664 -4.347 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.203 -4.589 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.817 -2.270 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.235 -3.378 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.717 -3.602 -0.976 1.00 0.00 H new ATOM 716 N PHE A 45 3.107 -5.393 2.301 1.00 0.00 N ATOM 717 CA PHE A 45 2.505 -6.221 3.333 1.00 0.00 C ATOM 718 C PHE A 45 3.226 -7.565 3.448 1.00 0.00 C ATOM 719 O PHE A 45 3.433 -8.251 2.448 1.00 0.00 O ATOM 720 CB PHE A 45 1.054 -6.467 2.917 1.00 0.00 C ATOM 721 CG PHE A 45 0.101 -6.704 4.090 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.406 -7.630 5.037 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.051 -5.987 4.186 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.477 -7.850 6.127 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.935 -6.206 5.276 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.629 -7.133 6.224 1.00 0.00 C ATOM 0 H PHE A 45 3.542 -5.912 1.538 1.00 0.00 H new ATOM 0 HA PHE A 45 2.572 -5.720 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.701 -5.610 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.019 -7.331 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.321 -8.199 4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.293 -5.251 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.234 -8.586 6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.850 -5.637 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.301 -7.299 7.053 1.00 0.00 H new ATOM 736 N ALA A 46 3.589 -7.902 4.677 1.00 0.00 N ATOM 737 CA ALA A 46 4.282 -9.153 4.936 1.00 0.00 C ATOM 738 C ALA A 46 5.602 -9.169 4.160 1.00 0.00 C ATOM 739 O ALA A 46 6.172 -10.232 3.921 1.00 0.00 O ATOM 740 CB ALA A 46 3.374 -10.327 4.565 1.00 0.00 C ATOM 0 H ALA A 46 3.416 -7.331 5.504 1.00 0.00 H new ATOM 0 HA ALA A 46 4.520 -9.248 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.894 -11.265 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.464 -10.286 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.116 -10.268 3.508 1.00 0.00 H new ATOM 746 N GLY A 47 6.048 -7.978 3.789 1.00 0.00 N ATOM 747 CA GLY A 47 7.289 -7.842 3.046 1.00 0.00 C ATOM 748 C GLY A 47 7.043 -7.965 1.541 1.00 0.00 C ATOM 749 O GLY A 47 7.894 -7.589 0.736 1.00 0.00 O ATOM 0 H GLY A 47 5.572 -7.098 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.745 -6.877 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.995 -8.608 3.367 1.00 0.00 H new ATOM 753 N LYS A 48 5.875 -8.493 1.206 1.00 0.00 N ATOM 754 CA LYS A 48 5.505 -8.670 -0.188 1.00 0.00 C ATOM 755 C LYS A 48 4.567 -7.538 -0.611 1.00 0.00 C ATOM 756 O LYS A 48 3.702 -7.123 0.160 1.00 0.00 O ATOM 757 CB LYS A 48 4.925 -10.067 -0.416 1.00 0.00 C ATOM 758 CG LYS A 48 3.434 -10.103 -0.078 1.00 0.00 C ATOM 759 CD LYS A 48 2.830 -11.469 -0.408 1.00 0.00 C ATOM 760 CE LYS A 48 1.631 -11.772 0.495 1.00 0.00 C ATOM 761 NZ LYS A 48 1.818 -13.065 1.189 1.00 0.00 N ATOM 0 H LYS A 48 5.172 -8.804 1.876 1.00 0.00 H new ATOM 0 HA LYS A 48 6.387 -8.608 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.073 -10.361 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.459 -10.791 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.292 -9.885 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.912 -9.326 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.518 -11.490 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.587 -12.244 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.509 -10.974 1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.718 -11.801 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.996 -13.255 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.912 -13.826 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.678 -13.025 1.772 1.00 0.00 H new ATOM 775 N GLN A 49 4.769 -7.069 -1.834 1.00 0.00 N ATOM 776 CA GLN A 49 3.951 -5.994 -2.368 1.00 0.00 C ATOM 777 C GLN A 49 2.633 -6.550 -2.911 1.00 0.00 C ATOM 778 O GLN A 49 2.604 -7.635 -3.489 1.00 0.00 O ATOM 779 CB GLN A 49 4.705 -5.216 -3.448 1.00 0.00 C ATOM 780 CG GLN A 49 6.185 -5.071 -3.087 1.00 0.00 C ATOM 781 CD GLN A 49 7.042 -6.056 -3.884 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.557 -7.007 -4.474 1.00 0.00 O ATOM 783 NE2 GLN A 49 8.342 -5.775 -3.870 1.00 0.00 N ATOM 0 H GLN A 49 5.488 -7.414 -2.470 1.00 0.00 H new ATOM 0 HA GLN A 49 3.724 -5.300 -1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.609 -5.729 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.258 -4.229 -3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.514 -4.052 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.322 -5.245 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.683 -4.963 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.998 -6.372 -4.373 1.00 0.00 H new ATOM 792 N LEU A 50 1.575 -5.779 -2.708 1.00 0.00 N ATOM 793 CA LEU A 50 0.257 -6.180 -3.170 1.00 0.00 C ATOM 794 C LEU A 50 0.163 -5.961 -4.682 1.00 0.00 C ATOM 795 O LEU A 50 0.352 -4.845 -5.164 1.00 0.00 O ATOM 796 CB LEU A 50 -0.833 -5.458 -2.376 1.00 0.00 C ATOM 797 CG LEU A 50 -0.635 -5.407 -0.860 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.583 -4.392 -0.217 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.780 -6.798 -0.241 1.00 0.00 C ATOM 0 H LEU A 50 1.604 -4.879 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 50 0.098 -7.243 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.909 -4.436 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.787 -5.944 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 50 0.382 -5.070 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.422 -4.376 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.389 -3.401 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.615 -4.675 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.635 -6.733 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.776 -7.187 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.032 -7.466 -0.668 1.00 0.00 H new ATOM 811 N GLU A 51 -0.129 -7.043 -5.388 1.00 0.00 N ATOM 812 CA GLU A 51 -0.251 -6.984 -6.835 1.00 0.00 C ATOM 813 C GLU A 51 -1.678 -6.601 -7.232 1.00 0.00 C ATOM 814 O GLU A 51 -2.617 -7.357 -6.990 1.00 0.00 O ATOM 815 CB GLU A 51 0.160 -8.311 -7.474 1.00 0.00 C ATOM 816 CG GLU A 51 1.488 -8.809 -6.901 1.00 0.00 C ATOM 817 CD GLU A 51 2.209 -9.718 -7.898 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.957 -9.163 -8.733 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.997 -10.946 -7.804 1.00 0.00 O ATOM 0 H GLU A 51 -0.285 -7.967 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 51 0.426 -6.215 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.616 -9.057 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.250 -8.186 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.123 -7.958 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.307 -9.352 -5.973 1.00 0.00 H new ATOM 826 N ASP A 52 -1.795 -5.427 -7.836 1.00 0.00 N ATOM 827 CA ASP A 52 -3.092 -4.935 -8.269 1.00 0.00 C ATOM 828 C ASP A 52 -3.835 -6.051 -9.005 1.00 0.00 C ATOM 829 O ASP A 52 -3.524 -6.355 -10.156 1.00 0.00 O ATOM 830 CB ASP A 52 -2.939 -3.754 -9.230 1.00 0.00 C ATOM 831 CG ASP A 52 -2.308 -4.097 -10.581 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.060 -4.080 -10.644 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.088 -4.367 -11.519 1.00 0.00 O ATOM 0 H ASP A 52 -1.013 -4.803 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.644 -4.612 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.923 -3.318 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.333 -2.988 -8.747 1.00 0.00 H new ATOM 838 N GLY A 53 -4.805 -6.630 -8.313 1.00 0.00 N ATOM 839 CA GLY A 53 -5.595 -7.706 -8.887 1.00 0.00 C ATOM 840 C GLY A 53 -5.894 -8.784 -7.842 1.00 0.00 C ATOM 841 O GLY A 53 -6.742 -9.648 -8.062 1.00 0.00 O ATOM 0 H GLY A 53 -5.062 -6.374 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.530 -7.306 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.059 -8.147 -9.727 1.00 0.00 H new ATOM 845 N ARG A 54 -5.179 -8.700 -6.731 1.00 0.00 N ATOM 846 CA ARG A 54 -5.356 -9.658 -5.652 1.00 0.00 C ATOM 847 C ARG A 54 -6.298 -9.091 -4.588 1.00 0.00 C ATOM 848 O ARG A 54 -6.294 -7.889 -4.326 1.00 0.00 O ATOM 849 CB ARG A 54 -4.016 -10.010 -5.003 1.00 0.00 C ATOM 850 CG ARG A 54 -3.382 -11.228 -5.678 1.00 0.00 C ATOM 851 CD ARG A 54 -3.254 -12.393 -4.695 1.00 0.00 C ATOM 852 NE ARG A 54 -1.982 -13.113 -4.929 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.622 -14.232 -4.284 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.434 -14.764 -3.362 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.449 -14.817 -4.561 1.00 0.00 N ATOM 0 H ARG A 54 -4.475 -7.983 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.788 -10.563 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.339 -9.158 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.164 -10.214 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.988 -11.532 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.398 -10.963 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.288 -12.021 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.095 -13.075 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.339 -12.734 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.327 -14.318 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.160 -15.615 -2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.170 -14.411 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.175 -15.668 -4.070 1.00 0.00 H new ATOM 869 N THR A 55 -7.083 -9.984 -4.003 1.00 0.00 N ATOM 870 CA THR A 55 -8.028 -9.588 -2.973 1.00 0.00 C ATOM 871 C THR A 55 -7.378 -9.673 -1.591 1.00 0.00 C ATOM 872 O THR A 55 -6.563 -10.559 -1.338 1.00 0.00 O ATOM 873 CB THR A 55 -9.274 -10.465 -3.112 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.787 -11.792 -2.933 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.835 -10.464 -4.537 1.00 0.00 C ATOM 0 H THR A 55 -7.084 -10.980 -4.223 1.00 0.00 H new ATOM 0 HA THR A 55 -8.329 -8.547 -3.093 1.00 0.00 H new ATOM 0 HB THR A 55 -10.041 -10.118 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.531 -12.426 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.718 -11.101 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.107 -9.447 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.080 -10.843 -5.226 1.00 0.00 H new ATOM 883 N LEU A 56 -7.761 -8.738 -0.733 1.00 0.00 N ATOM 884 CA LEU A 56 -7.226 -8.696 0.617 1.00 0.00 C ATOM 885 C LEU A 56 -7.451 -10.050 1.293 1.00 0.00 C ATOM 886 O LEU A 56 -6.651 -10.473 2.126 1.00 0.00 O ATOM 887 CB LEU A 56 -7.816 -7.515 1.391 1.00 0.00 C ATOM 888 CG LEU A 56 -7.638 -6.137 0.749 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.858 -5.251 1.009 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.339 -5.477 1.218 1.00 0.00 C ATOM 0 H LEU A 56 -8.436 -8.004 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.150 -8.526 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.882 -7.694 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.364 -7.493 2.382 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.560 -6.269 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.707 -4.278 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.746 -5.722 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.992 -5.122 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.237 -4.499 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.362 -5.357 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.492 -6.104 0.940 1.00 0.00 H new ATOM 902 N SER A 57 -8.546 -10.691 0.910 1.00 0.00 N ATOM 903 CA SER A 57 -8.886 -11.988 1.469 1.00 0.00 C ATOM 904 C SER A 57 -7.809 -13.013 1.110 1.00 0.00 C ATOM 905 O SER A 57 -7.350 -13.764 1.970 1.00 0.00 O ATOM 906 CB SER A 57 -10.255 -12.460 0.971 1.00 0.00 C ATOM 907 OG SER A 57 -10.584 -13.755 1.463 1.00 0.00 O ATOM 0 H SER A 57 -9.208 -10.336 0.220 1.00 0.00 H new ATOM 0 HA SER A 57 -8.937 -11.890 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.019 -11.749 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.259 -12.474 -0.119 1.00 0.00 H new ATOM 0 HG SER A 57 -11.465 -14.020 1.124 1.00 0.00 H new ATOM 913 N ASP A 58 -7.436 -13.011 -0.161 1.00 0.00 N ATOM 914 CA ASP A 58 -6.420 -13.932 -0.644 1.00 0.00 C ATOM 915 C ASP A 58 -5.095 -13.638 0.060 1.00 0.00 C ATOM 916 O ASP A 58 -4.177 -14.456 0.030 1.00 0.00 O ATOM 917 CB ASP A 58 -6.202 -13.770 -2.150 1.00 0.00 C ATOM 918 CG ASP A 58 -6.032 -15.079 -2.923 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.878 -15.556 -2.986 1.00 0.00 O ATOM 920 OD2 ASP A 58 -7.060 -15.574 -3.434 1.00 0.00 O ATOM 0 H ASP A 58 -7.819 -12.387 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.758 -14.947 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.049 -13.226 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.317 -13.154 -2.310 1.00 0.00 H new ATOM 925 N TYR A 59 -5.037 -12.468 0.679 1.00 0.00 N ATOM 926 CA TYR A 59 -3.839 -12.056 1.390 1.00 0.00 C ATOM 927 C TYR A 59 -3.975 -12.317 2.891 1.00 0.00 C ATOM 928 O TYR A 59 -2.992 -12.251 3.629 1.00 0.00 O ATOM 929 CB TYR A 59 -3.707 -10.549 1.157 1.00 0.00 C ATOM 930 CG TYR A 59 -2.937 -10.180 -0.111 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.745 -10.813 -0.403 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.431 -9.214 -0.964 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.019 -10.465 -1.597 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.705 -8.867 -2.158 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.535 -9.510 -2.416 1.00 0.00 C ATOM 936 OH TYR A 59 -0.849 -9.182 -3.543 1.00 0.00 O ATOM 0 H TYR A 59 -5.801 -11.792 0.703 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.972 -12.612 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.704 -10.111 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.207 -10.101 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.357 -11.569 0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.363 -8.718 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.085 -10.952 -1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.081 -8.113 -2.833 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.338 -9.504 -4.329 1.00 0.00 H new ATOM 946 N ASN A 60 -5.201 -12.611 3.300 1.00 0.00 N ATOM 947 CA ASN A 60 -5.478 -12.883 4.699 1.00 0.00 C ATOM 948 C ASN A 60 -5.039 -11.686 5.544 1.00 0.00 C ATOM 949 O ASN A 60 -4.120 -11.798 6.355 1.00 0.00 O ATOM 950 CB ASN A 60 -4.707 -14.113 5.185 1.00 0.00 C ATOM 951 CG ASN A 60 -5.452 -14.814 6.322 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.729 -14.242 7.363 1.00 0.00 O ATOM 953 ND2 ASN A 60 -5.762 -16.082 6.064 1.00 0.00 N ATOM 0 H ASN A 60 -6.013 -12.667 2.686 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.548 -13.064 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.564 -14.807 4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.716 -13.814 5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.262 -16.636 6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.500 -16.500 5.171 1.00 0.00 H new ATOM 960 N ILE A 61 -5.715 -10.567 5.326 1.00 0.00 N ATOM 961 CA ILE A 61 -5.406 -9.351 6.057 1.00 0.00 C ATOM 962 C ILE A 61 -6.169 -9.350 7.383 1.00 0.00 C ATOM 963 O ILE A 61 -7.289 -9.852 7.459 1.00 0.00 O ATOM 964 CB ILE A 61 -5.678 -8.120 5.191 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.455 -7.764 4.344 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.148 -6.940 6.044 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.630 -8.237 2.899 1.00 0.00 C ATOM 0 H ILE A 61 -6.476 -10.478 4.653 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.344 -9.313 6.299 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.488 -8.361 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.299 -6.685 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.565 -8.222 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.334 -6.079 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.067 -7.210 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.378 -6.689 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.746 -7.971 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.762 -9.319 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.507 -7.759 2.463 1.00 0.00 H new ATOM 979 N GLN A 62 -5.532 -8.781 8.396 1.00 0.00 N ATOM 980 CA GLN A 62 -6.136 -8.708 9.715 1.00 0.00 C ATOM 981 C GLN A 62 -6.847 -7.366 9.900 1.00 0.00 C ATOM 982 O GLN A 62 -6.487 -6.376 9.265 1.00 0.00 O ATOM 983 CB GLN A 62 -5.092 -8.930 10.810 1.00 0.00 C ATOM 984 CG GLN A 62 -4.105 -10.029 10.412 1.00 0.00 C ATOM 985 CD GLN A 62 -4.727 -11.416 10.591 1.00 0.00 C ATOM 986 OE1 GLN A 62 -4.393 -12.162 11.497 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.647 -11.718 9.680 1.00 0.00 N ATOM 0 H GLN A 62 -4.603 -8.366 8.329 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.876 -9.504 9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.552 -8.002 10.996 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.589 -9.202 11.741 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.803 -9.893 9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.203 -9.950 11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.879 -11.047 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.121 -12.621 9.713 1.00 0.00 H new ATOM 996 N LYS A 63 -7.846 -7.376 10.771 1.00 0.00 N ATOM 997 CA LYS A 63 -8.610 -6.172 11.047 1.00 0.00 C ATOM 998 C LYS A 63 -7.650 -5.025 11.368 1.00 0.00 C ATOM 999 O LYS A 63 -6.810 -5.144 12.259 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.644 -6.434 12.145 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.045 -7.279 13.271 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.637 -8.690 13.271 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.101 -9.090 14.673 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.930 -10.546 14.880 1.00 0.00 N ATOM 0 H LYS A 63 -8.144 -8.199 11.295 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.180 -5.873 10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.001 -5.486 12.547 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.508 -6.946 11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.963 -7.335 13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.236 -6.800 14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.478 -8.735 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.892 -9.401 12.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.530 -8.541 15.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.148 -8.818 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.250 -10.801 15.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.494 -11.065 14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.926 -10.796 14.772 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.806 -3.940 10.625 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.963 -2.772 10.818 1.00 0.00 C ATOM 1020 C GLU A 64 -5.486 -3.161 10.720 1.00 0.00 C ATOM 1021 O GLU A 64 -4.703 -2.867 11.621 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.264 -2.094 12.157 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.770 -1.918 12.357 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.188 -2.329 13.770 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.363 -2.126 14.687 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.323 -2.838 13.900 1.00 0.00 O ATOM 0 H GLU A 64 -8.504 -3.845 9.887 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.183 -2.055 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.853 -2.691 12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.773 -1.122 12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.045 -0.878 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.310 -2.519 11.625 1.00 0.00 H new ATOM 1033 N SER A 65 -5.152 -3.817 9.617 1.00 0.00 N ATOM 1034 CA SER A 65 -3.785 -4.248 9.390 1.00 0.00 C ATOM 1035 C SER A 65 -2.890 -3.036 9.127 1.00 0.00 C ATOM 1036 O SER A 65 -3.383 -1.936 8.886 1.00 0.00 O ATOM 1037 CB SER A 65 -3.704 -5.231 8.219 1.00 0.00 C ATOM 1038 OG SER A 65 -4.115 -6.543 8.595 1.00 0.00 O ATOM 0 H SER A 65 -5.805 -4.060 8.872 1.00 0.00 H new ATOM 0 HA SER A 65 -3.436 -4.762 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.331 -4.875 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.681 -5.265 7.844 1.00 0.00 H new ATOM 0 HG SER A 65 -4.765 -6.485 9.326 1.00 0.00 H new ATOM 1044 N THR A 66 -1.587 -3.278 9.182 1.00 0.00 N ATOM 1045 CA THR A 66 -0.619 -2.220 8.953 1.00 0.00 C ATOM 1046 C THR A 66 -0.045 -2.320 7.538 1.00 0.00 C ATOM 1047 O THR A 66 0.800 -3.170 7.266 1.00 0.00 O ATOM 1048 CB THR A 66 0.446 -2.308 10.048 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.158 -1.671 11.171 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.671 -1.444 9.744 1.00 0.00 C ATOM 0 H THR A 66 -1.180 -4.192 9.382 1.00 0.00 H new ATOM 0 HA THR A 66 -1.086 -1.237 9.012 1.00 0.00 H new ATOM 0 HB THR A 66 0.756 -3.346 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.464 -1.685 11.928 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.396 -1.543 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.124 -1.772 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.367 -0.401 9.654 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.527 -1.437 6.674 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.074 -1.415 5.295 1.00 0.00 C ATOM 1060 C LEU A 67 0.786 -0.170 5.066 1.00 0.00 C ATOM 1061 O LEU A 67 0.513 0.889 5.628 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.262 -1.526 4.338 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.059 -2.831 4.407 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.075 -2.791 5.550 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.720 -3.142 3.063 1.00 0.00 C ATOM 0 H LEU A 67 -1.227 -0.732 6.904 1.00 0.00 H new ATOM 0 HA LEU A 67 0.554 -2.281 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.942 -0.697 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.895 -1.401 3.319 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.366 -3.645 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.628 -3.730 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.553 -2.649 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.769 -1.965 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.280 -4.074 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.399 -2.332 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.953 -3.242 2.295 1.00 0.00 H new ATOM 1077 N HIS A 68 1.808 -0.340 4.238 1.00 0.00 N ATOM 1078 CA HIS A 68 2.708 0.757 3.927 1.00 0.00 C ATOM 1079 C HIS A 68 2.449 1.246 2.502 1.00 0.00 C ATOM 1080 O HIS A 68 2.640 0.500 1.541 1.00 0.00 O ATOM 1081 CB HIS A 68 4.164 0.346 4.159 1.00 0.00 C ATOM 1082 CG HIS A 68 4.710 0.752 5.506 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.167 -0.165 6.437 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.870 1.984 6.069 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.579 0.497 7.508 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.394 1.829 7.279 1.00 0.00 N ATOM 0 H HIS A 68 2.032 -1.220 3.774 1.00 0.00 H new ATOM 0 HA HIS A 68 2.515 1.593 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.246 -0.736 4.057 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.784 0.788 3.379 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.614 2.927 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.990 0.059 8.406 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.621 2.581 7.930 1.00 0.00 H new ATOM 1094 N LEU A 69 2.018 2.495 2.408 1.00 0.00 N ATOM 1095 CA LEU A 69 1.731 3.093 1.114 1.00 0.00 C ATOM 1096 C LEU A 69 2.909 3.972 0.690 1.00 0.00 C ATOM 1097 O LEU A 69 2.995 5.133 1.084 1.00 0.00 O ATOM 1098 CB LEU A 69 0.393 3.834 1.152 1.00 0.00 C ATOM 1099 CG LEU A 69 0.196 4.917 0.089 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.045 4.298 -1.302 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.983 5.825 0.444 1.00 0.00 C ATOM 0 H LEU A 69 1.860 3.110 3.206 1.00 0.00 H new ATOM 0 HA LEU A 69 1.620 2.320 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.408 3.102 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.282 4.293 2.135 1.00 0.00 H new ATOM 0 HG LEU A 69 1.089 5.542 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.094 5.089 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.941 3.728 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.821 3.636 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.101 6.586 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.894 5.230 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.795 6.307 1.403 1.00 0.00 H new ATOM 1113 N VAL A 70 3.788 3.383 -0.107 1.00 0.00 N ATOM 1114 CA VAL A 70 4.958 4.097 -0.589 1.00 0.00 C ATOM 1115 C VAL A 70 4.835 4.309 -2.100 1.00 0.00 C ATOM 1116 O VAL A 70 3.908 3.799 -2.727 1.00 0.00 O ATOM 1117 CB VAL A 70 6.230 3.346 -0.193 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.374 2.050 -0.992 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.465 4.234 -0.360 1.00 0.00 C ATOM 0 H VAL A 70 3.713 2.419 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 70 5.021 5.082 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 70 6.148 3.081 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.287 1.536 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.515 1.407 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.423 2.282 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.356 3.676 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.552 4.544 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.368 5.115 0.274 1.00 0.00 H new