USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 9 ASN :FLIP amide:sc= 0.825 F(o=-0.2!,f=1.1) USER MOD Set 1.2: A 56 THR OG1 : rot -88:sc= 0.266 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc=-0.00637 USER MOD Set 2.2: A 52 THR OG1 : rot 65:sc= 0.336 USER MOD Set 3.1: A 45 THR OG1 : rot -0:sc= -0.404! USER MOD Set 3.2: A 54 THR OG1 : rot 155:sc= 0.446 USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.301 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00564 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 14 LYS NZ :NH3+ -104:sc= 1.28 (180deg=-0.674) USER MOD Single : A 18 THR OG1 : rot 30:sc= 0.355 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0.00117 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.334 F(o=-1.6,f=-0.33) USER MOD Single : A 34 TYR OH : rot 30:sc=-0.00891 USER MOD Single : A 36 ASN : amide:sc= -0.455 X(o=-0.46,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 0.0284 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.558 -11.877 6.392 1.00 0.00 N ATOM 21 CA THR A 2 -2.788 -11.007 5.201 1.00 0.00 C ATOM 22 C THR A 2 -1.815 -9.825 5.211 1.00 0.00 C ATOM 23 O THR A 2 -2.150 -8.733 4.793 1.00 0.00 O ATOM 24 CB THR A 2 -4.229 -10.513 5.340 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.099 -11.627 5.483 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.617 -9.715 4.094 1.00 0.00 C ATOM 0 HA THR A 2 -2.629 -11.542 4.265 1.00 0.00 H new ATOM 0 HB THR A 2 -4.312 -9.874 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.598 -12.390 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.644 -9.363 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.949 -8.860 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.535 -10.352 3.214 1.00 0.00 H new ATOM 34 N THR A 3 -0.613 -10.039 5.683 1.00 0.00 N ATOM 35 CA THR A 3 0.389 -8.929 5.721 1.00 0.00 C ATOM 36 C THR A 3 0.672 -8.425 4.305 1.00 0.00 C ATOM 37 O THR A 3 1.497 -8.970 3.597 1.00 0.00 O ATOM 38 CB THR A 3 1.653 -9.539 6.333 1.00 0.00 C ATOM 39 OG1 THR A 3 1.322 -10.167 7.564 1.00 0.00 O ATOM 40 CG2 THR A 3 2.686 -8.437 6.579 1.00 0.00 C ATOM 0 H THR A 3 -0.282 -10.934 6.044 1.00 0.00 H new ATOM 0 HA THR A 3 0.031 -8.078 6.300 1.00 0.00 H new ATOM 0 HB THR A 3 2.071 -10.277 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.129 -10.560 7.958 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.585 -8.872 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.937 -7.956 5.634 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.272 -7.697 7.264 1.00 0.00 H new ATOM 48 N PHE A 4 -0.008 -7.386 3.892 1.00 0.00 N ATOM 49 CA PHE A 4 0.213 -6.836 2.522 1.00 0.00 C ATOM 50 C PHE A 4 1.414 -5.888 2.529 1.00 0.00 C ATOM 51 O PHE A 4 1.632 -5.158 3.478 1.00 0.00 O ATOM 52 CB PHE A 4 -1.075 -6.082 2.188 1.00 0.00 C ATOM 53 CG PHE A 4 -2.010 -6.999 1.438 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.720 -7.361 0.117 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.160 -7.495 2.062 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.578 -8.219 -0.579 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.020 -8.353 1.363 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.728 -8.714 0.044 1.00 0.00 C ATOM 0 H PHE A 4 -0.709 -6.894 4.447 1.00 0.00 H new ATOM 0 HA PHE A 4 0.427 -7.612 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.550 -5.728 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.849 -5.202 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.833 -6.977 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.385 -7.217 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.352 -8.499 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.909 -8.735 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.391 -9.375 -0.494 1.00 0.00 H new ATOM 68 N LYS A 5 2.199 -5.903 1.480 1.00 0.00 N ATOM 69 CA LYS A 5 3.395 -5.012 1.424 1.00 0.00 C ATOM 70 C LYS A 5 3.129 -3.810 0.512 1.00 0.00 C ATOM 71 O LYS A 5 2.045 -3.649 -0.016 1.00 0.00 O ATOM 72 CB LYS A 5 4.514 -5.882 0.849 1.00 0.00 C ATOM 73 CG LYS A 5 4.771 -7.072 1.777 1.00 0.00 C ATOM 74 CD LYS A 5 6.191 -7.596 1.554 1.00 0.00 C ATOM 75 CE LYS A 5 6.250 -8.370 0.234 1.00 0.00 C ATOM 76 NZ LYS A 5 7.611 -8.976 0.205 1.00 0.00 N ATOM 0 H LYS A 5 2.062 -6.495 0.661 1.00 0.00 H new ATOM 0 HA LYS A 5 3.651 -4.611 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.238 -6.236 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.424 -5.293 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.642 -6.770 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.046 -7.862 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.897 -6.766 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.485 -8.243 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.476 -9.136 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.094 -7.709 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.729 -9.524 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.327 -8.223 0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.728 -9.605 1.025 1.00 0.00 H new ATOM 90 N LEU A 6 4.116 -2.970 0.325 1.00 0.00 N ATOM 91 CA LEU A 6 3.937 -1.775 -0.553 1.00 0.00 C ATOM 92 C LEU A 6 5.302 -1.201 -0.939 1.00 0.00 C ATOM 93 O LEU A 6 5.993 -0.623 -0.122 1.00 0.00 O ATOM 94 CB LEU A 6 3.147 -0.768 0.294 1.00 0.00 C ATOM 95 CG LEU A 6 2.916 0.526 -0.501 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.577 0.453 -1.235 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.902 1.720 0.457 1.00 0.00 C ATOM 0 H LEU A 6 5.041 -3.062 0.745 1.00 0.00 H new ATOM 0 HA LEU A 6 3.418 -2.017 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.190 -1.200 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.691 -0.547 1.212 1.00 0.00 H new ATOM 0 HG LEU A 6 3.720 0.647 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.419 1.374 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.584 -0.394 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.772 0.327 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.738 2.638 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.100 1.593 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.858 1.780 0.977 1.00 0.00 H new ATOM 109 N ILE A 7 5.678 -1.333 -2.184 1.00 0.00 N ATOM 110 CA ILE A 7 6.980 -0.777 -2.640 1.00 0.00 C ATOM 111 C ILE A 7 6.768 0.685 -3.016 1.00 0.00 C ATOM 112 O ILE A 7 6.001 0.991 -3.912 1.00 0.00 O ATOM 113 CB ILE A 7 7.365 -1.605 -3.870 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.517 -3.075 -3.472 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.691 -1.095 -4.439 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.703 -3.926 -4.730 1.00 0.00 C ATOM 0 H ILE A 7 5.134 -1.805 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 7 7.760 -0.823 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 7 6.585 -1.510 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.373 -3.197 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.637 -3.407 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.963 -1.686 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.585 -0.049 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.471 -1.187 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.811 -4.973 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.834 -3.813 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.597 -3.599 -5.262 1.00 0.00 H new ATOM 128 N ILE A 8 7.420 1.591 -2.334 1.00 0.00 N ATOM 129 CA ILE A 8 7.218 3.032 -2.666 1.00 0.00 C ATOM 130 C ILE A 8 8.161 3.431 -3.803 1.00 0.00 C ATOM 131 O ILE A 8 9.369 3.393 -3.655 1.00 0.00 O ATOM 132 CB ILE A 8 7.545 3.868 -1.417 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.975 3.232 -0.105 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.971 5.275 -1.641 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.532 3.676 0.185 1.00 0.00 C ATOM 0 H ILE A 8 8.073 1.400 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 8 6.188 3.204 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 8 8.626 3.906 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.008 2.146 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.612 3.507 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.185 5.898 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.428 5.718 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.892 5.209 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.185 3.206 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.500 4.760 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.886 3.377 -0.641 1.00 0.00 H new ATOM 147 N ASN A 9 7.622 3.817 -4.930 1.00 0.00 N ATOM 148 CA ASN A 9 8.488 4.224 -6.077 1.00 0.00 C ATOM 149 C ASN A 9 8.518 5.752 -6.199 1.00 0.00 C ATOM 150 O ASN A 9 8.073 6.315 -7.183 1.00 0.00 O ATOM 151 CB ASN A 9 7.835 3.594 -7.308 1.00 0.00 C ATOM 152 CG ASN A 9 8.689 3.884 -8.544 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.177 4.564 -9.533 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.835 3.486 -8.612 1.00 0.00 N flip ATOM 0 H ASN A 9 6.619 3.868 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 9 9.521 3.897 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.733 2.518 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.830 3.994 -7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.237 2.954 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.395 3.684 -9.441 1.00 0.00 H new ATOM 161 N GLY A 10 9.040 6.424 -5.204 1.00 0.00 N ATOM 162 CA GLY A 10 9.104 7.916 -5.251 1.00 0.00 C ATOM 163 C GLY A 10 10.495 8.385 -4.822 1.00 0.00 C ATOM 164 O GLY A 10 11.499 7.871 -5.279 1.00 0.00 O ATOM 0 H GLY A 10 9.425 6.002 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.886 8.268 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.347 8.343 -4.594 1.00 0.00 H new ATOM 168 N LYS A 11 10.559 9.356 -3.946 1.00 0.00 N ATOM 169 CA LYS A 11 11.884 9.864 -3.479 1.00 0.00 C ATOM 170 C LYS A 11 11.916 9.950 -1.949 1.00 0.00 C ATOM 171 O LYS A 11 12.902 9.608 -1.324 1.00 0.00 O ATOM 172 CB LYS A 11 12.036 11.254 -4.111 1.00 0.00 C ATOM 173 CG LYS A 11 10.883 12.166 -3.677 1.00 0.00 C ATOM 174 CD LYS A 11 10.975 13.495 -4.428 1.00 0.00 C ATOM 175 CE LYS A 11 10.212 14.575 -3.656 1.00 0.00 C ATOM 176 NZ LYS A 11 10.217 15.765 -4.552 1.00 0.00 N ATOM 0 H LYS A 11 9.749 9.819 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 11 12.700 9.202 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.988 11.694 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.051 11.167 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.927 11.685 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.927 12.340 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.019 13.786 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.559 13.388 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.195 14.255 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.695 14.796 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.712 16.549 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.198 16.051 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.745 15.527 -5.447 1.00 0.00 H new ATOM 190 N THR A 12 10.843 10.396 -1.343 1.00 0.00 N ATOM 191 CA THR A 12 10.808 10.495 0.149 1.00 0.00 C ATOM 192 C THR A 12 10.775 9.092 0.756 1.00 0.00 C ATOM 193 O THR A 12 11.518 8.781 1.668 1.00 0.00 O ATOM 194 CB THR A 12 9.519 11.252 0.473 1.00 0.00 C ATOM 195 OG1 THR A 12 8.468 10.771 -0.355 1.00 0.00 O ATOM 196 CG2 THR A 12 9.727 12.745 0.223 1.00 0.00 C ATOM 0 H THR A 12 9.991 10.695 -1.817 1.00 0.00 H new ATOM 0 HA THR A 12 11.683 11.004 0.554 1.00 0.00 H new ATOM 0 HB THR A 12 9.257 11.095 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.641 11.254 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.808 13.284 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.533 13.112 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.989 12.906 -0.823 1.00 0.00 H new ATOM 204 N LEU A 13 9.920 8.246 0.245 1.00 0.00 N ATOM 205 CA LEU A 13 9.826 6.854 0.771 1.00 0.00 C ATOM 206 C LEU A 13 10.351 5.867 -0.275 1.00 0.00 C ATOM 207 O LEU A 13 10.370 6.158 -1.457 1.00 0.00 O ATOM 208 CB LEU A 13 8.334 6.626 1.019 1.00 0.00 C ATOM 209 CG LEU A 13 7.982 7.000 2.460 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.470 6.867 2.660 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.706 6.060 3.427 1.00 0.00 C ATOM 0 H LEU A 13 9.279 8.462 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 13 10.416 6.709 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.745 7.225 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.081 5.582 0.833 1.00 0.00 H new ATOM 0 HG LEU A 13 8.291 8.027 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.214 7.132 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.952 7.535 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.166 5.839 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.454 6.328 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.398 5.032 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.783 6.149 3.283 1.00 0.00 H new ATOM 223 N LYS A 14 10.775 4.701 0.149 1.00 0.00 N ATOM 224 CA LYS A 14 11.296 3.688 -0.813 1.00 0.00 C ATOM 225 C LYS A 14 11.547 2.355 -0.101 1.00 0.00 C ATOM 226 O LYS A 14 12.643 2.072 0.346 1.00 0.00 O ATOM 227 CB LYS A 14 12.606 4.268 -1.369 1.00 0.00 C ATOM 228 CG LYS A 14 13.584 4.562 -0.226 1.00 0.00 C ATOM 229 CD LYS A 14 14.487 5.734 -0.618 1.00 0.00 C ATOM 230 CE LYS A 14 13.891 7.039 -0.084 1.00 0.00 C ATOM 231 NZ LYS A 14 14.876 8.092 -0.460 1.00 0.00 N ATOM 0 H LYS A 14 10.781 4.409 1.126 1.00 0.00 H new ATOM 0 HA LYS A 14 10.583 3.488 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.055 3.564 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.400 5.183 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.035 4.801 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.187 3.679 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.488 5.587 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.586 5.784 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.914 7.237 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.751 6.997 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.423 8.372 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.522 7.720 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.372 8.920 -0.837 1.00 0.00 H new ATOM 245 N GLY A 15 10.532 1.535 0.006 1.00 0.00 N ATOM 246 CA GLY A 15 10.696 0.217 0.686 1.00 0.00 C ATOM 247 C GLY A 15 9.369 -0.541 0.662 1.00 0.00 C ATOM 248 O GLY A 15 8.319 0.037 0.450 1.00 0.00 O ATOM 0 H GLY A 15 9.595 1.723 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.469 -0.367 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.023 0.366 1.715 1.00 0.00 H new ATOM 252 N GLU A 16 9.414 -1.833 0.870 1.00 0.00 N ATOM 253 CA GLU A 16 8.168 -2.650 0.858 1.00 0.00 C ATOM 254 C GLU A 16 7.511 -2.658 2.249 1.00 0.00 C ATOM 255 O GLU A 16 7.552 -3.642 2.962 1.00 0.00 O ATOM 256 CB GLU A 16 8.638 -4.051 0.449 1.00 0.00 C ATOM 257 CG GLU A 16 9.609 -4.624 1.495 1.00 0.00 C ATOM 258 CD GLU A 16 10.849 -5.193 0.799 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.706 -6.170 0.083 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.919 -4.641 0.995 1.00 0.00 O ATOM 0 H GLU A 16 10.270 -2.359 1.049 1.00 0.00 H new ATOM 0 HA GLU A 16 7.413 -2.259 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.778 -4.712 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.128 -4.006 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.902 -3.844 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.115 -5.405 2.073 1.00 0.00 H new ATOM 267 N ILE A 17 6.899 -1.563 2.635 1.00 0.00 N ATOM 268 CA ILE A 17 6.232 -1.497 3.977 1.00 0.00 C ATOM 269 C ILE A 17 5.201 -2.626 4.113 1.00 0.00 C ATOM 270 O ILE A 17 4.273 -2.728 3.332 1.00 0.00 O ATOM 271 CB ILE A 17 5.548 -0.124 4.019 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.606 0.979 3.870 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.818 0.052 5.355 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.063 2.096 2.977 1.00 0.00 C ATOM 0 H ILE A 17 6.832 -0.711 2.079 1.00 0.00 H new ATOM 0 HA ILE A 17 6.940 -1.618 4.797 1.00 0.00 H new ATOM 0 HB ILE A 17 4.829 -0.057 3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.869 1.379 4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.518 0.566 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.334 1.028 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.065 -0.729 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.535 -0.018 6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.816 2.877 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.822 1.691 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.164 2.517 3.427 1.00 0.00 H new ATOM 286 N THR A 18 5.367 -3.477 5.094 1.00 0.00 N ATOM 287 CA THR A 18 4.412 -4.611 5.285 1.00 0.00 C ATOM 288 C THR A 18 3.387 -4.281 6.373 1.00 0.00 C ATOM 289 O THR A 18 3.733 -3.813 7.442 1.00 0.00 O ATOM 290 CB THR A 18 5.284 -5.794 5.718 1.00 0.00 C ATOM 291 OG1 THR A 18 5.958 -5.463 6.925 1.00 0.00 O ATOM 292 CG2 THR A 18 6.314 -6.113 4.630 1.00 0.00 C ATOM 0 H THR A 18 6.126 -3.435 5.774 1.00 0.00 H new ATOM 0 HA THR A 18 3.847 -4.823 4.377 1.00 0.00 H new ATOM 0 HB THR A 18 4.651 -6.667 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.411 -4.837 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.929 -6.955 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.798 -6.368 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.949 -5.243 4.463 1.00 0.00 H new ATOM 300 N ILE A 19 2.130 -4.534 6.109 1.00 0.00 N ATOM 301 CA ILE A 19 1.074 -4.250 7.129 1.00 0.00 C ATOM 302 C ILE A 19 -0.052 -5.284 7.033 1.00 0.00 C ATOM 303 O ILE A 19 -0.429 -5.706 5.956 1.00 0.00 O ATOM 304 CB ILE A 19 0.554 -2.843 6.808 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.014 -2.799 5.384 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.704 -1.840 6.923 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.526 -3.046 5.420 1.00 0.00 C ATOM 0 H ILE A 19 1.789 -4.925 5.231 1.00 0.00 H new ATOM 0 HA ILE A 19 1.466 -4.306 8.145 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.236 -2.587 7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.195 -1.831 4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.472 -3.553 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.338 -0.839 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.103 -1.859 7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.492 -2.107 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.924 -3.014 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.724 -4.025 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.006 -2.275 6.023 1.00 0.00 H new ATOM 319 N GLU A 20 -0.591 -5.688 8.155 1.00 0.00 N ATOM 320 CA GLU A 20 -1.696 -6.693 8.144 1.00 0.00 C ATOM 321 C GLU A 20 -3.028 -6.006 7.836 1.00 0.00 C ATOM 322 O GLU A 20 -3.290 -4.908 8.292 1.00 0.00 O ATOM 323 CB GLU A 20 -1.710 -7.287 9.556 1.00 0.00 C ATOM 324 CG GLU A 20 -1.967 -8.793 9.476 1.00 0.00 C ATOM 325 CD GLU A 20 -1.217 -9.500 10.608 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.614 -9.331 11.749 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.262 -10.197 10.314 1.00 0.00 O ATOM 0 H GLU A 20 -0.312 -5.364 9.081 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.550 -7.460 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.758 -7.096 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.483 -6.807 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.035 -8.995 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.637 -9.178 8.511 1.00 0.00 H new ATOM 334 N ALA A 21 -3.868 -6.645 7.063 1.00 0.00 N ATOM 335 CA ALA A 21 -5.185 -6.035 6.716 1.00 0.00 C ATOM 336 C ALA A 21 -6.201 -7.128 6.373 1.00 0.00 C ATOM 337 O ALA A 21 -5.839 -8.243 6.053 1.00 0.00 O ATOM 338 CB ALA A 21 -4.904 -5.166 5.491 1.00 0.00 C ATOM 0 H ALA A 21 -3.697 -7.565 6.657 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.604 -5.459 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.825 -4.680 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.163 -4.408 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.523 -5.790 4.682 1.00 0.00 H new ATOM 344 N VAL A 22 -7.471 -6.811 6.437 1.00 0.00 N ATOM 345 CA VAL A 22 -8.523 -7.821 6.115 1.00 0.00 C ATOM 346 C VAL A 22 -8.312 -8.375 4.697 1.00 0.00 C ATOM 347 O VAL A 22 -8.586 -9.526 4.420 1.00 0.00 O ATOM 348 CB VAL A 22 -9.855 -7.062 6.217 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.873 -5.898 5.219 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.015 -8.013 5.912 1.00 0.00 C ATOM 0 H VAL A 22 -7.824 -5.891 6.700 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.496 -8.676 6.791 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.962 -6.669 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.821 -5.366 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.053 -5.215 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.758 -6.285 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.958 -7.472 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.903 -8.412 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.011 -8.834 6.629 1.00 0.00 H new ATOM 360 N ASP A 23 -7.817 -7.554 3.809 1.00 0.00 N ATOM 361 CA ASP A 23 -7.568 -8.003 2.406 1.00 0.00 C ATOM 362 C ASP A 23 -6.685 -6.978 1.693 1.00 0.00 C ATOM 363 O ASP A 23 -6.245 -6.014 2.293 1.00 0.00 O ATOM 364 CB ASP A 23 -8.949 -8.095 1.742 1.00 0.00 C ATOM 365 CG ASP A 23 -9.705 -6.766 1.879 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.100 -5.730 1.658 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.882 -6.811 2.197 1.00 0.00 O ATOM 0 H ASP A 23 -7.572 -6.582 3.997 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.053 -8.963 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.835 -8.348 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.527 -8.897 2.202 1.00 0.00 H new ATOM 372 N ALA A 24 -6.420 -7.174 0.426 1.00 0.00 N ATOM 373 CA ALA A 24 -5.561 -6.198 -0.309 1.00 0.00 C ATOM 374 C ALA A 24 -6.307 -4.872 -0.466 1.00 0.00 C ATOM 375 O ALA A 24 -5.708 -3.814 -0.503 1.00 0.00 O ATOM 376 CB ALA A 24 -5.288 -6.827 -1.675 1.00 0.00 C ATOM 0 H ALA A 24 -6.758 -7.961 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.632 -5.990 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.661 -6.158 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.776 -7.780 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.232 -6.992 -2.195 1.00 0.00 H new ATOM 382 N ALA A 25 -7.615 -4.924 -0.549 1.00 0.00 N ATOM 383 CA ALA A 25 -8.414 -3.671 -0.695 1.00 0.00 C ATOM 384 C ALA A 25 -8.140 -2.743 0.491 1.00 0.00 C ATOM 385 O ALA A 25 -7.900 -1.562 0.324 1.00 0.00 O ATOM 386 CB ALA A 25 -9.878 -4.117 -0.705 1.00 0.00 C ATOM 0 H ALA A 25 -8.163 -5.784 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.160 -3.122 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.523 -3.245 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.046 -4.795 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.109 -4.629 0.229 1.00 0.00 H new ATOM 392 N GLU A 26 -8.157 -3.281 1.684 1.00 0.00 N ATOM 393 CA GLU A 26 -7.879 -2.445 2.889 1.00 0.00 C ATOM 394 C GLU A 26 -6.402 -2.057 2.903 1.00 0.00 C ATOM 395 O GLU A 26 -6.048 -0.938 3.227 1.00 0.00 O ATOM 396 CB GLU A 26 -8.216 -3.336 4.086 1.00 0.00 C ATOM 397 CG GLU A 26 -8.157 -2.510 5.372 1.00 0.00 C ATOM 398 CD GLU A 26 -9.522 -1.873 5.632 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.515 -2.565 5.487 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.550 -0.701 5.972 1.00 0.00 O ATOM 0 H GLU A 26 -8.352 -4.264 1.875 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.461 -1.523 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.210 -3.767 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.513 -4.167 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.874 -3.145 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.394 -1.737 5.285 1.00 0.00 H new ATOM 407 N ALA A 27 -5.535 -2.972 2.536 1.00 0.00 N ATOM 408 CA ALA A 27 -4.071 -2.658 2.508 1.00 0.00 C ATOM 409 C ALA A 27 -3.820 -1.475 1.574 1.00 0.00 C ATOM 410 O ALA A 27 -3.127 -0.537 1.919 1.00 0.00 O ATOM 411 CB ALA A 27 -3.390 -3.913 1.962 1.00 0.00 C ATOM 0 H ALA A 27 -5.778 -3.922 2.255 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.689 -2.392 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.313 -3.751 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.602 -4.757 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.769 -4.127 0.963 1.00 0.00 H new ATOM 417 N GLU A 28 -4.402 -1.507 0.398 1.00 0.00 N ATOM 418 CA GLU A 28 -4.223 -0.375 -0.560 1.00 0.00 C ATOM 419 C GLU A 28 -4.715 0.919 0.091 1.00 0.00 C ATOM 420 O GLU A 28 -4.139 1.970 -0.095 1.00 0.00 O ATOM 421 CB GLU A 28 -5.074 -0.730 -1.783 1.00 0.00 C ATOM 422 CG GLU A 28 -4.557 0.032 -3.009 1.00 0.00 C ATOM 423 CD GLU A 28 -5.700 0.224 -4.007 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.178 -0.771 -4.529 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.077 1.361 -4.235 1.00 0.00 O ATOM 0 H GLU A 28 -4.992 -2.268 0.063 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.181 -0.225 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.035 -1.804 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.118 -0.476 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.157 1.000 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.741 -0.519 -3.476 1.00 0.00 H new ATOM 432 N LYS A 29 -5.762 0.836 0.878 1.00 0.00 N ATOM 433 CA LYS A 29 -6.278 2.055 1.572 1.00 0.00 C ATOM 434 C LYS A 29 -5.295 2.458 2.672 1.00 0.00 C ATOM 435 O LYS A 29 -4.848 3.591 2.740 1.00 0.00 O ATOM 436 CB LYS A 29 -7.623 1.643 2.171 1.00 0.00 C ATOM 437 CG LYS A 29 -8.663 1.497 1.053 1.00 0.00 C ATOM 438 CD LYS A 29 -10.019 2.008 1.543 1.00 0.00 C ATOM 439 CE LYS A 29 -9.941 3.518 1.783 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.232 4.056 1.271 1.00 0.00 N ATOM 0 H LYS A 29 -6.279 -0.022 1.068 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.390 2.907 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.519 0.701 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.954 2.389 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.348 2.059 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.744 0.453 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.791 1.786 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.301 1.497 2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.811 3.743 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.094 3.958 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.254 5.088 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.325 3.832 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.020 3.624 1.795 1.00 0.00 H new ATOM 454 N ILE A 30 -4.929 1.524 3.520 1.00 0.00 N ATOM 455 CA ILE A 30 -3.945 1.830 4.607 1.00 0.00 C ATOM 456 C ILE A 30 -2.652 2.339 3.969 1.00 0.00 C ATOM 457 O ILE A 30 -1.996 3.228 4.478 1.00 0.00 O ATOM 458 CB ILE A 30 -3.701 0.499 5.328 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.011 -0.012 5.932 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.676 0.698 6.449 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.952 -1.537 6.059 1.00 0.00 C ATOM 0 H ILE A 30 -5.270 0.563 3.505 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.303 2.592 5.300 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.322 -0.228 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.173 0.439 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.852 0.279 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.506 -0.250 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.738 1.056 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.054 1.430 7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.884 -1.903 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.809 -1.979 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.120 -1.816 6.706 1.00 0.00 H new ATOM 473 N PHE A 31 -2.310 1.785 2.836 1.00 0.00 N ATOM 474 CA PHE A 31 -1.085 2.230 2.120 1.00 0.00 C ATOM 475 C PHE A 31 -1.369 3.573 1.445 1.00 0.00 C ATOM 476 O PHE A 31 -0.517 4.438 1.376 1.00 0.00 O ATOM 477 CB PHE A 31 -0.813 1.145 1.072 1.00 0.00 C ATOM 478 CG PHE A 31 -0.043 0.000 1.690 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.114 0.249 2.440 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.483 -1.314 1.502 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.828 -0.816 3.001 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.232 -2.380 2.060 1.00 0.00 C ATOM 483 CZ PHE A 31 1.389 -2.130 2.809 1.00 0.00 C ATOM 0 H PHE A 31 -2.832 1.039 2.375 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.229 2.363 2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.755 0.780 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.247 1.566 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.455 1.263 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.376 -1.507 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.718 -0.623 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.108 -3.395 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.942 -2.952 3.238 1.00 0.00 H new ATOM 493 N LYS A 32 -2.573 3.747 0.951 1.00 0.00 N ATOM 494 CA LYS A 32 -2.940 5.027 0.282 1.00 0.00 C ATOM 495 C LYS A 32 -3.284 6.118 1.307 1.00 0.00 C ATOM 496 O LYS A 32 -3.647 7.220 0.940 1.00 0.00 O ATOM 497 CB LYS A 32 -4.158 4.708 -0.583 1.00 0.00 C ATOM 498 CG LYS A 32 -3.699 4.002 -1.859 1.00 0.00 C ATOM 499 CD LYS A 32 -4.912 3.427 -2.593 1.00 0.00 C ATOM 500 CE LYS A 32 -5.785 4.570 -3.126 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.585 4.557 -4.603 1.00 0.00 N ATOM 0 H LYS A 32 -3.318 3.051 0.985 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.108 5.411 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.853 4.074 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.692 5.625 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.170 4.703 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.998 3.204 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.584 2.793 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.492 2.798 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.833 4.418 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.487 5.527 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.262 5.207 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.615 4.861 -4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.737 3.594 -4.966 1.00 0.00 H new ATOM 515 N GLN A 33 -3.131 5.845 2.582 1.00 0.00 N ATOM 516 CA GLN A 33 -3.404 6.894 3.615 1.00 0.00 C ATOM 517 C GLN A 33 -2.050 7.246 4.201 1.00 0.00 C ATOM 518 O GLN A 33 -1.665 8.390 4.329 1.00 0.00 O ATOM 519 CB GLN A 33 -4.307 6.228 4.657 1.00 0.00 C ATOM 520 CG GLN A 33 -4.585 7.209 5.800 1.00 0.00 C ATOM 521 CD GLN A 33 -3.606 6.952 6.948 1.00 0.00 C ATOM 522 OE1 GLN A 33 -3.494 5.747 7.438 1.00 0.00 O flip ATOM 523 NE2 GLN A 33 -2.936 7.857 7.405 1.00 0.00 N flip ATOM 0 H GLN A 33 -2.830 4.943 2.951 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.888 7.795 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.244 5.917 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.829 5.328 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.483 8.235 5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.611 7.093 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.023 8.799 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.287 7.675 8.171 1.00 0.00 H new ATOM 532 N TYR A 34 -1.310 6.217 4.486 1.00 0.00 N ATOM 533 CA TYR A 34 0.076 6.350 4.997 1.00 0.00 C ATOM 534 C TYR A 34 0.895 7.207 4.007 1.00 0.00 C ATOM 535 O TYR A 34 1.643 8.084 4.392 1.00 0.00 O ATOM 536 CB TYR A 34 0.528 4.880 5.002 1.00 0.00 C ATOM 537 CG TYR A 34 2.040 4.752 4.996 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.748 4.784 6.203 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.728 4.606 3.784 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.143 4.669 6.200 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.124 4.492 3.782 1.00 0.00 C ATOM 542 CZ TYR A 34 4.831 4.523 4.989 1.00 0.00 C ATOM 543 OH TYR A 34 6.207 4.413 4.987 1.00 0.00 O ATOM 0 H TYR A 34 -1.623 5.252 4.381 1.00 0.00 H new ATOM 0 HA TYR A 34 0.185 6.835 5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.125 4.379 5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.117 4.371 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.218 4.897 7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.182 4.581 2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.689 4.693 7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.655 4.380 2.848 1.00 0.00 H new ATOM 0 HH TYR A 34 6.502 3.988 5.819 1.00 0.00 H new ATOM 553 N ALA A 35 0.732 6.946 2.733 1.00 0.00 N ATOM 554 CA ALA A 35 1.467 7.725 1.688 1.00 0.00 C ATOM 555 C ALA A 35 1.131 9.215 1.804 1.00 0.00 C ATOM 556 O ALA A 35 2.004 10.061 1.786 1.00 0.00 O ATOM 557 CB ALA A 35 0.963 7.175 0.349 1.00 0.00 C ATOM 0 H ALA A 35 0.115 6.220 2.369 1.00 0.00 H new ATOM 0 HA ALA A 35 2.548 7.628 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.458 7.699 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.186 6.110 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.114 7.325 0.276 1.00 0.00 H new ATOM 563 N ASN A 36 -0.133 9.537 1.920 1.00 0.00 N ATOM 564 CA ASN A 36 -0.545 10.973 2.033 1.00 0.00 C ATOM 565 C ASN A 36 0.139 11.641 3.229 1.00 0.00 C ATOM 566 O ASN A 36 0.709 12.709 3.110 1.00 0.00 O ATOM 567 CB ASN A 36 -2.057 10.943 2.239 1.00 0.00 C ATOM 568 CG ASN A 36 -2.761 10.911 0.881 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.621 11.728 0.611 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.434 9.997 0.009 1.00 0.00 N ATOM 0 H ASN A 36 -0.901 8.866 1.942 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.262 11.543 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.337 10.068 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.374 11.820 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.899 9.968 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.713 9.312 0.235 1.00 0.00 H new ATOM 577 N ASP A 37 0.081 11.020 4.380 1.00 0.00 N ATOM 578 CA ASP A 37 0.723 11.616 5.597 1.00 0.00 C ATOM 579 C ASP A 37 2.211 11.884 5.353 1.00 0.00 C ATOM 580 O ASP A 37 2.815 12.718 6.002 1.00 0.00 O ATOM 581 CB ASP A 37 0.543 10.572 6.700 1.00 0.00 C ATOM 582 CG ASP A 37 -0.837 10.737 7.339 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.968 11.583 8.208 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.738 10.015 6.948 1.00 0.00 O ATOM 0 H ASP A 37 -0.383 10.125 4.532 1.00 0.00 H new ATOM 0 HA ASP A 37 0.273 12.573 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.646 9.569 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.321 10.687 7.455 1.00 0.00 H new ATOM 589 N ASN A 38 2.797 11.182 4.424 1.00 0.00 N ATOM 590 CA ASN A 38 4.236 11.375 4.123 1.00 0.00 C ATOM 591 C ASN A 38 4.417 12.241 2.869 1.00 0.00 C ATOM 592 O ASN A 38 5.442 12.869 2.685 1.00 0.00 O ATOM 593 CB ASN A 38 4.783 9.967 3.892 1.00 0.00 C ATOM 594 CG ASN A 38 5.289 9.393 5.217 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.739 8.436 5.727 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.321 9.939 5.800 1.00 0.00 N ATOM 0 H ASN A 38 2.331 10.475 3.855 1.00 0.00 H new ATOM 0 HA ASN A 38 4.758 11.889 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.004 9.326 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.593 9.995 3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.666 9.563 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.783 10.742 5.372 1.00 0.00 H new ATOM 603 N GLY A 39 3.430 12.272 2.007 1.00 0.00 N ATOM 604 CA GLY A 39 3.540 13.091 0.762 1.00 0.00 C ATOM 605 C GLY A 39 3.789 12.166 -0.431 1.00 0.00 C ATOM 606 O GLY A 39 4.441 12.534 -1.390 1.00 0.00 O ATOM 0 H GLY A 39 2.552 11.764 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.626 13.664 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.354 13.809 0.856 1.00 0.00 H new ATOM 610 N ILE A 40 3.275 10.965 -0.370 1.00 0.00 N ATOM 611 CA ILE A 40 3.469 9.995 -1.486 1.00 0.00 C ATOM 612 C ILE A 40 2.242 10.045 -2.402 1.00 0.00 C ATOM 613 O ILE A 40 1.176 9.566 -2.063 1.00 0.00 O ATOM 614 CB ILE A 40 3.644 8.642 -0.759 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.113 8.470 -0.382 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.218 7.441 -1.611 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.468 9.504 0.675 1.00 0.00 C ATOM 0 H ILE A 40 2.724 10.613 0.413 1.00 0.00 H new ATOM 0 HA ILE A 40 4.322 10.196 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 40 3.000 8.666 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.290 7.464 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.746 8.595 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.365 6.522 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.165 7.539 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.820 7.407 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.516 9.393 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.303 10.504 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.840 9.356 1.554 1.00 0.00 H new ATOM 629 N ASP A 41 2.395 10.637 -3.553 1.00 0.00 N ATOM 630 CA ASP A 41 1.245 10.741 -4.505 1.00 0.00 C ATOM 631 C ASP A 41 1.719 10.621 -5.960 1.00 0.00 C ATOM 632 O ASP A 41 2.363 11.506 -6.490 1.00 0.00 O ATOM 633 CB ASP A 41 0.631 12.122 -4.245 1.00 0.00 C ATOM 634 CG ASP A 41 1.680 13.215 -4.468 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.545 13.361 -3.619 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.600 13.888 -5.483 1.00 0.00 O ATOM 0 H ASP A 41 3.266 11.055 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 41 0.523 9.938 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.219 12.282 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.252 12.174 -3.224 1.00 0.00 H new ATOM 641 N GLY A 42 1.391 9.530 -6.605 1.00 0.00 N ATOM 642 CA GLY A 42 1.801 9.335 -8.028 1.00 0.00 C ATOM 643 C GLY A 42 0.970 8.204 -8.644 1.00 0.00 C ATOM 644 O GLY A 42 -0.201 8.373 -8.930 1.00 0.00 O ATOM 0 H GLY A 42 0.853 8.762 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.655 10.257 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.862 9.093 -8.083 1.00 0.00 H new ATOM 648 N GLU A 43 1.566 7.054 -8.849 1.00 0.00 N ATOM 649 CA GLU A 43 0.808 5.909 -9.447 1.00 0.00 C ATOM 650 C GLU A 43 0.549 4.826 -8.392 1.00 0.00 C ATOM 651 O GLU A 43 1.018 4.918 -7.280 1.00 0.00 O ATOM 652 CB GLU A 43 1.709 5.371 -10.560 1.00 0.00 C ATOM 653 CG GLU A 43 0.847 4.931 -11.746 1.00 0.00 C ATOM 654 CD GLU A 43 1.693 4.936 -13.021 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.835 4.516 -12.953 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.182 5.359 -14.045 1.00 0.00 O ATOM 0 H GLU A 43 2.543 6.859 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.167 6.218 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.415 6.140 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.297 4.530 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.445 3.934 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.005 5.602 -11.859 1.00 0.00 H new ATOM 663 N TRP A 44 -0.197 3.805 -8.742 1.00 0.00 N ATOM 664 CA TRP A 44 -0.504 2.701 -7.771 1.00 0.00 C ATOM 665 C TRP A 44 -0.783 1.405 -8.526 1.00 0.00 C ATOM 666 O TRP A 44 -1.575 1.376 -9.450 1.00 0.00 O ATOM 667 CB TRP A 44 -1.773 3.144 -7.040 1.00 0.00 C ATOM 668 CG TRP A 44 -1.416 4.004 -5.880 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.291 5.350 -5.905 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.146 3.591 -4.520 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.949 5.788 -4.639 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.847 4.737 -3.750 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.129 2.338 -3.891 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.538 4.644 -2.396 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.819 2.239 -2.526 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.522 3.391 -1.781 1.00 0.00 C ATOM 0 H TRP A 44 -0.611 3.687 -9.667 1.00 0.00 H new ATOM 0 HA TRP A 44 0.327 2.521 -7.089 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.424 3.691 -7.722 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.330 2.271 -6.699 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.435 5.979 -6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.792 6.765 -4.393 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.355 1.447 -4.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.313 5.533 -1.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.809 1.271 -2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.281 3.308 -0.732 1.00 0.00 H new ATOM 687 N THR A 45 -0.152 0.333 -8.131 1.00 0.00 N ATOM 688 CA THR A 45 -0.394 -0.974 -8.818 1.00 0.00 C ATOM 689 C THR A 45 -0.380 -2.089 -7.785 1.00 0.00 C ATOM 690 O THR A 45 0.501 -2.154 -6.953 1.00 0.00 O ATOM 691 CB THR A 45 0.749 -1.175 -9.830 1.00 0.00 C ATOM 692 OG1 THR A 45 1.917 -1.615 -9.154 1.00 0.00 O ATOM 693 CG2 THR A 45 1.048 0.131 -10.565 1.00 0.00 C ATOM 0 H THR A 45 0.520 0.302 -7.364 1.00 0.00 H new ATOM 0 HA THR A 45 -1.358 -0.984 -9.326 1.00 0.00 H new ATOM 0 HB THR A 45 0.441 -1.927 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.733 -1.683 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.858 -0.029 -11.276 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.157 0.461 -11.099 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.343 0.894 -9.845 1.00 0.00 H new ATOM 701 N TYR A 46 -1.344 -2.961 -7.840 1.00 0.00 N ATOM 702 CA TYR A 46 -1.394 -4.083 -6.860 1.00 0.00 C ATOM 703 C TYR A 46 -0.841 -5.363 -7.503 1.00 0.00 C ATOM 704 O TYR A 46 -1.045 -5.620 -8.674 1.00 0.00 O ATOM 705 CB TYR A 46 -2.880 -4.236 -6.496 1.00 0.00 C ATOM 706 CG TYR A 46 -3.080 -5.491 -5.669 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.349 -5.671 -4.490 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.977 -6.477 -6.095 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.518 -6.835 -3.733 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.143 -7.644 -5.339 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.415 -7.822 -4.157 1.00 0.00 C ATOM 712 OH TYR A 46 -3.579 -8.972 -3.412 1.00 0.00 O ATOM 0 H TYR A 46 -2.102 -2.947 -8.522 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.789 -3.892 -5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.219 -3.364 -5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.483 -4.287 -7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.654 -4.911 -4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.541 -6.338 -7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.956 -6.972 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.833 -8.407 -5.668 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.239 -9.552 -3.846 1.00 0.00 H new ATOM 722 N ASP A 47 -0.159 -6.168 -6.730 1.00 0.00 N ATOM 723 CA ASP A 47 0.398 -7.441 -7.269 1.00 0.00 C ATOM 724 C ASP A 47 -0.280 -8.627 -6.580 1.00 0.00 C ATOM 725 O ASP A 47 0.081 -9.007 -5.481 1.00 0.00 O ATOM 726 CB ASP A 47 1.889 -7.402 -6.938 1.00 0.00 C ATOM 727 CG ASP A 47 2.666 -8.187 -7.996 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.543 -9.401 -8.013 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.371 -7.562 -8.770 1.00 0.00 O ATOM 0 H ASP A 47 0.036 -5.996 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 47 0.232 -7.550 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.239 -6.370 -6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.065 -7.829 -5.951 1.00 0.00 H new ATOM 734 N ASP A 48 -1.262 -9.210 -7.222 1.00 0.00 N ATOM 735 CA ASP A 48 -1.983 -10.375 -6.614 1.00 0.00 C ATOM 736 C ASP A 48 -1.095 -11.631 -6.567 1.00 0.00 C ATOM 737 O ASP A 48 -1.483 -12.645 -6.018 1.00 0.00 O ATOM 738 CB ASP A 48 -3.199 -10.613 -7.517 1.00 0.00 C ATOM 739 CG ASP A 48 -2.739 -10.900 -8.949 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.119 -11.931 -9.155 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.013 -10.084 -9.814 1.00 0.00 O ATOM 0 H ASP A 48 -1.597 -8.930 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.267 -10.167 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.784 -11.451 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.849 -9.738 -7.503 1.00 0.00 H new ATOM 746 N ALA A 49 0.089 -11.572 -7.127 1.00 0.00 N ATOM 747 CA ALA A 49 0.995 -12.756 -7.106 1.00 0.00 C ATOM 748 C ALA A 49 1.907 -12.685 -5.880 1.00 0.00 C ATOM 749 O ALA A 49 2.353 -13.696 -5.369 1.00 0.00 O ATOM 750 CB ALA A 49 1.814 -12.649 -8.393 1.00 0.00 C ATOM 0 H ALA A 49 0.466 -10.750 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 49 0.452 -13.699 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.508 -13.487 -8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.145 -12.670 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.374 -11.714 -8.391 1.00 0.00 H new ATOM 756 N THR A 50 2.176 -11.497 -5.401 1.00 0.00 N ATOM 757 CA THR A 50 3.046 -11.345 -4.202 1.00 0.00 C ATOM 758 C THR A 50 2.348 -10.477 -3.149 1.00 0.00 C ATOM 759 O THR A 50 2.939 -10.112 -2.151 1.00 0.00 O ATOM 760 CB THR A 50 4.308 -10.655 -4.719 1.00 0.00 C ATOM 761 OG1 THR A 50 3.954 -9.426 -5.340 1.00 0.00 O ATOM 762 CG2 THR A 50 5.002 -11.560 -5.736 1.00 0.00 C ATOM 0 H THR A 50 1.827 -10.623 -5.793 1.00 0.00 H new ATOM 0 HA THR A 50 3.269 -12.300 -3.726 1.00 0.00 H new ATOM 0 HB THR A 50 4.984 -10.460 -3.887 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.763 -8.982 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.902 -11.069 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.272 -12.502 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.327 -11.755 -6.569 1.00 0.00 H new ATOM 770 N LYS A 51 1.092 -10.134 -3.363 1.00 0.00 N ATOM 771 CA LYS A 51 0.351 -9.280 -2.378 1.00 0.00 C ATOM 772 C LYS A 51 1.131 -7.992 -2.104 1.00 0.00 C ATOM 773 O LYS A 51 1.221 -7.536 -0.980 1.00 0.00 O ATOM 774 CB LYS A 51 0.232 -10.124 -1.102 1.00 0.00 C ATOM 775 CG LYS A 51 -0.544 -11.408 -1.407 1.00 0.00 C ATOM 776 CD LYS A 51 -2.019 -11.214 -1.046 1.00 0.00 C ATOM 777 CE LYS A 51 -2.713 -12.576 -0.991 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.125 -12.277 -0.622 1.00 0.00 N ATOM 0 H LYS A 51 0.550 -10.412 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.629 -8.986 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.224 -10.368 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.277 -9.555 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.448 -11.661 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.127 -12.240 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.106 -10.710 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.504 -10.576 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.656 -13.086 -1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.243 -13.229 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.456 -12.972 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.183 -11.322 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.724 -12.329 -1.471 1.00 0.00 H new ATOM 792 N THR A 52 1.702 -7.411 -3.129 1.00 0.00 N ATOM 793 CA THR A 52 2.484 -6.151 -2.937 1.00 0.00 C ATOM 794 C THR A 52 1.970 -5.051 -3.873 1.00 0.00 C ATOM 795 O THR A 52 1.723 -5.283 -5.041 1.00 0.00 O ATOM 796 CB THR A 52 3.928 -6.526 -3.285 1.00 0.00 C ATOM 797 OG1 THR A 52 4.356 -7.584 -2.438 1.00 0.00 O ATOM 798 CG2 THR A 52 4.839 -5.313 -3.086 1.00 0.00 C ATOM 0 H THR A 52 1.661 -7.754 -4.089 1.00 0.00 H new ATOM 0 HA THR A 52 2.395 -5.763 -1.922 1.00 0.00 H new ATOM 0 HB THR A 52 3.978 -6.846 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.821 -8.385 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.865 -5.584 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.511 -4.501 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.791 -4.989 -2.046 1.00 0.00 H new ATOM 806 N PHE A 53 1.816 -3.854 -3.364 1.00 0.00 N ATOM 807 CA PHE A 53 1.327 -2.726 -4.215 1.00 0.00 C ATOM 808 C PHE A 53 2.530 -1.944 -4.774 1.00 0.00 C ATOM 809 O PHE A 53 3.659 -2.376 -4.639 1.00 0.00 O ATOM 810 CB PHE A 53 0.491 -1.858 -3.271 1.00 0.00 C ATOM 811 CG PHE A 53 -0.801 -2.567 -2.924 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.819 -3.531 -1.906 1.00 0.00 C ATOM 813 CD2 PHE A 53 -1.982 -2.256 -3.611 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.017 -4.184 -1.577 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.177 -2.909 -3.280 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.194 -3.871 -2.265 1.00 0.00 C ATOM 0 H PHE A 53 2.009 -3.609 -2.393 1.00 0.00 H new ATOM 0 HA PHE A 53 0.742 -3.060 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.055 -1.647 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.274 -0.899 -3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.090 -3.771 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.971 -1.513 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.030 -4.927 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.087 -2.669 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.116 -4.373 -2.012 1.00 0.00 H new ATOM 826 N THR A 54 2.313 -0.797 -5.392 1.00 0.00 N ATOM 827 CA THR A 54 3.457 -0.009 -5.936 1.00 0.00 C ATOM 828 C THR A 54 3.011 1.436 -6.059 1.00 0.00 C ATOM 829 O THR A 54 2.403 1.826 -7.039 1.00 0.00 O ATOM 830 CB THR A 54 3.767 -0.596 -7.317 1.00 0.00 C ATOM 831 OG1 THR A 54 3.537 -2.000 -7.310 1.00 0.00 O ATOM 832 CG2 THR A 54 5.230 -0.323 -7.670 1.00 0.00 C ATOM 0 H THR A 54 1.393 -0.381 -5.538 1.00 0.00 H new ATOM 0 HA THR A 54 4.341 -0.051 -5.300 1.00 0.00 H new ATOM 0 HB THR A 54 3.117 -0.130 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.339 -2.304 -8.220 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.451 -0.740 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.406 0.753 -7.685 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.877 -0.786 -6.925 1.00 0.00 H new ATOM 840 N VAL A 55 3.284 2.224 -5.059 1.00 0.00 N ATOM 841 CA VAL A 55 2.845 3.649 -5.098 1.00 0.00 C ATOM 842 C VAL A 55 3.975 4.563 -5.582 1.00 0.00 C ATOM 843 O VAL A 55 4.933 4.830 -4.882 1.00 0.00 O ATOM 844 CB VAL A 55 2.368 4.003 -3.669 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.416 3.623 -2.618 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.081 5.505 -3.571 1.00 0.00 C ATOM 0 H VAL A 55 3.790 1.946 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 55 2.032 3.795 -5.810 1.00 0.00 H new ATOM 0 HB VAL A 55 1.459 3.434 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.048 3.886 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.604 2.550 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.342 4.162 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.746 5.746 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.989 6.064 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.303 5.774 -4.286 1.00 0.00 H new ATOM 856 N THR A 56 3.837 5.056 -6.782 1.00 0.00 N ATOM 857 CA THR A 56 4.854 5.977 -7.352 1.00 0.00 C ATOM 858 C THR A 56 4.473 7.416 -6.965 1.00 0.00 C ATOM 859 O THR A 56 3.391 7.659 -6.463 1.00 0.00 O ATOM 860 CB THR A 56 4.773 5.721 -8.875 1.00 0.00 C ATOM 861 OG1 THR A 56 5.599 4.614 -9.202 1.00 0.00 O ATOM 862 CG2 THR A 56 5.233 6.942 -9.684 1.00 0.00 C ATOM 0 H THR A 56 3.050 4.855 -7.399 1.00 0.00 H new ATOM 0 HA THR A 56 5.871 5.822 -6.991 1.00 0.00 H new ATOM 0 HB THR A 56 3.732 5.519 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.509 4.928 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.161 6.721 -10.749 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.598 7.796 -9.447 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.267 7.177 -9.432 1.00 0.00 H new ATOM 870 N GLU A 57 5.349 8.361 -7.194 1.00 0.00 N ATOM 871 CA GLU A 57 5.035 9.778 -6.841 1.00 0.00 C ATOM 872 C GLU A 57 5.166 10.670 -8.077 1.00 0.00 C ATOM 873 O GLU A 57 4.410 11.624 -8.177 1.00 0.00 O ATOM 874 CB GLU A 57 6.074 10.165 -5.787 1.00 0.00 C ATOM 875 CG GLU A 57 5.795 11.585 -5.291 1.00 0.00 C ATOM 876 CD GLU A 57 6.679 11.886 -4.079 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.305 11.495 -2.985 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.715 12.503 -4.266 1.00 0.00 O ATOM 879 OXT GLU A 57 6.018 10.386 -8.902 1.00 0.00 O ATOM 0 H GLU A 57 6.268 8.212 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 57 4.017 9.896 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.040 9.464 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.076 10.107 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.992 12.304 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.744 11.688 -5.022 1.00 0.00 H new