USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 614 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0784 K(o=-0.078,f=-1.4!) USER MOD Single : A 18 THR OG1 : rot 132:sc= 0.0543 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.428 K(o=-0.43,f=-3!) USER MOD Single : A 30 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.38) USER MOD Single : A 34 THR OG1 : rot 121:sc= 0.867 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 174:sc=-0.00296 (180deg=-0.0835) USER MOD Single : A 42 THR OG1 : rot 126:sc= 0.92 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00164 X(o=-0.0016,f=-0.13) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -140:sc= -1.41 USER MOD Single : A 71 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0179 (180deg=-0.18) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.2) USER MOD Single : A 81 GLN : amide:sc= 0.206 K(o=0.21,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 1.571 -18.819 10.949 1.00 0.00 N ATOM 2 CA ALA A 2 2.533 -18.640 9.876 1.00 0.00 C ATOM 3 C ALA A 2 2.009 -17.588 8.896 1.00 0.00 C ATOM 4 O ALA A 2 1.162 -16.771 9.253 1.00 0.00 O ATOM 5 CB ALA A 2 2.800 -19.985 9.198 1.00 0.00 C ATOM 0 HA ALA A 2 3.483 -18.280 10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.522 -19.850 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.199 -20.688 9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.869 -20.377 8.788 1.00 0.00 H new ATOM 11 N ASP A 3 2.535 -17.642 7.681 1.00 0.00 N ATOM 12 CA ASP A 3 2.130 -16.705 6.647 1.00 0.00 C ATOM 13 C ASP A 3 2.551 -15.292 7.053 1.00 0.00 C ATOM 14 O ASP A 3 1.813 -14.595 7.748 1.00 0.00 O ATOM 15 CB ASP A 3 0.611 -16.711 6.463 1.00 0.00 C ATOM 16 CG ASP A 3 -0.003 -18.085 6.193 1.00 0.00 C ATOM 17 OD1 ASP A 3 0.714 -18.920 5.601 1.00 0.00 O ATOM 18 OD2 ASP A 3 -1.176 -18.271 6.585 1.00 0.00 O ATOM 0 H ASP A 3 3.239 -18.321 7.389 1.00 0.00 H new ATOM 0 HA ASP A 3 2.608 -17.005 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.150 -16.294 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.358 -16.048 5.636 1.00 0.00 H new ATOM 23 N GLU A 4 3.738 -14.910 6.603 1.00 0.00 N ATOM 24 CA GLU A 4 4.267 -13.592 6.912 1.00 0.00 C ATOM 25 C GLU A 4 5.103 -13.069 5.742 1.00 0.00 C ATOM 26 O GLU A 4 5.895 -12.143 5.905 1.00 0.00 O ATOM 27 CB GLU A 4 5.087 -13.619 8.203 1.00 0.00 C ATOM 28 CG GLU A 4 4.879 -12.337 9.011 1.00 0.00 C ATOM 29 CD GLU A 4 5.683 -12.372 10.312 1.00 0.00 C ATOM 30 OE1 GLU A 4 5.800 -13.481 10.877 1.00 0.00 O ATOM 31 OE2 GLU A 4 6.162 -11.289 10.712 1.00 0.00 O ATOM 0 H GLU A 4 4.348 -15.490 6.027 1.00 0.00 H new ATOM 0 HA GLU A 4 3.429 -12.912 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.799 -14.482 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.144 -13.735 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.181 -11.475 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.820 -12.213 9.237 1.00 0.00 H new ATOM 38 N ALA A 5 4.898 -13.687 4.587 1.00 0.00 N ATOM 39 CA ALA A 5 5.623 -13.295 3.390 1.00 0.00 C ATOM 40 C ALA A 5 4.864 -12.169 2.684 1.00 0.00 C ATOM 41 O ALA A 5 5.423 -11.475 1.836 1.00 0.00 O ATOM 42 CB ALA A 5 5.822 -14.516 2.491 1.00 0.00 C ATOM 0 H ALA A 5 4.241 -14.456 4.455 1.00 0.00 H new ATOM 0 HA ALA A 5 6.612 -12.915 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.366 -14.222 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.392 -15.274 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.851 -14.923 2.210 1.00 0.00 H new ATOM 48 N ILE A 6 3.603 -12.022 3.062 1.00 0.00 N ATOM 49 CA ILE A 6 2.762 -10.993 2.476 1.00 0.00 C ATOM 50 C ILE A 6 2.871 -9.714 3.310 1.00 0.00 C ATOM 51 O ILE A 6 3.133 -8.639 2.772 1.00 0.00 O ATOM 52 CB ILE A 6 1.327 -11.500 2.315 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.168 -12.294 1.017 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.324 -10.348 2.409 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.186 -13.005 0.971 1.00 0.00 C ATOM 0 H ILE A 6 3.143 -12.598 3.767 1.00 0.00 H new ATOM 0 HA ILE A 6 3.105 -10.749 1.470 1.00 0.00 H new ATOM 0 HB ILE A 6 1.112 -12.182 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.260 -11.623 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.971 -13.027 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.688 -10.736 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.416 -9.864 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.528 -9.623 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.273 -13.562 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.265 -13.693 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.986 -12.267 1.029 1.00 0.00 H new ATOM 67 N LYS A 7 2.668 -9.874 4.609 1.00 0.00 N ATOM 68 CA LYS A 7 2.741 -8.746 5.522 1.00 0.00 C ATOM 69 C LYS A 7 4.113 -8.081 5.394 1.00 0.00 C ATOM 70 O LYS A 7 4.232 -6.864 5.531 1.00 0.00 O ATOM 71 CB LYS A 7 2.403 -9.187 6.947 1.00 0.00 C ATOM 72 CG LYS A 7 1.516 -8.155 7.645 1.00 0.00 C ATOM 73 CD LYS A 7 2.349 -6.982 8.168 1.00 0.00 C ATOM 74 CE LYS A 7 2.482 -7.039 9.691 1.00 0.00 C ATOM 75 NZ LYS A 7 3.897 -6.885 10.094 1.00 0.00 N ATOM 0 H LYS A 7 2.453 -10.768 5.051 1.00 0.00 H new ATOM 0 HA LYS A 7 1.996 -7.995 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.895 -10.151 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.322 -9.326 7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.761 -7.788 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.985 -8.626 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.339 -7.003 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.883 -6.041 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.881 -6.251 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.094 -7.988 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.969 -6.926 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.462 -7.652 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.256 -5.969 9.758 1.00 0.00 H new ATOM 89 N ASN A 8 5.115 -8.908 5.133 1.00 0.00 N ATOM 90 CA ASN A 8 6.473 -8.415 4.985 1.00 0.00 C ATOM 91 C ASN A 8 6.635 -7.783 3.600 1.00 0.00 C ATOM 92 O ASN A 8 6.987 -6.611 3.487 1.00 0.00 O ATOM 93 CB ASN A 8 7.488 -9.553 5.106 1.00 0.00 C ATOM 94 CG ASN A 8 8.793 -9.059 5.736 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.014 -7.874 5.917 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.641 -10.033 6.057 1.00 0.00 N ATOM 0 H ASN A 8 5.013 -9.917 5.020 1.00 0.00 H new ATOM 0 HA ASN A 8 6.654 -7.684 5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.069 -10.356 5.712 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.691 -9.970 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.540 -9.807 6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.392 -11.006 5.878 1.00 0.00 H new ATOM 103 N GLY A 9 6.368 -8.589 2.583 1.00 0.00 N ATOM 104 CA GLY A 9 6.479 -8.124 1.212 1.00 0.00 C ATOM 105 C GLY A 9 5.690 -6.829 1.006 1.00 0.00 C ATOM 106 O GLY A 9 6.193 -5.879 0.409 1.00 0.00 O ATOM 0 H GLY A 9 6.075 -9.561 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.527 -7.958 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.108 -8.892 0.533 1.00 0.00 H new ATOM 110 N VAL A 10 4.466 -6.833 1.513 1.00 0.00 N ATOM 111 CA VAL A 10 3.602 -5.671 1.392 1.00 0.00 C ATOM 112 C VAL A 10 4.320 -4.446 1.962 1.00 0.00 C ATOM 113 O VAL A 10 4.292 -3.372 1.363 1.00 0.00 O ATOM 114 CB VAL A 10 2.258 -5.945 2.070 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.596 -4.642 2.523 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.331 -6.741 1.149 1.00 0.00 C ATOM 0 H VAL A 10 4.052 -7.623 2.009 1.00 0.00 H new ATOM 0 HA VAL A 10 3.386 -5.463 0.344 1.00 0.00 H new ATOM 0 HB VAL A 10 2.448 -6.549 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.643 -4.866 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.247 -4.131 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.426 -4.000 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.383 -6.922 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.152 -6.175 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.797 -7.694 0.900 1.00 0.00 H new ATOM 126 N LEU A 11 4.946 -4.649 3.111 1.00 0.00 N ATOM 127 CA LEU A 11 5.670 -3.574 3.769 1.00 0.00 C ATOM 128 C LEU A 11 6.948 -3.271 2.984 1.00 0.00 C ATOM 129 O LEU A 11 7.250 -2.112 2.706 1.00 0.00 O ATOM 130 CB LEU A 11 5.918 -3.915 5.239 1.00 0.00 C ATOM 131 CG LEU A 11 6.020 -2.726 6.197 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.946 -1.681 5.888 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.966 -3.190 7.654 1.00 0.00 C ATOM 0 H LEU A 11 4.967 -5.542 3.604 1.00 0.00 H new ATOM 0 HA LEU A 11 5.074 -2.661 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.112 -4.564 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.841 -4.491 5.307 1.00 0.00 H new ATOM 0 HG LEU A 11 6.988 -2.248 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.040 -0.846 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.073 -1.320 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.959 -2.131 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.040 -2.326 8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.023 -3.706 7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.796 -3.869 7.851 1.00 0.00 H new ATOM 145 N ASP A 12 7.663 -4.334 2.648 1.00 0.00 N ATOM 146 CA ASP A 12 8.902 -4.197 1.900 1.00 0.00 C ATOM 147 C ASP A 12 8.618 -3.478 0.579 1.00 0.00 C ATOM 148 O ASP A 12 9.447 -2.708 0.098 1.00 0.00 O ATOM 149 CB ASP A 12 9.503 -5.566 1.573 1.00 0.00 C ATOM 150 CG ASP A 12 11.030 -5.637 1.649 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.641 -4.557 1.802 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.550 -6.769 1.551 1.00 0.00 O ATOM 0 H ASP A 12 7.409 -5.294 2.880 1.00 0.00 H new ATOM 0 HA ASP A 12 9.605 -3.632 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.085 -6.303 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.190 -5.853 0.569 1.00 0.00 H new ATOM 157 N ILE A 13 7.445 -3.756 0.032 1.00 0.00 N ATOM 158 CA ILE A 13 7.041 -3.145 -1.224 1.00 0.00 C ATOM 159 C ILE A 13 6.502 -1.740 -0.952 1.00 0.00 C ATOM 160 O ILE A 13 6.554 -0.873 -1.823 1.00 0.00 O ATOM 161 CB ILE A 13 6.056 -4.050 -1.967 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.796 -5.079 -2.824 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.068 -3.222 -2.791 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.161 -6.464 -2.687 1.00 0.00 C ATOM 0 H ILE A 13 6.760 -4.396 0.435 1.00 0.00 H new ATOM 0 HA ILE A 13 7.898 -3.034 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 13 5.476 -4.604 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.778 -4.768 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.843 -5.123 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.379 -3.888 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.506 -2.562 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.614 -2.625 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.706 -7.177 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.203 -6.782 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.121 -6.421 -3.012 1.00 0.00 H new ATOM 176 N LEU A 14 5.996 -1.559 0.259 1.00 0.00 N ATOM 177 CA LEU A 14 5.448 -0.273 0.656 1.00 0.00 C ATOM 178 C LEU A 14 6.594 0.684 0.994 1.00 0.00 C ATOM 179 O LEU A 14 6.663 1.788 0.457 1.00 0.00 O ATOM 180 CB LEU A 14 4.440 -0.450 1.794 1.00 0.00 C ATOM 181 CG LEU A 14 2.969 -0.526 1.380 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.780 -1.479 0.198 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.083 -0.906 2.569 1.00 0.00 C ATOM 0 H LEU A 14 5.954 -2.281 0.978 1.00 0.00 H new ATOM 0 HA LEU A 14 4.891 0.174 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.692 -1.361 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.559 0.380 2.491 1.00 0.00 H new ATOM 0 HG LEU A 14 2.657 0.464 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.726 -1.514 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.364 -1.125 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.116 -2.477 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.043 -0.953 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.388 -1.879 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.186 -0.157 3.354 1.00 0.00 H new ATOM 195 N ALA A 15 7.463 0.224 1.881 1.00 0.00 N ATOM 196 CA ALA A 15 8.603 1.025 2.296 1.00 0.00 C ATOM 197 C ALA A 15 9.469 1.343 1.076 1.00 0.00 C ATOM 198 O ALA A 15 10.163 2.358 1.050 1.00 0.00 O ATOM 199 CB ALA A 15 9.379 0.283 3.386 1.00 0.00 C ATOM 0 H ALA A 15 7.401 -0.693 2.324 1.00 0.00 H new ATOM 0 HA ALA A 15 8.272 1.973 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.234 0.884 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.727 0.109 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.730 -0.673 2.996 1.00 0.00 H new ATOM 205 N ASP A 16 9.400 0.455 0.094 1.00 0.00 N ATOM 206 CA ASP A 16 10.170 0.628 -1.127 1.00 0.00 C ATOM 207 C ASP A 16 9.472 1.652 -2.023 1.00 0.00 C ATOM 208 O ASP A 16 10.127 2.503 -2.625 1.00 0.00 O ATOM 209 CB ASP A 16 10.275 -0.687 -1.902 1.00 0.00 C ATOM 210 CG ASP A 16 11.581 -1.457 -1.697 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.541 -0.825 -1.206 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.589 -2.660 -2.035 1.00 0.00 O ATOM 0 H ASP A 16 8.823 -0.386 0.119 1.00 0.00 H new ATOM 0 HA ASP A 16 11.170 0.965 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.443 -1.329 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.159 -0.475 -2.965 1.00 0.00 H new ATOM 217 N LEU A 17 8.154 1.537 -2.084 1.00 0.00 N ATOM 218 CA LEU A 17 7.361 2.443 -2.898 1.00 0.00 C ATOM 219 C LEU A 17 7.642 3.885 -2.471 1.00 0.00 C ATOM 220 O LEU A 17 7.865 4.754 -3.314 1.00 0.00 O ATOM 221 CB LEU A 17 5.881 2.062 -2.836 1.00 0.00 C ATOM 222 CG LEU A 17 5.219 1.723 -4.173 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.081 0.209 -4.349 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.875 2.442 -4.318 1.00 0.00 C ATOM 0 H LEU A 17 7.615 0.831 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 17 7.645 2.359 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.775 1.204 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.333 2.887 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 17 5.865 2.083 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.607 -0.004 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.068 -0.252 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.469 -0.197 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.426 2.184 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.209 2.135 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.032 3.520 -4.269 1.00 0.00 H new ATOM 236 N THR A 18 7.624 4.095 -1.162 1.00 0.00 N ATOM 237 CA THR A 18 7.875 5.417 -0.614 1.00 0.00 C ATOM 238 C THR A 18 9.325 5.834 -0.868 1.00 0.00 C ATOM 239 O THR A 18 9.590 6.973 -1.246 1.00 0.00 O ATOM 240 CB THR A 18 7.501 5.391 0.870 1.00 0.00 C ATOM 241 OG1 THR A 18 8.337 4.379 1.421 1.00 0.00 O ATOM 242 CG2 THR A 18 6.081 4.872 1.106 1.00 0.00 C ATOM 0 H THR A 18 7.440 3.372 -0.466 1.00 0.00 H new ATOM 0 HA THR A 18 7.262 6.172 -1.106 1.00 0.00 H new ATOM 0 HB THR A 18 7.595 6.394 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.765 4.716 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.866 4.874 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.368 5.516 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.996 3.856 0.721 1.00 0.00 H new ATOM 250 N GLY A 19 10.226 4.886 -0.650 1.00 0.00 N ATOM 251 CA GLY A 19 11.642 5.141 -0.851 1.00 0.00 C ATOM 252 C GLY A 19 12.380 5.223 0.488 1.00 0.00 C ATOM 253 O GLY A 19 13.593 5.421 0.521 1.00 0.00 O ATOM 0 H GLY A 19 10.003 3.941 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.075 4.348 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.773 6.073 -1.400 1.00 0.00 H new ATOM 257 N SER A 20 11.615 5.065 1.558 1.00 0.00 N ATOM 258 CA SER A 20 12.180 5.119 2.896 1.00 0.00 C ATOM 259 C SER A 20 11.404 4.188 3.830 1.00 0.00 C ATOM 260 O SER A 20 10.275 3.804 3.531 1.00 0.00 O ATOM 261 CB SER A 20 12.169 6.548 3.442 1.00 0.00 C ATOM 262 OG SER A 20 13.312 6.821 4.249 1.00 0.00 O ATOM 0 H SER A 20 10.609 4.900 1.526 1.00 0.00 H new ATOM 0 HA SER A 20 13.217 4.788 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.135 7.253 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.265 6.704 4.030 1.00 0.00 H new ATOM 0 HG SER A 20 13.268 7.744 4.577 1.00 0.00 H new ATOM 268 N ASP A 21 12.042 3.852 4.941 1.00 0.00 N ATOM 269 CA ASP A 21 11.426 2.972 5.921 1.00 0.00 C ATOM 270 C ASP A 21 10.639 3.812 6.929 1.00 0.00 C ATOM 271 O ASP A 21 10.924 3.779 8.126 1.00 0.00 O ATOM 272 CB ASP A 21 12.483 2.177 6.690 1.00 0.00 C ATOM 273 CG ASP A 21 13.838 2.872 6.831 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.654 2.720 5.895 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.028 3.540 7.870 1.00 0.00 O ATOM 0 H ASP A 21 12.979 4.173 5.185 1.00 0.00 H new ATOM 0 HA ASP A 21 10.772 2.280 5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.098 1.958 7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.632 1.221 6.189 1.00 0.00 H new ATOM 280 N ASP A 22 9.666 4.545 6.409 1.00 0.00 N ATOM 281 CA ASP A 22 8.836 5.391 7.249 1.00 0.00 C ATOM 282 C ASP A 22 7.515 4.677 7.540 1.00 0.00 C ATOM 283 O ASP A 22 7.047 4.668 8.677 1.00 0.00 O ATOM 284 CB ASP A 22 8.515 6.715 6.552 1.00 0.00 C ATOM 285 CG ASP A 22 8.604 7.955 7.444 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.095 7.872 8.582 1.00 0.00 O ATOM 287 OD2 ASP A 22 9.178 8.956 6.966 1.00 0.00 O ATOM 0 H ASP A 22 9.434 4.571 5.416 1.00 0.00 H new ATOM 0 HA ASP A 22 9.384 5.592 8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.198 6.841 5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.508 6.655 6.138 1.00 0.00 H new ATOM 292 N VAL A 23 6.952 4.095 6.492 1.00 0.00 N ATOM 293 CA VAL A 23 5.693 3.379 6.620 1.00 0.00 C ATOM 294 C VAL A 23 5.966 1.967 7.139 1.00 0.00 C ATOM 295 O VAL A 23 5.053 1.286 7.606 1.00 0.00 O ATOM 296 CB VAL A 23 4.946 3.392 5.285 1.00 0.00 C ATOM 297 CG1 VAL A 23 4.815 4.816 4.743 1.00 0.00 C ATOM 298 CG2 VAL A 23 5.629 2.478 4.266 1.00 0.00 C ATOM 0 H VAL A 23 7.344 4.104 5.550 1.00 0.00 H new ATOM 0 HA VAL A 23 5.044 3.872 7.344 1.00 0.00 H new ATOM 0 HB VAL A 23 3.941 3.007 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.280 4.796 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.264 5.428 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.807 5.240 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.078 2.505 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.650 2.819 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.646 1.457 4.647 1.00 0.00 H new ATOM 308 N LYS A 24 7.225 1.567 7.041 1.00 0.00 N ATOM 309 CA LYS A 24 7.630 0.247 7.495 1.00 0.00 C ATOM 310 C LYS A 24 7.352 0.120 8.994 1.00 0.00 C ATOM 311 O LYS A 24 7.183 -0.985 9.507 1.00 0.00 O ATOM 312 CB LYS A 24 9.085 -0.028 7.114 1.00 0.00 C ATOM 313 CG LYS A 24 9.468 -1.477 7.421 1.00 0.00 C ATOM 314 CD LYS A 24 9.434 -2.334 6.154 1.00 0.00 C ATOM 315 CE LYS A 24 10.827 -2.870 5.817 1.00 0.00 C ATOM 316 NZ LYS A 24 10.883 -4.335 6.021 1.00 0.00 N ATOM 0 H LYS A 24 7.979 2.134 6.654 1.00 0.00 H new ATOM 0 HA LYS A 24 7.043 -0.524 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.231 0.173 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.742 0.649 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.466 -1.508 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.782 -1.889 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.744 -3.166 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.057 -1.742 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.074 -2.631 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.573 -2.381 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.835 -4.682 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.668 -4.556 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.185 -4.798 5.405 1.00 0.00 H new ATOM 330 N LYS A 25 7.312 1.269 9.655 1.00 0.00 N ATOM 331 CA LYS A 25 7.059 1.300 11.085 1.00 0.00 C ATOM 332 C LYS A 25 5.615 1.745 11.332 1.00 0.00 C ATOM 333 O LYS A 25 4.771 0.938 11.720 1.00 0.00 O ATOM 334 CB LYS A 25 8.099 2.169 11.795 1.00 0.00 C ATOM 335 CG LYS A 25 7.986 2.028 13.314 1.00 0.00 C ATOM 336 CD LYS A 25 7.040 3.081 13.894 1.00 0.00 C ATOM 337 CE LYS A 25 7.805 4.096 14.746 1.00 0.00 C ATOM 338 NZ LYS A 25 6.950 4.602 15.842 1.00 0.00 N ATOM 0 H LYS A 25 7.451 2.184 9.226 1.00 0.00 H new ATOM 0 HA LYS A 25 7.165 0.303 11.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.100 1.881 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.961 3.212 11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.623 1.031 13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.972 2.131 13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.524 3.596 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.276 2.594 14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.700 3.631 15.160 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.137 4.926 14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.485 5.290 16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.109 5.064 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.655 3.809 16.446 1.00 0.00 H new ATOM 352 N ASN A 26 5.376 3.026 11.099 1.00 0.00 N ATOM 353 CA ASN A 26 4.050 3.587 11.291 1.00 0.00 C ATOM 354 C ASN A 26 3.045 2.814 10.435 1.00 0.00 C ATOM 355 O ASN A 26 3.325 2.492 9.282 1.00 0.00 O ATOM 356 CB ASN A 26 4.005 5.056 10.862 1.00 0.00 C ATOM 357 CG ASN A 26 3.760 5.971 12.065 1.00 0.00 C ATOM 358 OD1 ASN A 26 3.437 5.531 13.157 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.929 7.263 11.804 1.00 0.00 N ATOM 0 H ASN A 26 6.079 3.692 10.779 1.00 0.00 H new ATOM 0 HA ASN A 26 3.803 3.513 12.350 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.944 5.327 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.215 5.199 10.125 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.788 7.955 12.540 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.200 7.563 10.868 1.00 0.00 H new ATOM 366 N LEU A 27 1.894 2.540 11.032 1.00 0.00 N ATOM 367 CA LEU A 27 0.846 1.811 10.339 1.00 0.00 C ATOM 368 C LEU A 27 -0.320 2.758 10.047 1.00 0.00 C ATOM 369 O LEU A 27 -1.477 2.341 10.043 1.00 0.00 O ATOM 370 CB LEU A 27 0.444 0.566 11.132 1.00 0.00 C ATOM 371 CG LEU A 27 1.547 -0.467 11.363 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.429 -1.095 12.753 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.549 -1.523 10.255 1.00 0.00 C ATOM 0 H LEU A 27 1.665 2.810 11.988 1.00 0.00 H new ATOM 0 HA LEU A 27 1.208 1.445 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.063 0.885 12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.380 0.078 10.611 1.00 0.00 H new ATOM 0 HG LEU A 27 2.508 0.045 11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.226 -1.826 12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.515 -0.317 13.512 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.462 -1.590 12.848 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.343 -2.246 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.587 -2.036 10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.718 -1.040 9.293 1.00 0.00 H new ATOM 385 N ASP A 28 0.025 4.015 9.808 1.00 0.00 N ATOM 386 CA ASP A 28 -0.979 5.024 9.515 1.00 0.00 C ATOM 387 C ASP A 28 -0.297 6.254 8.911 1.00 0.00 C ATOM 388 O ASP A 28 -0.761 7.378 9.096 1.00 0.00 O ATOM 389 CB ASP A 28 -1.705 5.463 10.788 1.00 0.00 C ATOM 390 CG ASP A 28 -3.222 5.271 10.766 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.648 4.100 10.871 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.923 6.299 10.644 1.00 0.00 O ATOM 0 H ASP A 28 0.986 4.358 9.811 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.699 4.593 8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.296 4.907 11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.490 6.517 10.966 1.00 0.00 H new ATOM 397 N LEU A 29 0.791 5.998 8.202 1.00 0.00 N ATOM 398 CA LEU A 29 1.540 7.070 7.568 1.00 0.00 C ATOM 399 C LEU A 29 1.020 7.278 6.144 1.00 0.00 C ATOM 400 O LEU A 29 1.341 6.505 5.243 1.00 0.00 O ATOM 401 CB LEU A 29 3.042 6.790 7.639 1.00 0.00 C ATOM 402 CG LEU A 29 3.958 7.902 7.125 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.250 8.924 8.227 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.241 7.324 6.526 1.00 0.00 C ATOM 0 H LEU A 29 1.173 5.064 8.052 1.00 0.00 H new ATOM 0 HA LEU A 29 1.389 8.007 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.304 6.582 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.250 5.884 7.070 1.00 0.00 H new ATOM 0 HG LEU A 29 3.439 8.429 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.903 9.704 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.315 9.370 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.740 8.427 9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.874 8.136 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.775 6.757 7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.990 6.666 5.694 1.00 0.00 H new ATOM 416 N ASN A 30 0.226 8.328 5.986 1.00 0.00 N ATOM 417 CA ASN A 30 -0.341 8.647 4.687 1.00 0.00 C ATOM 418 C ASN A 30 0.699 8.372 3.599 1.00 0.00 C ATOM 419 O ASN A 30 1.825 8.860 3.674 1.00 0.00 O ATOM 420 CB ASN A 30 -0.731 10.124 4.604 1.00 0.00 C ATOM 421 CG ASN A 30 -1.457 10.571 5.875 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.111 11.557 6.505 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.483 9.794 6.213 1.00 0.00 N ATOM 0 H ASN A 30 -0.037 8.968 6.736 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.229 8.030 4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.162 10.732 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.373 10.286 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.034 10.009 7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.719 8.983 5.641 1.00 0.00 H new ATOM 430 N LEU A 31 0.283 7.590 2.613 1.00 0.00 N ATOM 431 CA LEU A 31 1.166 7.243 1.511 1.00 0.00 C ATOM 432 C LEU A 31 1.045 8.304 0.415 1.00 0.00 C ATOM 433 O LEU A 31 1.917 8.415 -0.446 1.00 0.00 O ATOM 434 CB LEU A 31 0.882 5.821 1.026 1.00 0.00 C ATOM 435 CG LEU A 31 1.149 4.702 2.034 1.00 0.00 C ATOM 436 CD1 LEU A 31 -0.107 3.858 2.262 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.342 3.848 1.601 1.00 0.00 C ATOM 0 H LEU A 31 -0.652 7.187 2.554 1.00 0.00 H new ATOM 0 HA LEU A 31 2.205 7.241 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.162 5.765 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.485 5.634 0.138 1.00 0.00 H new ATOM 0 HG LEU A 31 1.409 5.158 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.110 3.070 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.906 4.491 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.421 3.411 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.511 3.060 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.135 3.401 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.231 4.474 1.531 1.00 0.00 H new ATOM 449 N PHE A 32 -0.044 9.057 0.480 1.00 0.00 N ATOM 450 CA PHE A 32 -0.290 10.104 -0.497 1.00 0.00 C ATOM 451 C PHE A 32 -0.098 11.489 0.125 1.00 0.00 C ATOM 452 O PHE A 32 0.512 12.366 -0.483 1.00 0.00 O ATOM 453 CB PHE A 32 -1.743 9.958 -0.952 1.00 0.00 C ATOM 454 CG PHE A 32 -1.929 9.029 -2.153 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.348 9.334 -3.344 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.675 7.899 -2.030 1.00 0.00 C ATOM 457 CE1 PHE A 32 -1.521 8.471 -4.459 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.848 7.037 -3.144 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.268 7.341 -4.336 1.00 0.00 C ATOM 0 H PHE A 32 -0.766 8.962 1.194 1.00 0.00 H new ATOM 0 HA PHE A 32 0.408 10.009 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.338 9.582 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.135 10.943 -1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.756 10.232 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.136 7.657 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.059 8.712 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.440 6.139 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.400 6.686 -5.184 1.00 0.00 H new ATOM 469 N GLU A 33 -0.632 11.641 1.328 1.00 0.00 N ATOM 470 CA GLU A 33 -0.528 12.905 2.038 1.00 0.00 C ATOM 471 C GLU A 33 0.924 13.167 2.445 1.00 0.00 C ATOM 472 O GLU A 33 1.279 14.288 2.805 1.00 0.00 O ATOM 473 CB GLU A 33 -1.451 12.926 3.257 1.00 0.00 C ATOM 474 CG GLU A 33 -2.141 14.285 3.399 1.00 0.00 C ATOM 475 CD GLU A 33 -3.446 14.157 4.186 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.352 13.880 5.401 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.509 14.341 3.554 1.00 0.00 O ATOM 0 H GLU A 33 -1.138 10.910 1.829 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.847 13.703 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.201 12.141 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.875 12.710 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.475 14.984 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.347 14.698 2.411 1.00 0.00 H new ATOM 484 N THR A 34 1.725 12.113 2.373 1.00 0.00 N ATOM 485 CA THR A 34 3.130 12.215 2.729 1.00 0.00 C ATOM 486 C THR A 34 3.975 12.506 1.488 1.00 0.00 C ATOM 487 O THR A 34 5.128 12.917 1.601 1.00 0.00 O ATOM 488 CB THR A 34 3.530 10.924 3.447 1.00 0.00 C ATOM 489 OG1 THR A 34 2.686 10.890 4.596 1.00 0.00 O ATOM 490 CG2 THR A 34 4.945 10.991 4.026 1.00 0.00 C ATOM 0 H THR A 34 1.427 11.185 2.073 1.00 0.00 H new ATOM 0 HA THR A 34 3.307 13.050 3.407 1.00 0.00 H new ATOM 0 HB THR A 34 3.461 10.086 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.149 10.070 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.179 10.050 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.660 11.163 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.005 11.808 4.745 1.00 0.00 H new ATOM 498 N GLY A 35 3.367 12.283 0.332 1.00 0.00 N ATOM 499 CA GLY A 35 4.049 12.518 -0.929 1.00 0.00 C ATOM 500 C GLY A 35 5.010 11.371 -1.255 1.00 0.00 C ATOM 501 O GLY A 35 5.636 11.362 -2.313 1.00 0.00 O ATOM 0 H GLY A 35 2.410 11.942 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.316 12.622 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.601 13.457 -0.879 1.00 0.00 H new ATOM 505 N LEU A 36 5.096 10.431 -0.324 1.00 0.00 N ATOM 506 CA LEU A 36 5.969 9.284 -0.498 1.00 0.00 C ATOM 507 C LEU A 36 5.891 8.803 -1.948 1.00 0.00 C ATOM 508 O LEU A 36 6.906 8.442 -2.542 1.00 0.00 O ATOM 509 CB LEU A 36 5.637 8.198 0.528 1.00 0.00 C ATOM 510 CG LEU A 36 5.923 8.546 1.991 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.383 7.465 2.928 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.415 8.803 2.211 1.00 0.00 C ATOM 0 H LEU A 36 4.575 10.441 0.553 1.00 0.00 H new ATOM 0 HA LEU A 36 7.006 9.563 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.580 7.949 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.200 7.300 0.272 1.00 0.00 H new ATOM 0 HG LEU A 36 5.398 9.470 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.600 7.737 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.305 7.374 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.859 6.512 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.591 9.048 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.981 7.910 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.737 9.635 1.584 1.00 0.00 H new ATOM 524 N LEU A 37 4.676 8.816 -2.477 1.00 0.00 N ATOM 525 CA LEU A 37 4.451 8.386 -3.847 1.00 0.00 C ATOM 526 C LEU A 37 3.506 9.371 -4.538 1.00 0.00 C ATOM 527 O LEU A 37 3.122 10.383 -3.952 1.00 0.00 O ATOM 528 CB LEU A 37 3.963 6.937 -3.881 1.00 0.00 C ATOM 529 CG LEU A 37 2.927 6.554 -2.821 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.564 7.171 -3.138 1.00 0.00 C ATOM 531 CD2 LEU A 37 2.845 5.035 -2.659 1.00 0.00 C ATOM 0 H LEU A 37 3.837 9.118 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 37 5.386 8.395 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.537 6.741 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.826 6.281 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 37 3.250 6.963 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.847 6.883 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.653 8.257 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.219 6.813 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.102 4.790 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.557 4.583 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.817 4.649 -2.353 1.00 0.00 H new ATOM 543 N ASP A 38 3.158 9.041 -5.772 1.00 0.00 N ATOM 544 CA ASP A 38 2.265 9.883 -6.549 1.00 0.00 C ATOM 545 C ASP A 38 1.771 9.106 -7.770 1.00 0.00 C ATOM 546 O ASP A 38 2.570 8.667 -8.597 1.00 0.00 O ATOM 547 CB ASP A 38 2.985 11.138 -7.047 1.00 0.00 C ATOM 548 CG ASP A 38 3.779 11.894 -5.980 1.00 0.00 C ATOM 549 OD1 ASP A 38 4.953 11.517 -5.771 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.195 12.833 -5.397 1.00 0.00 O ATOM 0 H ASP A 38 3.479 8.201 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 38 1.434 10.175 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.664 10.854 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.247 11.815 -7.477 1.00 0.00 H new ATOM 555 N SER A 39 0.456 8.960 -7.847 1.00 0.00 N ATOM 556 CA SER A 39 -0.154 8.243 -8.953 1.00 0.00 C ATOM 557 C SER A 39 0.582 6.923 -9.192 1.00 0.00 C ATOM 558 O SER A 39 0.201 5.889 -8.646 1.00 0.00 O ATOM 559 CB SER A 39 -0.150 9.091 -10.228 1.00 0.00 C ATOM 560 OG SER A 39 -1.420 9.685 -10.477 1.00 0.00 O ATOM 0 H SER A 39 -0.204 9.326 -7.161 1.00 0.00 H new ATOM 0 HA SER A 39 -1.191 8.031 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.605 9.872 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.132 8.468 -11.077 1.00 0.00 H new ATOM 0 HG SER A 39 -1.376 10.219 -11.298 1.00 0.00 H new ATOM 566 N MET A 40 1.623 7.002 -10.007 1.00 0.00 N ATOM 567 CA MET A 40 2.416 5.827 -10.324 1.00 0.00 C ATOM 568 C MET A 40 2.496 4.879 -9.124 1.00 0.00 C ATOM 569 O MET A 40 2.489 3.661 -9.290 1.00 0.00 O ATOM 570 CB MET A 40 3.827 6.256 -10.730 1.00 0.00 C ATOM 571 CG MET A 40 3.871 6.671 -12.203 1.00 0.00 C ATOM 572 SD MET A 40 4.750 5.445 -13.156 1.00 0.00 S ATOM 573 CE MET A 40 3.495 4.181 -13.269 1.00 0.00 C ATOM 0 H MET A 40 1.936 7.862 -10.458 1.00 0.00 H new ATOM 0 HA MET A 40 1.936 5.300 -11.149 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.153 7.087 -10.104 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.524 5.436 -10.558 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.858 6.785 -12.588 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.360 7.640 -12.302 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.841 3.383 -13.926 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.297 3.775 -12.277 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.579 4.612 -13.674 1.00 0.00 H new ATOM 583 N GLY A 41 2.571 5.476 -7.945 1.00 0.00 N ATOM 584 CA GLY A 41 2.653 4.701 -6.718 1.00 0.00 C ATOM 585 C GLY A 41 1.526 3.669 -6.646 1.00 0.00 C ATOM 586 O GLY A 41 1.748 2.485 -6.893 1.00 0.00 O ATOM 0 H GLY A 41 2.577 6.487 -7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.618 4.196 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.596 5.368 -5.858 1.00 0.00 H new ATOM 590 N THR A 42 0.342 4.155 -6.306 1.00 0.00 N ATOM 591 CA THR A 42 -0.820 3.290 -6.198 1.00 0.00 C ATOM 592 C THR A 42 -0.892 2.342 -7.397 1.00 0.00 C ATOM 593 O THR A 42 -1.475 1.263 -7.306 1.00 0.00 O ATOM 594 CB THR A 42 -2.058 4.176 -6.048 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.376 4.098 -4.661 1.00 0.00 O ATOM 596 CG2 THR A 42 -3.286 3.590 -6.747 1.00 0.00 C ATOM 0 H THR A 42 0.162 5.138 -6.101 1.00 0.00 H new ATOM 0 HA THR A 42 -0.755 2.648 -5.319 1.00 0.00 H new ATOM 0 HB THR A 42 -1.847 5.165 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.425 5.002 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.136 4.258 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.080 3.479 -7.812 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.518 2.615 -6.319 1.00 0.00 H new ATOM 604 N VAL A 43 -0.293 2.781 -8.494 1.00 0.00 N ATOM 605 CA VAL A 43 -0.282 1.985 -9.710 1.00 0.00 C ATOM 606 C VAL A 43 0.720 0.840 -9.556 1.00 0.00 C ATOM 607 O VAL A 43 0.363 -0.327 -9.710 1.00 0.00 O ATOM 608 CB VAL A 43 0.013 2.878 -10.917 1.00 0.00 C ATOM 609 CG1 VAL A 43 0.632 2.071 -12.059 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.251 3.606 -11.382 1.00 0.00 C ATOM 0 H VAL A 43 0.188 3.677 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.261 1.539 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 43 0.739 3.630 -10.607 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.831 2.730 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.566 1.621 -11.722 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.059 1.286 -12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.014 4.234 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.009 2.875 -11.665 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.632 4.228 -10.572 1.00 0.00 H new ATOM 620 N GLN A 44 1.955 1.213 -9.252 1.00 0.00 N ATOM 621 CA GLN A 44 3.011 0.231 -9.076 1.00 0.00 C ATOM 622 C GLN A 44 2.676 -0.707 -7.914 1.00 0.00 C ATOM 623 O GLN A 44 2.729 -1.927 -8.060 1.00 0.00 O ATOM 624 CB GLN A 44 4.364 0.912 -8.858 1.00 0.00 C ATOM 625 CG GLN A 44 5.516 -0.060 -9.117 1.00 0.00 C ATOM 626 CD GLN A 44 6.711 0.661 -9.744 1.00 0.00 C ATOM 627 OE1 GLN A 44 7.024 1.795 -9.421 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.358 -0.058 -10.657 1.00 0.00 N ATOM 0 H GLN A 44 2.247 2.182 -9.123 1.00 0.00 H new ATOM 0 HA GLN A 44 3.083 -0.362 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.453 1.772 -9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.425 1.289 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.819 -0.528 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.181 -0.859 -9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.043 -1.002 -10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.170 0.335 -11.134 1.00 0.00 H new ATOM 637 N LEU A 45 2.338 -0.101 -6.785 1.00 0.00 N ATOM 638 CA LEU A 45 1.993 -0.865 -5.599 1.00 0.00 C ATOM 639 C LEU A 45 0.936 -1.910 -5.959 1.00 0.00 C ATOM 640 O LEU A 45 0.914 -3.000 -5.389 1.00 0.00 O ATOM 641 CB LEU A 45 1.572 0.069 -4.463 1.00 0.00 C ATOM 642 CG LEU A 45 0.245 -0.263 -3.778 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.277 -1.667 -3.172 1.00 0.00 C ATOM 644 CD2 LEU A 45 -0.118 0.801 -2.741 1.00 0.00 C ATOM 0 H LEU A 45 2.296 0.911 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 45 2.864 -1.407 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.358 0.067 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.511 1.083 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.540 -0.257 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.678 -1.878 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.456 -2.399 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.076 -1.726 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.065 0.541 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.663 0.852 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.211 1.770 -3.231 1.00 0.00 H new ATOM 656 N LEU A 46 0.084 -1.541 -6.904 1.00 0.00 N ATOM 657 CA LEU A 46 -0.974 -2.433 -7.348 1.00 0.00 C ATOM 658 C LEU A 46 -0.372 -3.539 -8.217 1.00 0.00 C ATOM 659 O LEU A 46 -0.896 -4.650 -8.266 1.00 0.00 O ATOM 660 CB LEU A 46 -2.085 -1.642 -8.042 1.00 0.00 C ATOM 661 CG LEU A 46 -3.328 -1.350 -7.197 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.385 -0.609 -8.018 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.882 -2.634 -6.575 1.00 0.00 C ATOM 0 H LEU A 46 0.105 -0.636 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.446 -2.919 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.670 -0.693 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.395 -2.192 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.038 -0.694 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.258 -0.413 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.973 0.336 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.678 -1.221 -8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.764 -2.399 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.153 -3.334 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.123 -3.085 -5.936 1.00 0.00 H new ATOM 675 N LEU A 47 0.722 -3.195 -8.882 1.00 0.00 N ATOM 676 CA LEU A 47 1.401 -4.146 -9.747 1.00 0.00 C ATOM 677 C LEU A 47 2.046 -5.237 -8.890 1.00 0.00 C ATOM 678 O LEU A 47 2.063 -6.405 -9.277 1.00 0.00 O ATOM 679 CB LEU A 47 2.387 -3.423 -10.667 1.00 0.00 C ATOM 680 CG LEU A 47 2.198 -3.654 -12.167 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.560 -5.090 -12.551 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.778 -3.286 -12.604 1.00 0.00 C ATOM 0 H LEU A 47 1.155 -2.272 -8.839 1.00 0.00 H new ATOM 0 HA LEU A 47 0.687 -4.639 -10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.316 -2.353 -10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.397 -3.730 -10.397 1.00 0.00 H new ATOM 0 HG LEU A 47 2.882 -2.995 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.417 -5.227 -13.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.602 -5.283 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.919 -5.784 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.670 -3.460 -13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.060 -3.902 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.591 -2.234 -12.386 1.00 0.00 H new ATOM 694 N GLU A 48 2.559 -4.818 -7.743 1.00 0.00 N ATOM 695 CA GLU A 48 3.203 -5.746 -6.829 1.00 0.00 C ATOM 696 C GLU A 48 2.154 -6.488 -5.998 1.00 0.00 C ATOM 697 O GLU A 48 2.413 -7.582 -5.499 1.00 0.00 O ATOM 698 CB GLU A 48 4.204 -5.021 -5.926 1.00 0.00 C ATOM 699 CG GLU A 48 5.643 -5.375 -6.307 1.00 0.00 C ATOM 700 CD GLU A 48 5.833 -5.339 -7.825 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.501 -4.287 -8.413 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.307 -6.362 -8.362 1.00 0.00 O ATOM 0 H GLU A 48 2.542 -3.849 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 48 3.757 -6.478 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.057 -3.944 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.023 -5.291 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.331 -4.674 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.889 -6.367 -5.930 1.00 0.00 H new ATOM 709 N LEU A 49 0.991 -5.863 -5.877 1.00 0.00 N ATOM 710 CA LEU A 49 -0.097 -6.451 -5.115 1.00 0.00 C ATOM 711 C LEU A 49 -0.896 -7.391 -6.021 1.00 0.00 C ATOM 712 O LEU A 49 -1.746 -8.142 -5.544 1.00 0.00 O ATOM 713 CB LEU A 49 -0.946 -5.357 -4.464 1.00 0.00 C ATOM 714 CG LEU A 49 -0.416 -4.796 -3.143 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.494 -3.986 -2.420 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.151 -5.910 -2.261 1.00 0.00 C ATOM 0 H LEU A 49 0.779 -4.956 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 49 0.293 -7.052 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.047 -4.534 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.946 -5.755 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 49 0.404 -4.114 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.092 -3.598 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.809 -3.155 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.350 -4.627 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.521 -5.483 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.633 -6.635 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.969 -6.406 -2.783 1.00 0.00 H new ATOM 728 N GLN A 50 -0.596 -7.319 -7.309 1.00 0.00 N ATOM 729 CA GLN A 50 -1.275 -8.154 -8.283 1.00 0.00 C ATOM 730 C GLN A 50 -0.293 -9.149 -8.907 1.00 0.00 C ATOM 731 O GLN A 50 -0.582 -9.746 -9.942 1.00 0.00 O ATOM 732 CB GLN A 50 -1.950 -7.303 -9.361 1.00 0.00 C ATOM 733 CG GLN A 50 -2.956 -8.131 -10.164 1.00 0.00 C ATOM 734 CD GLN A 50 -2.949 -7.721 -11.638 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.143 -8.176 -12.433 1.00 0.00 O ATOM 736 NE2 GLN A 50 -3.891 -6.836 -11.957 1.00 0.00 N ATOM 0 H GLN A 50 0.109 -6.694 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.055 -8.716 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.458 -6.458 -8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.195 -6.892 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.714 -9.190 -10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.955 -7.997 -9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.534 -6.496 -11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.970 -6.498 -12.916 1.00 0.00 H new ATOM 745 N SER A 51 0.847 -9.297 -8.248 1.00 0.00 N ATOM 746 CA SER A 51 1.873 -10.209 -8.725 1.00 0.00 C ATOM 747 C SER A 51 2.122 -11.305 -7.686 1.00 0.00 C ATOM 748 O SER A 51 2.012 -12.491 -7.992 1.00 0.00 O ATOM 749 CB SER A 51 3.173 -9.463 -9.030 1.00 0.00 C ATOM 750 OG SER A 51 3.480 -9.475 -10.422 1.00 0.00 O ATOM 0 H SER A 51 1.083 -8.801 -7.388 1.00 0.00 H new ATOM 0 HA SER A 51 1.522 -10.666 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.089 -8.432 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.992 -9.919 -8.474 1.00 0.00 H new ATOM 0 HG SER A 51 4.316 -8.987 -10.577 1.00 0.00 H new ATOM 756 N GLN A 52 2.453 -10.868 -6.479 1.00 0.00 N ATOM 757 CA GLN A 52 2.719 -11.798 -5.394 1.00 0.00 C ATOM 758 C GLN A 52 1.429 -12.107 -4.632 1.00 0.00 C ATOM 759 O GLN A 52 1.337 -13.123 -3.946 1.00 0.00 O ATOM 760 CB GLN A 52 3.795 -11.250 -4.454 1.00 0.00 C ATOM 761 CG GLN A 52 5.149 -11.166 -5.161 1.00 0.00 C ATOM 762 CD GLN A 52 6.027 -12.368 -4.807 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.743 -13.502 -5.157 1.00 0.00 O ATOM 764 NE2 GLN A 52 7.107 -12.058 -4.095 1.00 0.00 N ATOM 0 H GLN A 52 2.543 -9.883 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 52 3.096 -12.727 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.504 -10.261 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.878 -11.892 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.998 -11.126 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.656 -10.244 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.285 -11.088 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.757 -12.790 -3.809 1.00 0.00 H new ATOM 773 N PHE A 53 0.464 -11.209 -4.779 1.00 0.00 N ATOM 774 CA PHE A 53 -0.816 -11.373 -4.112 1.00 0.00 C ATOM 775 C PHE A 53 -1.961 -11.415 -5.126 1.00 0.00 C ATOM 776 O PHE A 53 -3.108 -11.670 -4.763 1.00 0.00 O ATOM 777 CB PHE A 53 -1.004 -10.158 -3.199 1.00 0.00 C ATOM 778 CG PHE A 53 0.286 -9.679 -2.530 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.232 -9.033 -3.263 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.485 -9.897 -1.202 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.429 -8.588 -2.641 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.681 -9.452 -0.581 1.00 0.00 C ATOM 783 CZ PHE A 53 2.628 -8.806 -1.313 1.00 0.00 C ATOM 0 H PHE A 53 0.544 -10.367 -5.349 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.827 -12.308 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.425 -9.339 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.732 -10.406 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.073 -8.859 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.267 -10.409 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.182 -8.076 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.839 -9.626 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.538 -8.466 -0.840 1.00 0.00 H new ATOM 793 N GLY A 54 -1.609 -11.159 -6.378 1.00 0.00 N ATOM 794 CA GLY A 54 -2.593 -11.165 -7.448 1.00 0.00 C ATOM 795 C GLY A 54 -3.915 -10.555 -6.979 1.00 0.00 C ATOM 796 O GLY A 54 -4.988 -11.018 -7.363 1.00 0.00 O ATOM 0 H GLY A 54 -0.657 -10.946 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.212 -10.604 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.760 -12.187 -7.788 1.00 0.00 H new ATOM 800 N VAL A 55 -3.795 -9.523 -6.156 1.00 0.00 N ATOM 801 CA VAL A 55 -4.968 -8.844 -5.631 1.00 0.00 C ATOM 802 C VAL A 55 -5.726 -8.181 -6.783 1.00 0.00 C ATOM 803 O VAL A 55 -5.191 -8.033 -7.880 1.00 0.00 O ATOM 804 CB VAL A 55 -4.556 -7.855 -4.539 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.182 -6.499 -5.141 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.659 -7.704 -3.490 1.00 0.00 C ATOM 0 H VAL A 55 -2.904 -9.141 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.646 -9.559 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.673 -8.255 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.893 -5.814 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.348 -6.625 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.038 -6.090 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.340 -6.995 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.568 -7.338 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.857 -8.671 -3.028 1.00 0.00 H new ATOM 816 N ASP A 56 -6.962 -7.799 -6.494 1.00 0.00 N ATOM 817 CA ASP A 56 -7.799 -7.156 -7.492 1.00 0.00 C ATOM 818 C ASP A 56 -8.514 -5.961 -6.857 1.00 0.00 C ATOM 819 O ASP A 56 -9.417 -6.136 -6.040 1.00 0.00 O ATOM 820 CB ASP A 56 -8.864 -8.118 -8.021 1.00 0.00 C ATOM 821 CG ASP A 56 -9.875 -7.496 -8.986 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.437 -7.093 -10.085 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.063 -7.439 -8.604 1.00 0.00 O ATOM 0 H ASP A 56 -7.403 -7.923 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.159 -6.839 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.366 -8.946 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.405 -8.539 -7.174 1.00 0.00 H new ATOM 828 N ALA A 57 -8.085 -4.773 -7.258 1.00 0.00 N ATOM 829 CA ALA A 57 -8.673 -3.551 -6.738 1.00 0.00 C ATOM 830 C ALA A 57 -9.051 -2.637 -7.906 1.00 0.00 C ATOM 831 O ALA A 57 -8.554 -2.805 -9.018 1.00 0.00 O ATOM 832 CB ALA A 57 -7.694 -2.884 -5.770 1.00 0.00 C ATOM 0 H ALA A 57 -7.337 -4.631 -7.937 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.584 -3.770 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.136 -1.967 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.479 -3.563 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.769 -2.646 -6.295 1.00 0.00 H new ATOM 838 N PRO A 58 -9.951 -1.662 -7.605 1.00 0.00 N ATOM 839 CA PRO A 58 -10.402 -0.721 -8.615 1.00 0.00 C ATOM 840 C PRO A 58 -9.322 0.321 -8.915 1.00 0.00 C ATOM 841 O PRO A 58 -8.240 0.286 -8.329 1.00 0.00 O ATOM 842 CB PRO A 58 -11.673 -0.112 -8.047 1.00 0.00 C ATOM 843 CG PRO A 58 -11.635 -0.387 -6.552 1.00 0.00 C ATOM 844 CD PRO A 58 -10.561 -1.431 -6.298 1.00 0.00 C ATOM 0 HA PRO A 58 -10.600 -1.198 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.716 0.959 -8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.557 -0.557 -8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.416 0.528 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.604 -0.744 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.826 -1.075 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.988 -2.348 -5.893 1.00 0.00 H new ATOM 852 N VAL A 59 -9.653 1.224 -9.825 1.00 0.00 N ATOM 853 CA VAL A 59 -8.725 2.275 -10.210 1.00 0.00 C ATOM 854 C VAL A 59 -9.513 3.513 -10.640 1.00 0.00 C ATOM 855 O VAL A 59 -9.190 4.630 -10.237 1.00 0.00 O ATOM 856 CB VAL A 59 -7.776 1.763 -11.296 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.527 2.642 -11.391 1.00 0.00 C ATOM 858 CG2 VAL A 59 -7.401 0.300 -11.050 1.00 0.00 C ATOM 0 H VAL A 59 -10.551 1.250 -10.308 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.103 2.564 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.298 1.819 -12.252 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.869 2.257 -12.170 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.819 3.664 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.002 2.633 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.726 -0.040 -11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.907 0.209 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.302 -0.313 -11.056 1.00 0.00 H new ATOM 868 N SER A 60 -10.533 3.275 -11.452 1.00 0.00 N ATOM 869 CA SER A 60 -11.369 4.357 -11.941 1.00 0.00 C ATOM 870 C SER A 60 -11.555 5.410 -10.846 1.00 0.00 C ATOM 871 O SER A 60 -11.663 6.601 -11.137 1.00 0.00 O ATOM 872 CB SER A 60 -12.728 3.834 -12.411 1.00 0.00 C ATOM 873 OG SER A 60 -13.316 2.949 -11.462 1.00 0.00 O ATOM 0 H SER A 60 -10.799 2.348 -11.783 1.00 0.00 H new ATOM 0 HA SER A 60 -10.871 4.815 -12.796 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.399 4.675 -12.587 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.608 3.317 -13.363 1.00 0.00 H new ATOM 0 HG SER A 60 -14.183 2.638 -11.798 1.00 0.00 H new ATOM 879 N GLU A 61 -11.587 4.934 -9.610 1.00 0.00 N ATOM 880 CA GLU A 61 -11.758 5.818 -8.471 1.00 0.00 C ATOM 881 C GLU A 61 -11.865 5.006 -7.179 1.00 0.00 C ATOM 882 O GLU A 61 -12.897 5.031 -6.510 1.00 0.00 O ATOM 883 CB GLU A 61 -12.980 6.720 -8.656 1.00 0.00 C ATOM 884 CG GLU A 61 -12.639 8.178 -8.343 1.00 0.00 C ATOM 885 CD GLU A 61 -13.791 9.107 -8.733 1.00 0.00 C ATOM 886 OE1 GLU A 61 -14.841 9.024 -8.059 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.595 9.878 -9.697 1.00 0.00 O ATOM 0 H GLU A 61 -11.497 3.946 -9.373 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.881 6.461 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.344 6.640 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.786 6.384 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.425 8.285 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.736 8.467 -8.880 1.00 0.00 H new ATOM 894 N PHE A 62 -10.785 4.305 -6.867 1.00 0.00 N ATOM 895 CA PHE A 62 -10.745 3.486 -5.667 1.00 0.00 C ATOM 896 C PHE A 62 -10.848 4.352 -4.409 1.00 0.00 C ATOM 897 O PHE A 62 -10.945 5.575 -4.500 1.00 0.00 O ATOM 898 CB PHE A 62 -9.398 2.762 -5.665 1.00 0.00 C ATOM 899 CG PHE A 62 -8.222 3.632 -6.116 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.045 4.868 -5.579 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.354 3.168 -7.055 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.956 5.675 -5.998 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.264 3.975 -7.474 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.087 5.211 -6.936 1.00 0.00 C ATOM 0 H PHE A 62 -9.931 4.287 -7.424 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.582 2.788 -5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.198 2.392 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.464 1.892 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.734 5.236 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.494 2.186 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.817 6.658 -5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.575 3.607 -8.220 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.257 5.824 -7.253 1.00 0.00 H new ATOM 914 N ASP A 63 -10.822 3.683 -3.266 1.00 0.00 N ATOM 915 CA ASP A 63 -10.911 4.375 -1.992 1.00 0.00 C ATOM 916 C ASP A 63 -9.511 4.809 -1.553 1.00 0.00 C ATOM 917 O ASP A 63 -8.803 4.052 -0.890 1.00 0.00 O ATOM 918 CB ASP A 63 -11.485 3.462 -0.908 1.00 0.00 C ATOM 919 CG ASP A 63 -12.590 4.087 -0.054 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.240 4.935 0.795 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.760 3.702 -0.269 1.00 0.00 O ATOM 0 H ASP A 63 -10.741 2.669 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.566 5.236 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.878 2.563 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.673 3.148 -0.252 1.00 0.00 H new ATOM 926 N ARG A 64 -9.154 6.024 -1.941 1.00 0.00 N ATOM 927 CA ARG A 64 -7.851 6.568 -1.596 1.00 0.00 C ATOM 928 C ARG A 64 -7.594 6.417 -0.095 1.00 0.00 C ATOM 929 O ARG A 64 -6.470 6.139 0.321 1.00 0.00 O ATOM 930 CB ARG A 64 -7.751 8.045 -1.978 1.00 0.00 C ATOM 931 CG ARG A 64 -7.016 8.219 -3.309 1.00 0.00 C ATOM 932 CD ARG A 64 -6.760 9.699 -3.604 1.00 0.00 C ATOM 933 NE ARG A 64 -6.340 10.397 -2.368 1.00 0.00 N ATOM 934 CZ ARG A 64 -5.088 10.802 -2.124 1.00 0.00 C ATOM 935 NH1 ARG A 64 -4.123 10.582 -3.027 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.799 11.428 -0.974 1.00 0.00 N ATOM 0 H ARG A 64 -9.744 6.648 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.100 6.010 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.750 8.474 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.227 8.592 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.068 7.681 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.605 7.781 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.988 9.798 -4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.664 10.160 -4.003 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.049 10.581 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.342 10.105 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.169 10.891 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.533 11.595 -0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.845 11.737 -0.787 1.00 0.00 H new ATOM 950 N LYS A 65 -8.655 6.607 0.677 1.00 0.00 N ATOM 951 CA LYS A 65 -8.558 6.496 2.122 1.00 0.00 C ATOM 952 C LYS A 65 -8.029 5.108 2.488 1.00 0.00 C ATOM 953 O LYS A 65 -7.322 4.951 3.482 1.00 0.00 O ATOM 954 CB LYS A 65 -9.898 6.837 2.777 1.00 0.00 C ATOM 955 CG LYS A 65 -10.015 6.186 4.156 1.00 0.00 C ATOM 956 CD LYS A 65 -10.695 7.129 5.150 1.00 0.00 C ATOM 957 CE LYS A 65 -9.659 7.913 5.958 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.001 7.893 7.399 1.00 0.00 N ATOM 0 H LYS A 65 -9.586 6.837 0.328 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.845 7.222 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.996 7.918 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.715 6.498 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.586 5.261 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.023 5.919 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.344 7.822 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.330 6.555 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.669 7.482 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.616 8.943 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.288 8.430 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.936 8.325 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.019 6.910 7.738 1.00 0.00 H new ATOM 972 N GLU A 66 -8.394 4.135 1.666 1.00 0.00 N ATOM 973 CA GLU A 66 -7.966 2.765 1.891 1.00 0.00 C ATOM 974 C GLU A 66 -6.568 2.543 1.310 1.00 0.00 C ATOM 975 O GLU A 66 -5.826 1.683 1.780 1.00 0.00 O ATOM 976 CB GLU A 66 -8.969 1.773 1.300 1.00 0.00 C ATOM 977 CG GLU A 66 -8.473 0.334 1.454 1.00 0.00 C ATOM 978 CD GLU A 66 -9.628 -0.661 1.324 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.259 -0.660 0.244 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.854 -1.402 2.306 1.00 0.00 O ATOM 0 H GLU A 66 -8.982 4.268 0.843 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.923 2.591 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.932 1.885 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.128 1.996 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.719 0.122 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.992 0.213 2.425 1.00 0.00 H new ATOM 987 N TRP A 67 -6.251 3.335 0.296 1.00 0.00 N ATOM 988 CA TRP A 67 -4.956 3.235 -0.355 1.00 0.00 C ATOM 989 C TRP A 67 -4.121 4.446 0.068 1.00 0.00 C ATOM 990 O TRP A 67 -3.210 4.858 -0.650 1.00 0.00 O ATOM 991 CB TRP A 67 -5.112 3.118 -1.873 1.00 0.00 C ATOM 992 CG TRP A 67 -6.135 2.070 -2.313 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.402 2.266 -2.704 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.926 0.644 -2.392 1.00 0.00 C ATOM 995 NE1 TRP A 67 -8.022 1.077 -3.028 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.096 0.059 -2.833 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.786 -0.126 -2.102 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.238 -1.321 -3.023 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.946 -1.503 -2.296 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.116 -2.108 -2.738 1.00 0.00 C ATOM 0 H TRP A 67 -6.869 4.049 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.438 2.328 -0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.405 4.088 -2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.144 2.872 -2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.878 3.234 -2.759 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.983 0.965 -3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.860 0.310 -1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.164 -1.755 -3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.100 -2.141 -2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.160 -3.180 -2.861 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.461 4.983 1.231 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.754 6.137 1.757 1.00 0.00 C ATOM 1013 C ASP A 68 -2.823 5.690 2.886 1.00 0.00 C ATOM 1014 O ASP A 68 -1.787 6.309 3.124 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.730 7.166 2.331 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.262 7.859 3.612 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -3.213 8.536 3.540 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.962 7.695 4.634 1.00 0.00 O ATOM 0 H ASP A 68 -5.217 4.640 1.823 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.192 6.588 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.920 7.926 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.680 6.671 2.530 1.00 0.00 H new ATOM 1023 N THR A 69 -3.225 4.616 3.551 1.00 0.00 N ATOM 1024 CA THR A 69 -2.439 4.078 4.648 1.00 0.00 C ATOM 1025 C THR A 69 -1.968 2.658 4.321 1.00 0.00 C ATOM 1026 O THR A 69 -2.538 1.996 3.455 1.00 0.00 O ATOM 1027 CB THR A 69 -3.285 4.159 5.919 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.624 3.996 5.457 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.274 5.557 6.541 1.00 0.00 C ATOM 0 H THR A 69 -4.084 4.104 3.351 1.00 0.00 H new ATOM 0 HA THR A 69 -1.531 4.660 4.807 1.00 0.00 H new ATOM 0 HB THR A 69 -2.918 3.435 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.216 4.604 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.890 5.560 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.252 5.832 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.673 6.277 5.826 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.907 2.222 5.050 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.354 0.894 4.847 1.00 0.00 C ATOM 1039 C PRO A 70 -1.259 -0.177 5.460 1.00 0.00 C ATOM 1040 O PRO A 70 -1.359 -1.284 4.935 1.00 0.00 O ATOM 1041 CB PRO A 70 1.025 0.941 5.483 1.00 0.00 C ATOM 1042 CG PRO A 70 1.012 2.137 6.421 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.208 2.979 6.084 1.00 0.00 C ATOM 0 HA PRO A 70 -0.283 0.625 3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.235 0.020 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.801 1.048 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.974 1.808 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.924 2.723 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.839 3.129 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.080 3.967 5.725 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.896 0.193 6.562 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.789 -0.722 7.251 1.00 0.00 C ATOM 1053 C ASN A 71 -4.016 -0.988 6.376 1.00 0.00 C ATOM 1054 O ASN A 71 -4.328 -2.138 6.073 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.273 -0.126 8.575 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.709 -0.904 9.766 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.299 -2.048 9.655 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.709 -0.221 10.907 1.00 0.00 N ATOM 0 H ASN A 71 -1.811 1.113 6.994 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.241 -1.643 7.448 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.968 0.918 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.362 -0.142 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.351 -0.652 11.759 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.067 0.734 10.930 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.677 0.095 5.996 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.862 -0.006 5.162 1.00 0.00 C ATOM 1067 C LYS A 72 -5.543 -0.857 3.930 1.00 0.00 C ATOM 1068 O LYS A 72 -6.394 -1.602 3.448 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.401 1.385 4.824 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.669 1.691 5.624 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.753 3.180 5.970 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.259 3.440 7.394 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.242 2.940 8.382 1.00 0.00 N ATOM 0 H LYS A 72 -4.414 1.047 6.250 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.664 -0.511 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.641 2.136 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.616 1.446 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.547 1.398 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.677 1.100 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.155 3.756 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.783 3.523 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.298 2.949 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.098 4.508 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.091 3.417 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.205 3.137 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.121 1.914 8.503 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.313 -0.717 3.456 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.870 -1.463 2.291 1.00 0.00 C ATOM 1089 C ILE A 73 -3.546 -2.901 2.704 1.00 0.00 C ATOM 1090 O ILE A 73 -4.060 -3.850 2.115 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.709 -0.743 1.603 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.180 0.554 0.945 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -2.003 -1.668 0.609 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -2.026 1.256 0.226 1.00 0.00 C ATOM 0 H ILE A 73 -3.610 -0.098 3.858 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.665 -1.517 1.548 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.978 -0.469 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.977 0.336 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.599 1.218 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.182 -1.132 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.612 -2.538 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.712 -1.994 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.389 2.176 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.241 1.494 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.625 0.599 -0.546 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.695 -3.014 3.713 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.295 -4.319 4.211 1.00 0.00 C ATOM 1108 C ILE A 74 -3.541 -5.183 4.420 1.00 0.00 C ATOM 1109 O ILE A 74 -3.474 -6.408 4.325 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.431 -4.172 5.465 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.055 -4.122 5.104 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.738 -5.280 6.476 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.891 -3.641 6.290 1.00 0.00 C ATOM 0 H ILE A 74 -2.272 -2.224 4.199 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.670 -4.831 3.480 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.679 -3.224 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.391 -5.112 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.204 -3.455 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.110 -5.152 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.787 -5.227 6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.535 -6.251 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.943 -3.615 6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.568 -2.641 6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.758 -4.324 7.129 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.647 -4.512 4.702 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.906 -5.203 4.926 1.00 0.00 C ATOM 1127 C ALA A 75 -6.488 -5.640 3.581 1.00 0.00 C ATOM 1128 O ALA A 75 -7.045 -6.732 3.466 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.857 -4.292 5.704 1.00 0.00 C ATOM 0 H ALA A 75 -4.698 -3.496 4.781 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.751 -6.100 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.801 -4.810 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.409 -4.033 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.039 -3.382 5.132 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.340 -4.767 2.595 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.845 -5.050 1.263 1.00 0.00 C ATOM 1137 C LYS A 76 -6.092 -6.249 0.680 1.00 0.00 C ATOM 1138 O LYS A 76 -6.605 -6.942 -0.197 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.778 -3.797 0.387 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.911 -3.785 -0.642 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.273 -3.681 0.046 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.351 -3.223 -0.939 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.034 -4.390 -1.540 1.00 0.00 N ATOM 0 H LYS A 76 -5.877 -3.863 2.693 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.899 -5.325 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.842 -2.907 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.817 -3.758 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.779 -2.945 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.871 -4.693 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.547 -4.649 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.212 -2.978 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.078 -2.594 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.901 -2.614 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.762 -4.061 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.340 -4.975 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.481 -4.955 -0.790 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.888 -6.455 1.192 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.059 -7.557 0.734 1.00 0.00 C ATOM 1159 C VAL A 77 -4.493 -8.843 1.441 1.00 0.00 C ATOM 1160 O VAL A 77 -4.510 -9.913 0.835 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.581 -7.226 0.951 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.722 -8.491 0.901 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.096 -6.193 -0.068 1.00 0.00 C ATOM 0 H VAL A 77 -4.466 -5.878 1.920 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.189 -7.714 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.478 -6.791 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.676 -8.227 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.044 -9.180 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.833 -8.968 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.043 -5.975 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.221 -6.589 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.678 -5.278 0.037 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.834 -8.696 2.713 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.266 -9.833 3.508 1.00 0.00 C ATOM 1175 C GLU A 78 -6.743 -10.136 3.242 1.00 0.00 C ATOM 1176 O GLU A 78 -7.193 -11.264 3.436 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.016 -9.587 4.997 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.518 -9.523 5.299 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.011 -10.860 5.841 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.544 -11.288 6.888 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.101 -11.426 5.197 1.00 0.00 O ATOM 0 H GLU A 78 -4.820 -7.807 3.213 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.678 -10.702 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.492 -8.654 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.475 -10.384 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.971 -9.263 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.323 -8.734 6.026 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.453 -9.108 2.800 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.870 -9.251 2.506 1.00 0.00 C ATOM 1190 C GLN A 79 -9.073 -9.571 1.024 1.00 0.00 C ATOM 1191 O GLN A 79 -10.157 -9.357 0.482 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.642 -7.993 2.906 1.00 0.00 C ATOM 1193 CG GLN A 79 -9.886 -7.956 4.416 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.322 -6.560 4.868 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.059 -5.862 4.190 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.829 -6.194 6.047 1.00 0.00 N ATOM 0 H GLN A 79 -7.075 -8.174 2.638 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.262 -10.080 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.084 -7.107 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.596 -7.964 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.652 -8.684 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.976 -8.245 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.218 -6.827 6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.062 -5.280 6.436 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.015 -10.079 0.410 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.064 -10.431 -0.999 1.00 0.00 C ATOM 1207 C ALA A 80 -7.719 -11.913 -1.162 1.00 0.00 C ATOM 1208 O ALA A 80 -8.406 -12.638 -1.880 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.117 -9.523 -1.786 1.00 0.00 C ATOM 0 H ALA A 80 -7.118 -10.255 0.863 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.067 -10.279 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.154 -9.787 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.422 -8.484 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.100 -9.650 -1.416 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.655 -12.319 -0.485 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.212 -13.701 -0.546 1.00 0.00 C ATOM 1217 C GLN A 81 -7.405 -14.648 -0.400 1.00 0.00 C ATOM 1218 O GLN A 81 -7.834 -14.945 0.714 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.153 -13.984 0.522 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.889 -13.161 0.271 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.385 -13.352 -1.161 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.783 -14.355 -1.507 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.663 -12.334 -1.971 1.00 0.00 N ATOM 0 H GLN A 81 -6.087 -11.715 0.109 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.754 -13.873 -1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.554 -13.750 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.906 -15.046 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.096 -12.106 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.112 -13.457 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.171 -11.524 -1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.368 -12.364 -2.947 1.00 0.00 H new TER 1232 GLN A 81