USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 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 49 ASN : amide:sc= 0 X(o=-2.9,f=-3.1) USER MOD Set 1.2: A 52 MET CE :methyl -160:sc= -2.94! (180deg=-3.77!) USER MOD Set 2.1: A 24 ASN : amide:sc= -3.54! C(o=-1.5!,f=-1.4!) USER MOD Set 2.2: A 26 SER OG : rot 146:sc= 1.24 USER MOD Set 2.3: A 62 GLN : amide:sc= 0.822 K(o=-1.5,f=-8.1!) USER MOD Single : A 5 THR OG1 : rot -64:sc= -0.0303! USER MOD Single : A 8 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.25) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.104 (180deg=-0.849) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.179 (180deg=-0.441) USER MOD Single : A 23 ASN : amide:sc= -0.952 K(o=-0.95,f=-0.26) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00736 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -95:sc= -1.95! USER MOD Single : A 44 SER OG : rot 39:sc= 0.92 USER MOD Single : A 53 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= -2.58! C(o=-2.6!,f=-5.2!) USER MOD Single : A 61 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-2.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -175:sc= 0 (180deg=-0.0528) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.777 -0.984 -19.002 1.00 0.00 N ATOM 40 CA LEU A 4 -15.065 -0.256 -17.913 1.00 0.00 C ATOM 41 C LEU A 4 -15.755 -0.512 -16.570 1.00 0.00 C ATOM 42 O LEU A 4 -16.161 -1.618 -16.275 1.00 0.00 O ATOM 43 CB LEU A 4 -15.157 1.225 -18.297 1.00 0.00 C ATOM 44 CG LEU A 4 -14.515 1.453 -19.671 1.00 0.00 C ATOM 45 CD1 LEU A 4 -13.202 0.671 -19.768 1.00 0.00 C ATOM 46 CD2 LEU A 4 -15.471 0.980 -20.768 1.00 0.00 C ATOM 0 HA LEU A 4 -14.030 -0.581 -17.804 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.200 1.539 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.655 1.835 -17.546 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.311 2.516 -19.798 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.751 0.837 -20.746 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.518 1.011 -18.991 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.401 -0.392 -19.636 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.014 1.143 -21.744 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.678 -0.082 -20.637 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.403 1.542 -20.706 1.00 0.00 H new ATOM 58 N THR A 5 -15.896 0.497 -15.755 1.00 0.00 N ATOM 59 CA THR A 5 -16.567 0.302 -14.436 1.00 0.00 C ATOM 60 C THR A 5 -15.996 -0.932 -13.730 1.00 0.00 C ATOM 61 O THR A 5 -14.809 -1.189 -13.777 1.00 0.00 O ATOM 62 CB THR A 5 -18.051 0.095 -14.763 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.276 -1.265 -15.111 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.460 0.996 -15.933 1.00 0.00 C ATOM 0 H THR A 5 -15.577 1.447 -15.944 1.00 0.00 H new ATOM 0 HA THR A 5 -16.415 1.151 -13.769 1.00 0.00 H new ATOM 0 HB THR A 5 -18.648 0.352 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.785 -1.478 -15.932 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.515 0.843 -16.159 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.294 2.039 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.862 0.748 -16.810 1.00 0.00 H new ATOM 72 N GLU A 6 -16.831 -1.698 -13.080 1.00 0.00 N ATOM 73 CA GLU A 6 -16.336 -2.916 -12.374 1.00 0.00 C ATOM 74 C GLU A 6 -15.303 -3.640 -13.240 1.00 0.00 C ATOM 75 O GLU A 6 -14.413 -4.300 -12.745 1.00 0.00 O ATOM 76 CB GLU A 6 -17.578 -3.784 -12.174 1.00 0.00 C ATOM 77 CG GLU A 6 -17.970 -4.441 -13.499 1.00 0.00 C ATOM 78 CD GLU A 6 -17.212 -5.760 -13.660 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.584 -6.717 -13.003 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.271 -5.790 -14.437 1.00 0.00 O ATOM 0 H GLU A 6 -17.835 -1.533 -13.007 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.847 -2.682 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.381 -4.549 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.402 -3.176 -11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.045 -4.622 -13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.740 -3.774 -14.330 1.00 0.00 H new ATOM 87 N GLU A 7 -15.414 -3.511 -14.533 1.00 0.00 N ATOM 88 CA GLU A 7 -14.439 -4.178 -15.436 1.00 0.00 C ATOM 89 C GLU A 7 -13.096 -3.456 -15.352 1.00 0.00 C ATOM 90 O GLU A 7 -12.055 -4.069 -15.210 1.00 0.00 O ATOM 91 CB GLU A 7 -15.035 -4.046 -16.837 1.00 0.00 C ATOM 92 CG GLU A 7 -14.856 -5.363 -17.595 1.00 0.00 C ATOM 93 CD GLU A 7 -13.507 -5.358 -18.316 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.683 -4.521 -17.983 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.320 -6.189 -19.188 1.00 0.00 O ATOM 0 H GLU A 7 -16.140 -2.971 -15.003 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.267 -5.222 -15.173 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.093 -3.793 -16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.546 -3.235 -17.376 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.907 -6.203 -16.902 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.664 -5.493 -18.315 1.00 0.00 H new ATOM 102 N GLN A 8 -13.112 -2.152 -15.418 1.00 0.00 N ATOM 103 CA GLN A 8 -11.834 -1.395 -15.322 1.00 0.00 C ATOM 104 C GLN A 8 -11.319 -1.466 -13.883 1.00 0.00 C ATOM 105 O GLN A 8 -10.152 -1.697 -13.639 1.00 0.00 O ATOM 106 CB GLN A 8 -12.178 0.047 -15.733 1.00 0.00 C ATOM 107 CG GLN A 8 -12.621 0.866 -14.514 1.00 0.00 C ATOM 108 CD GLN A 8 -12.903 2.308 -14.941 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.833 2.925 -14.461 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.133 2.875 -15.829 1.00 0.00 N ATOM 0 H GLN A 8 -13.950 -1.582 -15.534 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.049 -1.797 -15.963 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.310 0.516 -16.196 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.972 0.038 -16.480 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.515 0.425 -14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.845 0.848 -13.749 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.352 2.357 -16.232 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.312 3.836 -16.120 1.00 0.00 H new ATOM 119 N ILE A 9 -12.191 -1.286 -12.929 1.00 0.00 N ATOM 120 CA ILE A 9 -11.768 -1.357 -11.506 1.00 0.00 C ATOM 121 C ILE A 9 -11.087 -2.697 -11.239 1.00 0.00 C ATOM 122 O ILE A 9 -9.921 -2.756 -10.911 1.00 0.00 O ATOM 123 CB ILE A 9 -13.062 -1.254 -10.703 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.711 0.109 -10.953 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.748 -1.408 -9.215 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.228 -0.018 -10.807 1.00 0.00 C ATOM 0 H ILE A 9 -13.181 -1.092 -13.077 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.061 -0.571 -11.242 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.748 -2.042 -11.013 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.326 0.843 -10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.459 0.467 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.670 -1.335 -8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.287 -2.380 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.063 -0.619 -8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.693 0.952 -10.985 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.604 -0.739 -11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.469 -0.357 -9.800 1.00 0.00 H new ATOM 138 N ALA A 10 -11.805 -3.777 -11.385 1.00 0.00 N ATOM 139 CA ALA A 10 -11.190 -5.112 -11.143 1.00 0.00 C ATOM 140 C ALA A 10 -9.808 -5.171 -11.799 1.00 0.00 C ATOM 141 O ALA A 10 -8.833 -5.564 -11.187 1.00 0.00 O ATOM 142 CB ALA A 10 -12.142 -6.113 -11.799 1.00 0.00 C ATOM 0 H ALA A 10 -12.787 -3.793 -11.660 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.052 -5.323 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.757 -7.124 -11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.126 -6.035 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.222 -5.895 -12.864 1.00 0.00 H new ATOM 148 N GLU A 11 -9.719 -4.773 -13.039 1.00 0.00 N ATOM 149 CA GLU A 11 -8.399 -4.796 -13.732 1.00 0.00 C ATOM 150 C GLU A 11 -7.412 -3.894 -12.991 1.00 0.00 C ATOM 151 O GLU A 11 -6.280 -4.261 -12.744 1.00 0.00 O ATOM 152 CB GLU A 11 -8.676 -4.254 -15.136 1.00 0.00 C ATOM 153 CG GLU A 11 -7.376 -4.232 -15.941 1.00 0.00 C ATOM 154 CD GLU A 11 -7.348 -2.989 -16.831 1.00 0.00 C ATOM 155 OE1 GLU A 11 -8.388 -2.367 -16.980 1.00 0.00 O ATOM 156 OE2 GLU A 11 -6.287 -2.678 -17.347 1.00 0.00 O ATOM 0 H GLU A 11 -10.500 -4.434 -13.601 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.962 -5.794 -13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.416 -4.877 -15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.094 -3.249 -15.073 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.519 -4.229 -15.268 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.299 -5.131 -16.552 1.00 0.00 H new ATOM 163 N PHE A 12 -7.839 -2.716 -12.624 1.00 0.00 N ATOM 164 CA PHE A 12 -6.934 -1.792 -11.889 1.00 0.00 C ATOM 165 C PHE A 12 -6.507 -2.434 -10.568 1.00 0.00 C ATOM 166 O PHE A 12 -5.337 -2.495 -10.246 1.00 0.00 O ATOM 167 CB PHE A 12 -7.770 -0.536 -11.641 1.00 0.00 C ATOM 168 CG PHE A 12 -8.005 0.175 -12.953 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.953 0.325 -13.864 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.273 0.684 -13.261 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.166 0.985 -15.080 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.487 1.343 -14.478 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.433 1.493 -15.387 1.00 0.00 C ATOM 0 H PHE A 12 -8.776 -2.355 -12.802 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.023 -1.564 -12.442 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.723 -0.804 -11.184 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.256 0.125 -10.943 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.975 -0.069 -13.628 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.086 0.568 -12.560 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.353 1.102 -15.781 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.465 1.735 -14.715 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.598 2.001 -16.326 1.00 0.00 H new ATOM 183 N LYS A 13 -7.450 -2.923 -9.807 1.00 0.00 N ATOM 184 CA LYS A 13 -7.104 -3.575 -8.512 1.00 0.00 C ATOM 185 C LYS A 13 -5.870 -4.455 -8.699 1.00 0.00 C ATOM 186 O LYS A 13 -4.886 -4.320 -7.999 1.00 0.00 O ATOM 187 CB LYS A 13 -8.323 -4.426 -8.155 1.00 0.00 C ATOM 188 CG LYS A 13 -9.342 -3.570 -7.399 1.00 0.00 C ATOM 189 CD LYS A 13 -10.226 -4.470 -6.534 1.00 0.00 C ATOM 190 CE LYS A 13 -9.674 -4.510 -5.108 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.845 -5.745 -5.051 1.00 0.00 N ATOM 0 H LYS A 13 -8.446 -2.899 -10.027 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.875 -2.854 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.774 -4.832 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.020 -5.275 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.827 -2.840 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.956 -3.009 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.250 -4.095 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.257 -5.476 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.078 -3.624 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.479 -4.541 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.783 -6.077 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.282 -6.484 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.890 -5.539 -5.407 1.00 0.00 H new ATOM 205 N GLU A 14 -5.904 -5.344 -9.655 1.00 0.00 N ATOM 206 CA GLU A 14 -4.719 -6.211 -9.895 1.00 0.00 C ATOM 207 C GLU A 14 -3.485 -5.328 -10.086 1.00 0.00 C ATOM 208 O GLU A 14 -2.435 -5.572 -9.523 1.00 0.00 O ATOM 209 CB GLU A 14 -5.039 -6.981 -11.176 1.00 0.00 C ATOM 210 CG GLU A 14 -6.288 -7.837 -10.960 1.00 0.00 C ATOM 211 CD GLU A 14 -5.899 -9.317 -10.958 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.889 -9.644 -11.559 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.617 -10.097 -10.356 1.00 0.00 O ATOM 0 H GLU A 14 -6.697 -5.506 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.513 -6.889 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.200 -6.286 -12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.195 -7.613 -11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.763 -7.574 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.016 -7.642 -11.748 1.00 0.00 H new ATOM 220 N ALA A 15 -3.611 -4.291 -10.872 1.00 0.00 N ATOM 221 CA ALA A 15 -2.454 -3.380 -11.093 1.00 0.00 C ATOM 222 C ALA A 15 -2.063 -2.715 -9.772 1.00 0.00 C ATOM 223 O ALA A 15 -0.906 -2.674 -9.406 1.00 0.00 O ATOM 224 CB ALA A 15 -2.951 -2.335 -12.092 1.00 0.00 C ATOM 0 H ALA A 15 -4.465 -4.037 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.575 -3.906 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.151 -1.626 -12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.253 -2.829 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.804 -1.804 -11.669 1.00 0.00 H new ATOM 230 N PHE A 16 -3.021 -2.200 -9.047 1.00 0.00 N ATOM 231 CA PHE A 16 -2.692 -1.547 -7.749 1.00 0.00 C ATOM 232 C PHE A 16 -1.766 -2.455 -6.942 1.00 0.00 C ATOM 233 O PHE A 16 -0.639 -2.108 -6.651 1.00 0.00 O ATOM 234 CB PHE A 16 -4.026 -1.377 -7.022 1.00 0.00 C ATOM 235 CG PHE A 16 -3.753 -0.975 -5.592 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.389 0.343 -5.292 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.852 -1.924 -4.567 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.126 0.713 -3.968 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.590 -1.553 -3.242 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.226 -0.235 -2.943 1.00 0.00 C ATOM 0 H PHE A 16 -4.010 -2.204 -9.296 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.187 -0.591 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.632 -0.619 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.593 -2.308 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.311 1.075 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.130 -2.942 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.846 1.730 -3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.669 -2.284 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.022 0.051 -1.922 1.00 0.00 H new ATOM 250 N ALA A 17 -2.231 -3.623 -6.584 1.00 0.00 N ATOM 251 CA ALA A 17 -1.370 -4.552 -5.805 1.00 0.00 C ATOM 252 C ALA A 17 0.032 -4.575 -6.413 1.00 0.00 C ATOM 253 O ALA A 17 1.025 -4.523 -5.715 1.00 0.00 O ATOM 254 CB ALA A 17 -2.039 -5.922 -5.936 1.00 0.00 C ATOM 0 H ALA A 17 -3.166 -3.970 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.268 -4.256 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.460 -6.664 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.049 -5.874 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.085 -6.205 -6.988 1.00 0.00 H new ATOM 260 N LEU A 18 0.119 -4.639 -7.716 1.00 0.00 N ATOM 261 CA LEU A 18 1.457 -4.647 -8.369 1.00 0.00 C ATOM 262 C LEU A 18 2.243 -3.407 -7.939 1.00 0.00 C ATOM 263 O LEU A 18 3.417 -3.476 -7.635 1.00 0.00 O ATOM 264 CB LEU A 18 1.168 -4.608 -9.870 1.00 0.00 C ATOM 265 CG LEU A 18 1.680 -5.894 -10.522 1.00 0.00 C ATOM 266 CD1 LEU A 18 0.550 -6.546 -11.322 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.842 -5.561 -11.460 1.00 0.00 C ATOM 0 H LEU A 18 -0.677 -4.686 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 18 2.052 -5.519 -8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.097 -4.502 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.651 -3.741 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 18 2.022 -6.582 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.915 -7.462 -11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.279 -6.783 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.208 -5.858 -12.095 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.208 -6.476 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.500 -4.873 -12.233 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.647 -5.096 -10.891 1.00 0.00 H new ATOM 279 N PHE A 19 1.597 -2.271 -7.900 1.00 0.00 N ATOM 280 CA PHE A 19 2.302 -1.028 -7.477 1.00 0.00 C ATOM 281 C PHE A 19 2.812 -1.190 -6.044 1.00 0.00 C ATOM 282 O PHE A 19 3.951 -0.894 -5.740 1.00 0.00 O ATOM 283 CB PHE A 19 1.244 0.075 -7.548 1.00 0.00 C ATOM 284 CG PHE A 19 1.119 0.571 -8.969 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.246 1.046 -9.646 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.127 0.558 -9.609 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.132 1.508 -10.962 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.243 1.021 -10.925 1.00 0.00 C ATOM 289 CZ PHE A 19 0.886 1.496 -11.602 1.00 0.00 C ATOM 0 H PHE A 19 0.613 -2.152 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 19 3.163 -0.801 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.284 -0.306 -7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.518 0.898 -6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.207 1.056 -9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.998 0.191 -9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.004 1.874 -11.484 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.204 1.012 -11.418 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.797 1.853 -12.617 1.00 0.00 H new ATOM 299 N ASP A 20 1.976 -1.670 -5.161 1.00 0.00 N ATOM 300 CA ASP A 20 2.410 -1.862 -3.748 1.00 0.00 C ATOM 301 C ASP A 20 3.363 -3.058 -3.657 1.00 0.00 C ATOM 302 O ASP A 20 3.558 -3.779 -4.615 1.00 0.00 O ATOM 303 CB ASP A 20 1.121 -2.137 -2.970 1.00 0.00 C ATOM 304 CG ASP A 20 1.467 -2.679 -1.583 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.885 -1.893 -0.750 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.307 -3.871 -1.377 1.00 0.00 O ATOM 0 H ASP A 20 1.012 -1.937 -5.358 1.00 0.00 H new ATOM 0 HA ASP A 20 2.942 -0.997 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.537 -1.221 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.505 -2.856 -3.510 1.00 0.00 H new ATOM 311 N LYS A 21 3.963 -3.273 -2.518 1.00 0.00 N ATOM 312 CA LYS A 21 4.904 -4.423 -2.383 1.00 0.00 C ATOM 313 C LYS A 21 4.587 -5.233 -1.124 1.00 0.00 C ATOM 314 O LYS A 21 5.450 -5.869 -0.551 1.00 0.00 O ATOM 315 CB LYS A 21 6.289 -3.787 -2.277 1.00 0.00 C ATOM 316 CG LYS A 21 6.884 -3.627 -3.677 1.00 0.00 C ATOM 317 CD LYS A 21 8.060 -4.591 -3.844 1.00 0.00 C ATOM 318 CE LYS A 21 7.644 -5.990 -3.385 1.00 0.00 C ATOM 319 NZ LYS A 21 8.560 -6.314 -2.258 1.00 0.00 N ATOM 0 H LYS A 21 3.844 -2.706 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 21 4.832 -5.113 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.219 -2.816 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.940 -4.408 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.124 -3.829 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.217 -2.600 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.376 -4.618 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.913 -4.244 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.602 -6.007 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.740 -6.715 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.122 -7.036 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.459 -6.677 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.740 -5.456 -1.699 1.00 0.00 H new ATOM 333 N ASP A 22 3.357 -5.223 -0.689 1.00 0.00 N ATOM 334 CA ASP A 22 2.995 -5.999 0.533 1.00 0.00 C ATOM 335 C ASP A 22 1.476 -6.167 0.629 1.00 0.00 C ATOM 336 O ASP A 22 0.934 -6.384 1.695 1.00 0.00 O ATOM 337 CB ASP A 22 3.517 -5.164 1.703 1.00 0.00 C ATOM 338 CG ASP A 22 3.152 -3.694 1.488 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.070 -3.440 0.987 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.963 -2.848 1.827 1.00 0.00 O ATOM 0 H ASP A 22 2.588 -4.713 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 22 3.423 -7.002 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.088 -5.523 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.598 -5.272 1.786 1.00 0.00 H new ATOM 345 N ASN A 23 0.785 -6.070 -0.477 1.00 0.00 N ATOM 346 CA ASN A 23 -0.700 -6.225 -0.448 1.00 0.00 C ATOM 347 C ASN A 23 -1.280 -5.503 0.770 1.00 0.00 C ATOM 348 O ASN A 23 -2.304 -5.883 1.302 1.00 0.00 O ATOM 349 CB ASN A 23 -0.953 -7.729 -0.339 1.00 0.00 C ATOM 350 CG ASN A 23 0.025 -8.488 -1.239 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.454 -9.576 -0.907 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.395 -7.958 -2.372 1.00 0.00 N ATOM 0 H ASN A 23 1.184 -5.890 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.170 -5.799 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.835 -8.052 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.979 -7.956 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.045 -8.456 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.035 -7.045 -2.650 1.00 0.00 H new ATOM 359 N ASN A 24 -0.629 -4.463 1.214 1.00 0.00 N ATOM 360 CA ASN A 24 -1.137 -3.714 2.398 1.00 0.00 C ATOM 361 C ASN A 24 -2.291 -2.795 1.989 1.00 0.00 C ATOM 362 O ASN A 24 -2.754 -1.983 2.765 1.00 0.00 O ATOM 363 CB ASN A 24 0.059 -2.893 2.881 1.00 0.00 C ATOM 364 CG ASN A 24 -0.421 -1.801 3.836 1.00 0.00 C ATOM 365 OD1 ASN A 24 0.032 -0.675 3.766 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.326 -2.086 4.732 1.00 0.00 N ATOM 0 H ASN A 24 0.233 -4.099 0.808 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.522 -4.375 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.778 -3.540 3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.573 -2.446 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.653 -1.364 5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.706 -3.031 4.791 1.00 0.00 H new ATOM 373 N GLY A 25 -2.757 -2.910 0.775 1.00 0.00 N ATOM 374 CA GLY A 25 -3.875 -2.035 0.324 1.00 0.00 C ATOM 375 C GLY A 25 -3.392 -0.587 0.288 1.00 0.00 C ATOM 376 O GLY A 25 -4.171 0.339 0.184 1.00 0.00 O ATOM 0 H GLY A 25 -2.413 -3.570 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.218 -2.342 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.724 -2.131 1.000 1.00 0.00 H new ATOM 380 N SER A 26 -2.106 -0.387 0.374 1.00 0.00 N ATOM 381 CA SER A 26 -1.559 0.998 0.344 1.00 0.00 C ATOM 382 C SER A 26 -0.246 1.021 -0.441 1.00 0.00 C ATOM 383 O SER A 26 0.467 0.040 -0.504 1.00 0.00 O ATOM 384 CB SER A 26 -1.317 1.356 1.810 1.00 0.00 C ATOM 385 OG SER A 26 -0.048 1.986 1.936 1.00 0.00 O ATOM 0 H SER A 26 -1.408 -1.126 0.464 1.00 0.00 H new ATOM 0 HA SER A 26 -2.233 1.705 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.103 2.020 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.353 0.458 2.426 1.00 0.00 H new ATOM 0 HG SER A 26 -0.090 2.668 2.638 1.00 0.00 H new ATOM 391 N ILE A 27 0.076 2.130 -1.045 1.00 0.00 N ATOM 392 CA ILE A 27 1.340 2.207 -1.830 1.00 0.00 C ATOM 393 C ILE A 27 2.167 3.419 -1.393 1.00 0.00 C ATOM 394 O ILE A 27 1.683 4.533 -1.356 1.00 0.00 O ATOM 395 CB ILE A 27 0.887 2.362 -3.281 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.391 1.017 -3.808 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.058 2.843 -4.138 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.551 1.255 -4.989 1.00 0.00 C ATOM 0 H ILE A 27 -0.480 2.985 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 27 1.971 1.330 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 27 0.079 3.093 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.235 0.401 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.127 0.472 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.731 2.952 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.411 3.805 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.868 2.115 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.908 0.298 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.400 1.855 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.017 1.783 -5.780 1.00 0.00 H new ATOM 410 N SER A 28 3.412 3.211 -1.064 1.00 0.00 N ATOM 411 CA SER A 28 4.271 4.350 -0.632 1.00 0.00 C ATOM 412 C SER A 28 5.123 4.842 -1.806 1.00 0.00 C ATOM 413 O SER A 28 4.865 4.522 -2.949 1.00 0.00 O ATOM 414 CB SER A 28 5.158 3.780 0.473 1.00 0.00 C ATOM 415 OG SER A 28 4.416 2.832 1.230 1.00 0.00 O ATOM 0 H SER A 28 3.872 2.301 -1.076 1.00 0.00 H new ATOM 0 HA SER A 28 3.686 5.202 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.039 3.307 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.513 4.582 1.120 1.00 0.00 H new ATOM 0 HG SER A 28 4.983 2.463 1.939 1.00 0.00 H new ATOM 421 N SER A 29 6.136 5.617 -1.532 1.00 0.00 N ATOM 422 CA SER A 29 7.002 6.129 -2.634 1.00 0.00 C ATOM 423 C SER A 29 7.791 4.979 -3.266 1.00 0.00 C ATOM 424 O SER A 29 7.828 4.827 -4.471 1.00 0.00 O ATOM 425 CB SER A 29 7.950 7.122 -1.962 1.00 0.00 C ATOM 426 OG SER A 29 8.434 6.562 -0.748 1.00 0.00 O ATOM 0 H SER A 29 6.402 5.918 -0.595 1.00 0.00 H new ATOM 0 HA SER A 29 6.423 6.593 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.783 7.354 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.431 8.059 -1.762 1.00 0.00 H new ATOM 0 HG SER A 29 9.044 7.196 -0.316 1.00 0.00 H new ATOM 432 N SER A 30 8.423 4.168 -2.462 1.00 0.00 N ATOM 433 CA SER A 30 9.211 3.029 -3.018 1.00 0.00 C ATOM 434 C SER A 30 8.273 1.971 -3.605 1.00 0.00 C ATOM 435 O SER A 30 8.488 1.473 -4.692 1.00 0.00 O ATOM 436 CB SER A 30 9.980 2.462 -1.826 1.00 0.00 C ATOM 437 OG SER A 30 11.230 1.956 -2.273 1.00 0.00 O ATOM 0 H SER A 30 8.428 4.244 -1.445 1.00 0.00 H new ATOM 0 HA SER A 30 9.877 3.342 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.136 3.238 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.403 1.669 -1.350 1.00 0.00 H new ATOM 0 HG SER A 30 11.727 1.593 -1.511 1.00 0.00 H new ATOM 443 N GLU A 31 7.235 1.622 -2.894 1.00 0.00 N ATOM 444 CA GLU A 31 6.287 0.595 -3.414 1.00 0.00 C ATOM 445 C GLU A 31 5.885 0.931 -4.853 1.00 0.00 C ATOM 446 O GLU A 31 6.100 0.156 -5.764 1.00 0.00 O ATOM 447 CB GLU A 31 5.073 0.665 -2.488 1.00 0.00 C ATOM 448 CG GLU A 31 5.534 0.590 -1.030 1.00 0.00 C ATOM 449 CD GLU A 31 4.382 0.089 -0.155 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.256 0.104 -0.626 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.644 -0.300 0.971 1.00 0.00 O ATOM 0 H GLU A 31 7.003 2.003 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 31 6.727 -0.402 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.525 1.592 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.389 -0.155 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.389 -0.080 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.862 1.572 -0.690 1.00 0.00 H new ATOM 458 N LEU A 32 5.308 2.081 -5.066 1.00 0.00 N ATOM 459 CA LEU A 32 4.898 2.463 -6.448 1.00 0.00 C ATOM 460 C LEU A 32 6.098 2.370 -7.395 1.00 0.00 C ATOM 461 O LEU A 32 6.000 1.855 -8.490 1.00 0.00 O ATOM 462 CB LEU A 32 4.417 3.911 -6.335 1.00 0.00 C ATOM 463 CG LEU A 32 3.484 4.239 -7.505 1.00 0.00 C ATOM 464 CD1 LEU A 32 4.110 3.752 -8.814 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.139 3.542 -7.295 1.00 0.00 C ATOM 0 H LEU A 32 5.103 2.772 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 32 4.123 1.808 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.895 4.058 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.271 4.589 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 32 3.333 5.317 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.445 3.986 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.069 4.248 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.263 2.674 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.475 3.775 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.292 2.464 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.690 3.890 -6.364 1.00 0.00 H new ATOM 477 N ALA A 33 7.232 2.864 -6.977 1.00 0.00 N ATOM 478 CA ALA A 33 8.439 2.806 -7.850 1.00 0.00 C ATOM 479 C ALA A 33 8.800 1.350 -8.160 1.00 0.00 C ATOM 480 O ALA A 33 9.364 1.048 -9.193 1.00 0.00 O ATOM 481 CB ALA A 33 9.547 3.471 -7.035 1.00 0.00 C ATOM 0 H ALA A 33 7.375 3.305 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 33 8.281 3.303 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.473 3.469 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.264 4.499 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.695 2.921 -6.106 1.00 0.00 H new ATOM 487 N THR A 34 8.481 0.445 -7.275 1.00 0.00 N ATOM 488 CA THR A 34 8.809 -0.989 -7.521 1.00 0.00 C ATOM 489 C THR A 34 8.495 -1.365 -8.972 1.00 0.00 C ATOM 490 O THR A 34 9.263 -2.041 -9.628 1.00 0.00 O ATOM 491 CB THR A 34 7.915 -1.773 -6.561 1.00 0.00 C ATOM 492 OG1 THR A 34 8.251 -1.438 -5.222 1.00 0.00 O ATOM 493 CG2 THR A 34 8.118 -3.273 -6.780 1.00 0.00 C ATOM 0 H THR A 34 8.007 0.636 -6.392 1.00 0.00 H new ATOM 0 HA THR A 34 9.866 -1.201 -7.359 1.00 0.00 H new ATOM 0 HB THR A 34 6.872 -1.519 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.887 -2.095 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.480 -3.830 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.858 -3.529 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.161 -3.530 -6.595 1.00 0.00 H new ATOM 501 N VAL A 35 7.371 -0.934 -9.477 1.00 0.00 N ATOM 502 CA VAL A 35 7.007 -1.268 -10.885 1.00 0.00 C ATOM 503 C VAL A 35 8.228 -1.127 -11.797 1.00 0.00 C ATOM 504 O VAL A 35 8.326 -1.770 -12.824 1.00 0.00 O ATOM 505 CB VAL A 35 5.932 -0.252 -11.267 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.534 -0.453 -12.730 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.704 -0.453 -10.374 1.00 0.00 C ATOM 0 H VAL A 35 6.689 -0.365 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 35 6.653 -2.294 -10.987 1.00 0.00 H new ATOM 0 HB VAL A 35 6.322 0.757 -11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.767 0.272 -13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.407 -0.313 -13.367 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.144 -1.462 -12.866 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.935 0.271 -10.644 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.316 -1.462 -10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.986 -0.311 -9.331 1.00 0.00 H new ATOM 639 N SER A 44 14.075 7.336 -9.360 1.00 0.00 N ATOM 640 CA SER A 44 14.735 8.364 -8.506 1.00 0.00 C ATOM 641 C SER A 44 13.728 8.938 -7.506 1.00 0.00 C ATOM 642 O SER A 44 12.582 9.158 -7.836 1.00 0.00 O ATOM 643 CB SER A 44 15.205 9.446 -9.477 1.00 0.00 C ATOM 644 OG SER A 44 15.272 8.901 -10.789 1.00 0.00 O ATOM 0 HA SER A 44 15.562 7.954 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.519 10.292 -9.457 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.183 9.821 -9.176 1.00 0.00 H new ATOM 0 HG SER A 44 14.512 8.299 -10.932 1.00 0.00 H new ATOM 650 N GLU A 45 14.152 9.172 -6.289 1.00 0.00 N ATOM 651 CA GLU A 45 13.228 9.727 -5.253 1.00 0.00 C ATOM 652 C GLU A 45 12.230 10.702 -5.884 1.00 0.00 C ATOM 653 O GLU A 45 11.090 10.789 -5.473 1.00 0.00 O ATOM 654 CB GLU A 45 14.138 10.460 -4.266 1.00 0.00 C ATOM 655 CG GLU A 45 13.285 11.188 -3.226 1.00 0.00 C ATOM 656 CD GLU A 45 13.539 10.587 -1.843 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.693 10.514 -1.454 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.576 10.208 -1.196 1.00 0.00 O ATOM 0 H GLU A 45 15.105 9.001 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 45 12.640 8.946 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.803 9.751 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.769 11.173 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.527 12.251 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.229 11.102 -3.483 1.00 0.00 H new ATOM 665 N ALA A 46 12.644 11.426 -6.887 1.00 0.00 N ATOM 666 CA ALA A 46 11.708 12.379 -7.547 1.00 0.00 C ATOM 667 C ALA A 46 10.543 11.603 -8.164 1.00 0.00 C ATOM 668 O ALA A 46 9.396 11.806 -7.819 1.00 0.00 O ATOM 669 CB ALA A 46 12.536 13.064 -8.634 1.00 0.00 C ATOM 0 H ALA A 46 13.586 11.399 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 46 11.285 13.103 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.914 13.783 -9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.379 13.582 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.906 12.316 -9.335 1.00 0.00 H new ATOM 675 N GLU A 47 10.832 10.705 -9.067 1.00 0.00 N ATOM 676 CA GLU A 47 9.744 9.904 -9.696 1.00 0.00 C ATOM 677 C GLU A 47 9.131 8.965 -8.655 1.00 0.00 C ATOM 678 O GLU A 47 7.969 8.619 -8.718 1.00 0.00 O ATOM 679 CB GLU A 47 10.432 9.105 -10.803 1.00 0.00 C ATOM 680 CG GLU A 47 11.120 10.066 -11.775 1.00 0.00 C ATOM 681 CD GLU A 47 10.101 11.075 -12.304 1.00 0.00 C ATOM 682 OE1 GLU A 47 8.933 10.728 -12.375 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.504 12.180 -12.629 1.00 0.00 O ATOM 0 H GLU A 47 11.774 10.492 -9.396 1.00 0.00 H new ATOM 0 HA GLU A 47 8.937 10.524 -10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.164 8.422 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.701 8.495 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.935 10.586 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.560 9.510 -12.603 1.00 0.00 H new ATOM 690 N VAL A 48 9.912 8.559 -7.692 1.00 0.00 N ATOM 691 CA VAL A 48 9.393 7.651 -6.632 1.00 0.00 C ATOM 692 C VAL A 48 8.350 8.390 -5.794 1.00 0.00 C ATOM 693 O VAL A 48 7.175 8.074 -5.813 1.00 0.00 O ATOM 694 CB VAL A 48 10.614 7.312 -5.773 1.00 0.00 C ATOM 695 CG1 VAL A 48 10.255 6.214 -4.773 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.755 6.824 -6.666 1.00 0.00 C ATOM 0 H VAL A 48 10.893 8.819 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 48 8.918 6.758 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 48 10.928 8.207 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.128 5.977 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.446 6.559 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.935 5.322 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.622 6.584 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.437 5.933 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.021 7.606 -7.377 1.00 0.00 H new ATOM 706 N ASN A 49 8.780 9.379 -5.067 1.00 0.00 N ATOM 707 CA ASN A 49 7.840 10.163 -4.226 1.00 0.00 C ATOM 708 C ASN A 49 6.773 10.817 -5.112 1.00 0.00 C ATOM 709 O ASN A 49 5.623 10.928 -4.736 1.00 0.00 O ATOM 710 CB ASN A 49 8.733 11.213 -3.557 1.00 0.00 C ATOM 711 CG ASN A 49 7.920 12.465 -3.212 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.145 12.461 -2.277 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.067 13.542 -3.934 1.00 0.00 N ATOM 0 H ASN A 49 9.753 9.681 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 49 7.303 9.559 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.176 10.799 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.555 11.477 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.531 14.381 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.718 13.545 -4.719 1.00 0.00 H new ATOM 720 N ASP A 50 7.145 11.247 -6.287 1.00 0.00 N ATOM 721 CA ASP A 50 6.150 11.886 -7.195 1.00 0.00 C ATOM 722 C ASP A 50 5.088 10.866 -7.607 1.00 0.00 C ATOM 723 O ASP A 50 3.903 11.116 -7.513 1.00 0.00 O ATOM 724 CB ASP A 50 6.955 12.344 -8.410 1.00 0.00 C ATOM 725 CG ASP A 50 6.004 12.892 -9.476 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.378 13.906 -9.218 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.919 12.287 -10.532 1.00 0.00 O ATOM 0 H ASP A 50 8.093 11.184 -6.657 1.00 0.00 H new ATOM 0 HA ASP A 50 5.628 12.717 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.671 13.112 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.530 11.510 -8.814 1.00 0.00 H new ATOM 732 N LEU A 51 5.503 9.714 -8.059 1.00 0.00 N ATOM 733 CA LEU A 51 4.515 8.677 -8.472 1.00 0.00 C ATOM 734 C LEU A 51 3.468 8.487 -7.372 1.00 0.00 C ATOM 735 O LEU A 51 2.279 8.511 -7.622 1.00 0.00 O ATOM 736 CB LEU A 51 5.335 7.400 -8.661 1.00 0.00 C ATOM 737 CG LEU A 51 6.034 7.440 -10.021 1.00 0.00 C ATOM 738 CD1 LEU A 51 7.169 6.414 -10.042 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.025 7.104 -11.121 1.00 0.00 C ATOM 0 H LEU A 51 6.482 9.446 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 51 3.979 8.951 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.072 7.307 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.687 6.526 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 51 6.441 8.437 -10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.667 6.442 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.888 6.650 -9.257 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.762 5.417 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.521 7.132 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.619 6.107 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.215 7.833 -11.107 1.00 0.00 H new ATOM 751 N MET A 52 3.902 8.303 -6.154 1.00 0.00 N ATOM 752 CA MET A 52 2.931 8.117 -5.038 1.00 0.00 C ATOM 753 C MET A 52 2.086 9.382 -4.856 1.00 0.00 C ATOM 754 O MET A 52 0.895 9.318 -4.630 1.00 0.00 O ATOM 755 CB MET A 52 3.795 7.862 -3.801 1.00 0.00 C ATOM 756 CG MET A 52 2.955 8.061 -2.538 1.00 0.00 C ATOM 757 SD MET A 52 3.022 9.799 -2.035 1.00 0.00 S ATOM 758 CE MET A 52 4.814 9.895 -1.793 1.00 0.00 C ATOM 0 H MET A 52 4.885 8.274 -5.884 1.00 0.00 H new ATOM 0 HA MET A 52 2.237 7.298 -5.225 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.196 6.849 -3.827 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.647 8.542 -3.794 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.923 7.765 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.329 7.425 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.050 10.746 -1.154 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.167 8.978 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.305 10.018 -2.758 1.00 0.00 H new ATOM 768 N ASN A 53 2.697 10.533 -4.950 1.00 0.00 N ATOM 769 CA ASN A 53 1.931 11.801 -4.780 1.00 0.00 C ATOM 770 C ASN A 53 1.072 12.075 -6.018 1.00 0.00 C ATOM 771 O ASN A 53 -0.071 12.473 -5.916 1.00 0.00 O ATOM 772 CB ASN A 53 2.996 12.886 -4.615 1.00 0.00 C ATOM 773 CG ASN A 53 2.323 14.259 -4.564 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.887 14.773 -5.574 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.218 14.878 -3.419 1.00 0.00 N ATOM 0 H ASN A 53 3.693 10.649 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 53 1.252 11.761 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.566 12.715 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.702 12.846 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.770 15.793 -3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.584 14.446 -2.570 1.00 0.00 H new ATOM 782 N GLU A 54 1.616 11.867 -7.187 1.00 0.00 N ATOM 783 CA GLU A 54 0.832 12.118 -8.431 1.00 0.00 C ATOM 784 C GLU A 54 -0.597 11.592 -8.274 1.00 0.00 C ATOM 785 O GLU A 54 -1.519 12.073 -8.902 1.00 0.00 O ATOM 786 CB GLU A 54 1.570 11.346 -9.525 1.00 0.00 C ATOM 787 CG GLU A 54 2.501 12.295 -10.281 1.00 0.00 C ATOM 788 CD GLU A 54 2.599 11.856 -11.744 1.00 0.00 C ATOM 789 OE1 GLU A 54 2.565 10.661 -11.987 1.00 0.00 O ATOM 790 OE2 GLU A 54 2.707 12.723 -12.596 1.00 0.00 O ATOM 0 H GLU A 54 2.569 11.534 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 54 0.754 13.180 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.144 10.531 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.854 10.897 -10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.124 13.316 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.490 12.293 -9.823 1.00 0.00 H new ATOM 797 N ILE A 55 -0.788 10.606 -7.441 1.00 0.00 N ATOM 798 CA ILE A 55 -2.157 10.049 -7.246 1.00 0.00 C ATOM 799 C ILE A 55 -2.596 10.222 -5.789 1.00 0.00 C ATOM 800 O ILE A 55 -3.768 10.167 -5.474 1.00 0.00 O ATOM 801 CB ILE A 55 -2.031 8.568 -7.605 1.00 0.00 C ATOM 802 CG1 ILE A 55 -3.407 7.893 -7.501 1.00 0.00 C ATOM 803 CG2 ILE A 55 -1.041 7.887 -6.657 1.00 0.00 C ATOM 804 CD1 ILE A 55 -3.754 7.604 -6.036 1.00 0.00 C ATOM 0 H ILE A 55 -0.056 10.162 -6.887 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.904 10.553 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.664 8.475 -8.627 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.169 8.537 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.407 6.964 -8.071 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.955 6.832 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.065 8.364 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.397 7.980 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.732 7.126 -5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.002 6.942 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.775 8.539 -5.476 1.00 0.00 H new ATOM 816 N ASP A 56 -1.664 10.428 -4.899 1.00 0.00 N ATOM 817 CA ASP A 56 -2.032 10.603 -3.464 1.00 0.00 C ATOM 818 C ASP A 56 -3.169 11.619 -3.328 1.00 0.00 C ATOM 819 O ASP A 56 -2.943 12.809 -3.230 1.00 0.00 O ATOM 820 CB ASP A 56 -0.762 11.125 -2.789 1.00 0.00 C ATOM 821 CG ASP A 56 -0.892 10.976 -1.273 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.976 10.647 -0.820 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.094 11.195 -0.589 1.00 0.00 O ATOM 0 H ASP A 56 -0.666 10.483 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.381 9.675 -3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.106 10.571 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.602 12.171 -3.050 1.00 0.00 H new ATOM 828 N VAL A 57 -4.390 11.158 -3.318 1.00 0.00 N ATOM 829 CA VAL A 57 -5.539 12.098 -3.187 1.00 0.00 C ATOM 830 C VAL A 57 -5.537 12.745 -1.800 1.00 0.00 C ATOM 831 O VAL A 57 -5.861 13.906 -1.646 1.00 0.00 O ATOM 832 CB VAL A 57 -6.783 11.229 -3.369 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.746 10.565 -4.747 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.813 10.148 -2.285 1.00 0.00 C ATOM 0 H VAL A 57 -4.641 10.172 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.496 12.907 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.674 11.851 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.633 9.945 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.724 11.333 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.854 9.943 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.700 9.528 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.921 9.527 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.839 10.619 -1.302 1.00 0.00 H new ATOM 844 N ASP A 58 -5.175 12.003 -0.790 1.00 0.00 N ATOM 845 CA ASP A 58 -5.153 12.576 0.587 1.00 0.00 C ATOM 846 C ASP A 58 -3.801 13.243 0.860 1.00 0.00 C ATOM 847 O ASP A 58 -3.720 14.247 1.539 1.00 0.00 O ATOM 848 CB ASP A 58 -5.358 11.380 1.516 1.00 0.00 C ATOM 849 CG ASP A 58 -6.496 10.508 0.982 1.00 0.00 C ATOM 850 OD1 ASP A 58 -7.641 10.897 1.142 1.00 0.00 O ATOM 851 OD2 ASP A 58 -6.203 9.464 0.423 1.00 0.00 O ATOM 0 H ASP A 58 -4.893 11.025 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.918 13.339 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.440 10.797 1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.592 11.724 2.523 1.00 0.00 H new ATOM 856 N GLY A 59 -2.740 12.691 0.337 1.00 0.00 N ATOM 857 CA GLY A 59 -1.397 13.295 0.568 1.00 0.00 C ATOM 858 C GLY A 59 -0.772 12.689 1.826 1.00 0.00 C ATOM 859 O GLY A 59 -0.358 13.394 2.725 1.00 0.00 O ATOM 0 H GLY A 59 -2.745 11.849 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.753 13.115 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.487 14.376 0.679 1.00 0.00 H new ATOM 863 N ASN A 60 -0.699 11.389 1.897 1.00 0.00 N ATOM 864 CA ASN A 60 -0.099 10.739 3.099 1.00 0.00 C ATOM 865 C ASN A 60 1.182 9.996 2.712 1.00 0.00 C ATOM 866 O ASN A 60 1.496 8.956 3.258 1.00 0.00 O ATOM 867 CB ASN A 60 -1.161 9.755 3.589 1.00 0.00 C ATOM 868 CG ASN A 60 -2.529 10.439 3.596 1.00 0.00 C ATOM 869 OD1 ASN A 60 -3.515 9.856 3.191 1.00 0.00 O ATOM 870 ND2 ASN A 60 -2.633 11.660 4.044 1.00 0.00 N ATOM 0 H ASN A 60 -1.028 10.747 1.176 1.00 0.00 H new ATOM 0 HA ASN A 60 0.172 11.462 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.185 8.878 2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.913 9.405 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.541 12.124 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.806 12.151 4.384 1.00 0.00 H new ATOM 877 N HIS A 61 1.924 10.520 1.776 1.00 0.00 N ATOM 878 CA HIS A 61 3.185 9.841 1.354 1.00 0.00 C ATOM 879 C HIS A 61 2.870 8.464 0.766 1.00 0.00 C ATOM 880 O HIS A 61 3.750 7.654 0.549 1.00 0.00 O ATOM 881 CB HIS A 61 4.012 9.703 2.633 1.00 0.00 C ATOM 882 CG HIS A 61 3.986 11.001 3.394 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.637 12.200 2.797 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.262 11.301 4.706 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.711 13.159 3.739 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.088 12.664 4.920 1.00 0.00 N ATOM 0 H HIS A 61 1.713 11.388 1.284 1.00 0.00 H new ATOM 0 HA HIS A 61 3.718 10.401 0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.612 8.899 3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.039 9.435 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.568 10.587 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.492 14.201 3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.220 13.176 5.792 1.00 0.00 H new ATOM 894 N GLN A 62 1.620 8.192 0.505 1.00 0.00 N ATOM 895 CA GLN A 62 1.247 6.868 -0.070 1.00 0.00 C ATOM 896 C GLN A 62 -0.218 6.878 -0.508 1.00 0.00 C ATOM 897 O GLN A 62 -0.992 7.723 -0.106 1.00 0.00 O ATOM 898 CB GLN A 62 1.457 5.856 1.059 1.00 0.00 C ATOM 899 CG GLN A 62 0.952 6.441 2.380 1.00 0.00 C ATOM 900 CD GLN A 62 0.032 5.430 3.068 1.00 0.00 C ATOM 901 OE1 GLN A 62 0.245 4.237 2.976 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.989 5.859 3.757 1.00 0.00 N ATOM 0 H GLN A 62 0.841 8.830 0.665 1.00 0.00 H new ATOM 0 HA GLN A 62 1.845 6.623 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.926 4.931 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.514 5.605 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.794 6.682 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.415 7.371 2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.168 6.860 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.609 5.193 4.219 1.00 0.00 H new ATOM 911 N ILE A 63 -0.602 5.945 -1.333 1.00 0.00 N ATOM 912 CA ILE A 63 -2.012 5.901 -1.802 1.00 0.00 C ATOM 913 C ILE A 63 -2.545 4.467 -1.753 1.00 0.00 C ATOM 914 O ILE A 63 -1.799 3.511 -1.834 1.00 0.00 O ATOM 915 CB ILE A 63 -1.957 6.399 -3.243 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.336 5.322 -4.131 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.113 7.672 -3.316 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.434 4.376 -4.619 1.00 0.00 C ATOM 0 H ILE A 63 0.002 5.210 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.674 6.505 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.968 6.617 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.831 5.781 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.581 4.766 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.076 8.025 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.559 8.441 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.102 7.459 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.995 3.606 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.918 3.908 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.172 4.939 -5.190 1.00 0.00 H new ATOM 930 N GLU A 64 -3.834 4.310 -1.634 1.00 0.00 N ATOM 931 CA GLU A 64 -4.420 2.941 -1.596 1.00 0.00 C ATOM 932 C GLU A 64 -4.974 2.587 -2.977 1.00 0.00 C ATOM 933 O GLU A 64 -4.629 3.202 -3.965 1.00 0.00 O ATOM 934 CB GLU A 64 -5.547 3.016 -0.565 1.00 0.00 C ATOM 935 CG GLU A 64 -4.956 3.293 0.820 1.00 0.00 C ATOM 936 CD GLU A 64 -6.082 3.627 1.799 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.600 4.729 1.722 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.407 2.775 2.610 1.00 0.00 O ATOM 0 H GLU A 64 -4.508 5.072 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.688 2.177 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.250 3.804 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.106 2.080 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.401 2.423 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.249 4.121 0.766 1.00 0.00 H new ATOM 945 N PHE A 65 -5.832 1.609 -3.061 1.00 0.00 N ATOM 946 CA PHE A 65 -6.393 1.244 -4.392 1.00 0.00 C ATOM 947 C PHE A 65 -7.279 2.375 -4.916 1.00 0.00 C ATOM 948 O PHE A 65 -6.917 3.079 -5.836 1.00 0.00 O ATOM 949 CB PHE A 65 -7.225 -0.013 -4.163 1.00 0.00 C ATOM 950 CG PHE A 65 -8.005 -0.293 -5.420 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.324 -0.547 -6.614 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.403 -0.278 -5.399 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.040 -0.788 -7.791 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.120 -0.522 -6.575 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.438 -0.775 -7.770 1.00 0.00 C ATOM 0 H PHE A 65 -6.166 1.052 -2.275 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.607 1.076 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.580 -0.857 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.900 0.126 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.244 -0.557 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.928 -0.078 -4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.514 -0.984 -8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.200 -0.515 -6.560 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.992 -0.961 -8.678 1.00 0.00 H new ATOM 965 N SER A 66 -8.440 2.543 -4.336 1.00 0.00 N ATOM 966 CA SER A 66 -9.371 3.624 -4.786 1.00 0.00 C ATOM 967 C SER A 66 -8.586 4.861 -5.232 1.00 0.00 C ATOM 968 O SER A 66 -8.912 5.487 -6.221 1.00 0.00 O ATOM 969 CB SER A 66 -10.223 3.946 -3.560 1.00 0.00 C ATOM 970 OG SER A 66 -11.438 4.555 -3.979 1.00 0.00 O ATOM 0 H SER A 66 -8.786 1.974 -3.564 1.00 0.00 H new ATOM 0 HA SER A 66 -9.976 3.314 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.434 3.035 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.680 4.613 -2.891 1.00 0.00 H new ATOM 0 HG SER A 66 -11.988 4.761 -3.195 1.00 0.00 H new ATOM 976 N GLU A 67 -7.545 5.210 -4.525 1.00 0.00 N ATOM 977 CA GLU A 67 -6.741 6.395 -4.934 1.00 0.00 C ATOM 978 C GLU A 67 -6.135 6.131 -6.312 1.00 0.00 C ATOM 979 O GLU A 67 -6.205 6.953 -7.207 1.00 0.00 O ATOM 980 CB GLU A 67 -5.646 6.522 -3.873 1.00 0.00 C ATOM 981 CG GLU A 67 -6.289 6.686 -2.495 1.00 0.00 C ATOM 982 CD GLU A 67 -5.267 7.277 -1.520 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.537 8.166 -1.926 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.231 6.829 -0.387 1.00 0.00 O ATOM 0 H GLU A 67 -7.219 4.728 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.332 7.309 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.008 5.638 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.009 7.378 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.160 7.337 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.641 5.721 -2.129 1.00 0.00 H new ATOM 991 N PHE A 68 -5.559 4.975 -6.492 1.00 0.00 N ATOM 992 CA PHE A 68 -4.967 4.628 -7.812 1.00 0.00 C ATOM 993 C PHE A 68 -6.033 4.784 -8.898 1.00 0.00 C ATOM 994 O PHE A 68 -5.767 5.271 -9.979 1.00 0.00 O ATOM 995 CB PHE A 68 -4.536 3.164 -7.663 1.00 0.00 C ATOM 996 CG PHE A 68 -4.466 2.491 -9.016 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.788 3.106 -10.074 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.074 1.245 -9.205 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.717 2.473 -11.321 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.004 0.613 -10.450 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.325 1.226 -11.509 1.00 0.00 C ATOM 0 H PHE A 68 -5.473 4.253 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.129 5.266 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.563 3.113 -7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.242 2.634 -7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.320 4.068 -9.929 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.598 0.771 -8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.193 2.947 -12.138 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.474 -0.349 -10.595 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.270 0.737 -12.471 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.241 4.381 -8.610 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.333 4.512 -9.614 1.00 0.00 C ATOM 1013 C LEU A 69 -8.617 5.990 -9.887 1.00 0.00 C ATOM 1014 O LEU A 69 -8.662 6.425 -11.020 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.547 3.843 -8.967 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.623 2.384 -9.418 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -10.013 2.328 -10.894 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.259 1.722 -9.225 1.00 0.00 C ATOM 0 H LEU A 69 -7.518 3.966 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.077 4.054 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.470 3.896 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.459 4.370 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.370 1.857 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.067 1.288 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.985 2.802 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.265 2.854 -11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.311 0.682 -9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.512 2.248 -9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.980 1.763 -8.172 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.804 6.766 -8.854 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.077 8.216 -9.054 1.00 0.00 C ATOM 1032 C ALA A 70 -8.140 8.781 -10.123 1.00 0.00 C ATOM 1033 O ALA A 70 -8.562 9.463 -11.035 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.799 8.863 -7.696 1.00 0.00 C ATOM 0 H ALA A 70 -8.779 6.458 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.096 8.405 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.978 9.936 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.459 8.430 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.761 8.685 -7.414 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.869 8.498 -10.018 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.908 9.016 -11.032 1.00 0.00 C ATOM 1042 C LEU A 71 -5.937 8.136 -12.285 1.00 0.00 C ATOM 1043 O LEU A 71 -5.614 8.576 -13.370 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.538 8.942 -10.356 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.468 9.468 -11.313 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.470 10.997 -11.291 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.094 8.956 -10.872 1.00 0.00 C ATOM 0 H LEU A 71 -6.457 7.932 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.150 10.030 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.541 9.530 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.315 7.913 -10.074 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.681 9.118 -12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.707 11.372 -11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.448 11.364 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.257 11.347 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.330 9.330 -11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.882 9.306 -9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.090 7.866 -10.886 1.00 0.00 H new ATOM 1059 N MET A 72 -6.324 6.896 -12.144 1.00 0.00 N ATOM 1060 CA MET A 72 -6.373 5.995 -13.332 1.00 0.00 C ATOM 1061 C MET A 72 -7.477 6.448 -14.291 1.00 0.00 C ATOM 1062 O MET A 72 -7.219 7.090 -15.290 1.00 0.00 O ATOM 1063 CB MET A 72 -6.688 4.608 -12.772 1.00 0.00 C ATOM 1064 CG MET A 72 -5.554 3.648 -13.135 1.00 0.00 C ATOM 1065 SD MET A 72 -5.488 3.443 -14.931 1.00 0.00 S ATOM 1066 CE MET A 72 -4.009 2.402 -14.986 1.00 0.00 C ATOM 0 H MET A 72 -6.607 6.470 -11.262 1.00 0.00 H new ATOM 0 HA MET A 72 -5.438 6.003 -13.893 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.805 4.658 -11.689 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.632 4.245 -13.178 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.604 4.035 -12.767 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.712 2.683 -12.654 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.728 2.223 -16.024 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.191 2.905 -14.470 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.216 1.450 -14.497 1.00 0.00 H new