USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 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 6 LYS NZ :NH3+ 169:sc= 0.397 (180deg=0.341) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -13.1! C(o=-13!,f=-11!) USER MOD Single : A 26 SER OG : rot -11:sc= 0.386 USER MOD Single : A 31 MET CE :methyl 167:sc= -5.98! (180deg=-6.18!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 26:sc= -1.4 USER MOD Single : A 42 CYS SG : rot -60:sc= -3.37 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.11) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= -0.15 (180deg=-0.587) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.707 K(o=0.71,f=-0.89) USER MOD Single : A 59 THR OG1 : rot -26:sc= -0.484 USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0177 (180deg=-0.27) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 77 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= -0.0303 (180deg=-0.28) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.226 1.219 -8.598 1.00 0.00 N ATOM 103 CA VAL A 5 -9.782 1.026 -8.682 1.00 0.00 C ATOM 104 C VAL A 5 -9.165 0.692 -7.330 1.00 0.00 C ATOM 105 O VAL A 5 -7.981 0.441 -7.256 1.00 0.00 O ATOM 106 CB VAL A 5 -9.051 2.254 -9.266 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.780 3.287 -8.186 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.748 1.876 -9.954 1.00 0.00 C ATOM 0 HA VAL A 5 -9.650 0.181 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.713 2.683 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.264 4.143 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.724 3.615 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.157 2.845 -7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.271 2.773 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.083 1.397 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.955 1.186 -10.772 1.00 0.00 H new ATOM 118 N LYS A 6 -9.936 0.715 -6.248 1.00 0.00 N ATOM 119 CA LYS A 6 -9.355 0.428 -4.940 1.00 0.00 C ATOM 120 C LYS A 6 -8.448 -0.790 -5.051 1.00 0.00 C ATOM 121 O LYS A 6 -7.278 -0.744 -4.671 1.00 0.00 O ATOM 122 CB LYS A 6 -10.462 0.173 -3.911 1.00 0.00 C ATOM 123 CG LYS A 6 -9.964 -0.426 -2.605 1.00 0.00 C ATOM 124 CD LYS A 6 -11.101 -0.639 -1.622 1.00 0.00 C ATOM 125 CE LYS A 6 -10.619 -1.322 -0.351 1.00 0.00 C ATOM 126 NZ LYS A 6 -11.722 -1.521 0.630 1.00 0.00 N ATOM 0 H LYS A 6 -10.935 0.923 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.770 1.286 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.970 1.114 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.203 -0.497 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.471 -1.377 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.217 0.233 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.552 0.321 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.878 -1.244 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.180 -2.287 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.831 -0.723 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.398 -2.148 1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.000 -0.603 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.539 -1.951 0.151 1.00 0.00 H new ATOM 140 N GLU A 7 -8.981 -1.853 -5.623 1.00 0.00 N ATOM 141 CA GLU A 7 -8.207 -3.065 -5.839 1.00 0.00 C ATOM 142 C GLU A 7 -7.274 -2.912 -7.046 1.00 0.00 C ATOM 143 O GLU A 7 -6.223 -3.542 -7.102 1.00 0.00 O ATOM 144 CB GLU A 7 -9.133 -4.267 -6.033 1.00 0.00 C ATOM 145 CG GLU A 7 -8.394 -5.575 -6.259 1.00 0.00 C ATOM 146 CD GLU A 7 -9.333 -6.750 -6.449 1.00 0.00 C ATOM 147 OE1 GLU A 7 -10.124 -7.033 -5.525 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.277 -7.387 -7.521 1.00 0.00 O ATOM 0 H GLU A 7 -9.947 -1.904 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.595 -3.236 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.772 -4.368 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.787 -4.077 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.755 -5.480 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.741 -5.771 -5.409 1.00 0.00 H new ATOM 155 N ASP A 8 -7.678 -2.091 -8.024 1.00 0.00 N ATOM 156 CA ASP A 8 -6.873 -1.883 -9.236 1.00 0.00 C ATOM 157 C ASP A 8 -5.530 -1.212 -8.923 1.00 0.00 C ATOM 158 O ASP A 8 -4.469 -1.725 -9.285 1.00 0.00 O ATOM 159 CB ASP A 8 -7.659 -1.074 -10.257 1.00 0.00 C ATOM 160 CG ASP A 8 -8.746 -1.888 -10.933 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.885 -3.084 -10.599 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.460 -1.330 -11.793 1.00 0.00 O ATOM 0 H ASP A 8 -8.551 -1.563 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.650 -2.862 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.109 -0.212 -9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.976 -0.688 -11.013 1.00 0.00 H new ATOM 167 N ILE A 9 -5.582 -0.093 -8.211 1.00 0.00 N ATOM 168 CA ILE A 9 -4.386 0.621 -7.798 1.00 0.00 C ATOM 169 C ILE A 9 -3.590 -0.281 -6.874 1.00 0.00 C ATOM 170 O ILE A 9 -2.382 -0.455 -7.037 1.00 0.00 O ATOM 171 CB ILE A 9 -4.747 1.953 -7.086 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.043 3.041 -8.120 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.643 2.408 -6.137 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.454 4.363 -7.506 1.00 0.00 C ATOM 0 H ILE A 9 -6.453 0.342 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.792 0.877 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.640 1.775 -6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.157 3.196 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.836 2.695 -8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.936 3.343 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.482 1.646 -5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.721 2.560 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.648 5.087 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.357 4.223 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.653 4.732 -6.866 1.00 0.00 H new ATOM 186 N ARG A 10 -4.295 -0.887 -5.925 1.00 0.00 N ATOM 187 CA ARG A 10 -3.676 -1.815 -4.997 1.00 0.00 C ATOM 188 C ARG A 10 -3.009 -2.935 -5.781 1.00 0.00 C ATOM 189 O ARG A 10 -2.044 -3.544 -5.320 1.00 0.00 O ATOM 190 CB ARG A 10 -4.730 -2.397 -4.052 1.00 0.00 C ATOM 191 CG ARG A 10 -4.185 -2.765 -2.689 1.00 0.00 C ATOM 192 CD ARG A 10 -3.742 -1.525 -1.941 1.00 0.00 C ATOM 193 NE ARG A 10 -2.351 -1.611 -1.503 1.00 0.00 N ATOM 194 CZ ARG A 10 -1.722 -0.652 -0.825 1.00 0.00 C ATOM 195 NH1 ARG A 10 -2.312 0.517 -0.614 1.00 0.00 N ATOM 196 NH2 ARG A 10 -0.490 -0.850 -0.377 1.00 0.00 N ATOM 0 H ARG A 10 -5.295 -0.750 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.929 -1.288 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.535 -1.672 -3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.167 -3.284 -4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.949 -3.289 -2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.344 -3.449 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.866 -0.652 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.386 -1.377 -1.074 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.829 -2.457 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.252 0.686 -0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.825 1.247 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.021 -1.739 -0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.011 -0.114 0.142 1.00 0.00 H new ATOM 210 N GLY A 11 -3.523 -3.185 -6.985 1.00 0.00 N ATOM 211 CA GLY A 11 -2.948 -4.213 -7.828 1.00 0.00 C ATOM 212 C GLY A 11 -1.550 -3.824 -8.229 1.00 0.00 C ATOM 213 O GLY A 11 -0.602 -4.599 -8.089 1.00 0.00 O ATOM 0 H GLY A 11 -4.323 -2.695 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.932 -5.164 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.564 -4.354 -8.716 1.00 0.00 H new ATOM 217 N GLN A 12 -1.427 -2.587 -8.687 1.00 0.00 N ATOM 218 CA GLN A 12 -0.143 -2.036 -9.068 1.00 0.00 C ATOM 219 C GLN A 12 0.770 -1.990 -7.846 1.00 0.00 C ATOM 220 O GLN A 12 1.992 -2.087 -7.959 1.00 0.00 O ATOM 221 CB GLN A 12 -0.325 -0.631 -9.641 1.00 0.00 C ATOM 222 CG GLN A 12 -1.152 -0.583 -10.914 1.00 0.00 C ATOM 223 CD GLN A 12 -1.242 0.815 -11.492 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.232 1.412 -11.865 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.456 1.349 -11.567 1.00 0.00 N ATOM 0 H GLN A 12 -2.210 -1.944 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 12 0.309 -2.668 -9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.800 -0.002 -8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.657 -0.202 -9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.713 -1.252 -11.654 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.156 -0.953 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.267 0.819 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.577 2.289 -11.945 1.00 0.00 H new ATOM 234 N ILE A 13 0.151 -1.848 -6.673 1.00 0.00 N ATOM 235 CA ILE A 13 0.876 -1.794 -5.412 1.00 0.00 C ATOM 236 C ILE A 13 1.464 -3.157 -5.067 1.00 0.00 C ATOM 237 O ILE A 13 2.628 -3.257 -4.690 1.00 0.00 O ATOM 238 CB ILE A 13 -0.037 -1.307 -4.265 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.450 0.146 -4.510 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.653 -1.452 -2.915 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.336 0.718 -3.427 1.00 0.00 C ATOM 0 H ILE A 13 -0.861 -1.768 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 13 1.691 -1.080 -5.531 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.931 -1.930 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.447 0.760 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.972 0.210 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.013 -1.102 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.899 -2.500 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.567 -0.859 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.587 1.750 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.250 0.129 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.810 0.687 -2.473 1.00 0.00 H new ATOM 253 N ILE A 14 0.661 -4.208 -5.215 1.00 0.00 N ATOM 254 CA ILE A 14 1.129 -5.560 -4.934 1.00 0.00 C ATOM 255 C ILE A 14 2.405 -5.839 -5.725 1.00 0.00 C ATOM 256 O ILE A 14 3.406 -6.294 -5.169 1.00 0.00 O ATOM 257 CB ILE A 14 0.046 -6.614 -5.267 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.976 -6.698 -4.130 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.665 -7.982 -5.525 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.369 -7.102 -2.805 1.00 0.00 C ATOM 0 H ILE A 14 -0.309 -4.149 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 14 1.342 -5.633 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.461 -6.300 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.464 -5.730 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.751 -7.416 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.122 -8.700 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.355 -7.916 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.206 -8.310 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.149 -7.142 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.094 -8.084 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.386 -6.372 -2.513 1.00 0.00 H new ATOM 272 N GLY A 15 2.370 -5.530 -7.016 1.00 0.00 N ATOM 273 CA GLY A 15 3.543 -5.722 -7.846 1.00 0.00 C ATOM 274 C GLY A 15 4.671 -4.816 -7.401 1.00 0.00 C ATOM 275 O GLY A 15 5.840 -5.203 -7.411 1.00 0.00 O ATOM 0 H GLY A 15 1.555 -5.152 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.864 -6.762 -7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.295 -5.516 -8.887 1.00 0.00 H new ATOM 279 N ALA A 16 4.304 -3.603 -6.997 1.00 0.00 N ATOM 280 CA ALA A 16 5.264 -2.615 -6.524 1.00 0.00 C ATOM 281 C ALA A 16 5.978 -3.105 -5.265 1.00 0.00 C ATOM 282 O ALA A 16 7.117 -2.727 -4.997 1.00 0.00 O ATOM 283 CB ALA A 16 4.558 -1.289 -6.259 1.00 0.00 C ATOM 0 H ALA A 16 3.337 -3.280 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 16 6.017 -2.466 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.283 -0.555 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.099 -0.931 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.787 -1.432 -5.501 1.00 0.00 H new ATOM 289 N LEU A 17 5.298 -3.956 -4.503 1.00 0.00 N ATOM 290 CA LEU A 17 5.846 -4.514 -3.276 1.00 0.00 C ATOM 291 C LEU A 17 6.773 -5.676 -3.591 1.00 0.00 C ATOM 292 O LEU A 17 7.726 -5.948 -2.860 1.00 0.00 O ATOM 293 CB LEU A 17 4.712 -4.979 -2.360 1.00 0.00 C ATOM 294 CG LEU A 17 3.929 -3.857 -1.667 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.624 -4.387 -1.092 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.774 -3.225 -0.568 1.00 0.00 C ATOM 0 H LEU A 17 4.354 -4.276 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 17 6.419 -3.740 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.015 -5.577 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.130 -5.634 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 17 3.691 -3.095 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.085 -3.575 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.013 -4.798 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.838 -5.168 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.206 -2.430 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.038 -3.983 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.683 -2.809 -1.002 1.00 0.00 H new ATOM 308 N ALA A 18 6.483 -6.356 -4.692 1.00 0.00 N ATOM 309 CA ALA A 18 7.286 -7.496 -5.122 1.00 0.00 C ATOM 310 C ALA A 18 8.747 -7.098 -5.304 1.00 0.00 C ATOM 311 O ALA A 18 9.048 -6.057 -5.889 1.00 0.00 O ATOM 312 CB ALA A 18 6.730 -8.077 -6.413 1.00 0.00 C ATOM 0 H ALA A 18 5.697 -6.139 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 18 7.237 -8.258 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.339 -8.927 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.703 -8.406 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.748 -7.315 -7.192 1.00 0.00 H new ATOM 318 N GLY A 19 9.655 -7.930 -4.799 1.00 0.00 N ATOM 319 CA GLY A 19 11.073 -7.640 -4.919 1.00 0.00 C ATOM 320 C GLY A 19 11.728 -7.355 -3.581 1.00 0.00 C ATOM 321 O GLY A 19 12.899 -7.674 -3.375 1.00 0.00 O ATOM 0 H GLY A 19 9.434 -8.798 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.574 -8.485 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.210 -6.781 -5.576 1.00 0.00 H new ATOM 325 N ALA A 20 10.971 -6.747 -2.671 1.00 0.00 N ATOM 326 CA ALA A 20 11.481 -6.410 -1.342 1.00 0.00 C ATOM 327 C ALA A 20 12.103 -7.618 -0.661 1.00 0.00 C ATOM 328 O ALA A 20 12.178 -8.700 -1.239 1.00 0.00 O ATOM 329 CB ALA A 20 10.354 -5.864 -0.479 1.00 0.00 C ATOM 0 H ALA A 20 10.000 -6.477 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 20 12.255 -5.652 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.740 -5.615 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.941 -4.968 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.571 -6.617 -0.384 1.00 0.00 H new ATOM 335 N ASP A 21 12.512 -7.425 0.588 1.00 0.00 N ATOM 336 CA ASP A 21 13.087 -8.500 1.386 1.00 0.00 C ATOM 337 C ASP A 21 12.043 -9.607 1.518 1.00 0.00 C ATOM 338 O ASP A 21 11.543 -10.091 0.503 1.00 0.00 O ATOM 339 CB ASP A 21 13.512 -7.940 2.743 1.00 0.00 C ATOM 340 CG ASP A 21 14.860 -7.250 2.677 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.028 -6.357 1.820 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.747 -7.603 3.480 1.00 0.00 O ATOM 0 H ASP A 21 12.455 -6.529 1.071 1.00 0.00 H new ATOM 0 HA ASP A 21 13.974 -8.921 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.760 -7.234 3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.555 -8.749 3.472 1.00 0.00 H new ATOM 347 N PHE A 22 11.648 -9.985 2.736 1.00 0.00 N ATOM 348 CA PHE A 22 10.601 -10.988 2.862 1.00 0.00 C ATOM 349 C PHE A 22 9.373 -10.411 2.168 1.00 0.00 C ATOM 350 O PHE A 22 9.467 -9.343 1.564 1.00 0.00 O ATOM 351 CB PHE A 22 10.336 -11.354 4.348 1.00 0.00 C ATOM 352 CG PHE A 22 9.528 -10.352 5.151 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.408 -9.751 4.599 1.00 0.00 C ATOM 354 CD2 PHE A 22 9.878 -10.013 6.449 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.663 -8.844 5.330 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.145 -9.112 7.180 1.00 0.00 C ATOM 357 CZ PHE A 22 8.061 -8.506 6.623 1.00 0.00 C ATOM 0 H PHE A 22 12.023 -9.626 3.614 1.00 0.00 H new ATOM 0 HA PHE A 22 10.891 -11.928 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.819 -12.313 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.297 -11.494 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.114 -9.993 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.749 -10.469 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.777 -8.399 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.428 -8.884 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.510 -7.764 7.182 1.00 0.00 H new ATOM 367 N PRO A 23 8.202 -11.046 2.228 1.00 0.00 N ATOM 368 CA PRO A 23 7.030 -10.480 1.579 1.00 0.00 C ATOM 369 C PRO A 23 6.528 -9.201 2.275 1.00 0.00 C ATOM 370 O PRO A 23 5.390 -9.169 2.737 1.00 0.00 O ATOM 371 CB PRO A 23 6.001 -11.604 1.664 1.00 0.00 C ATOM 372 CG PRO A 23 6.402 -12.396 2.858 1.00 0.00 C ATOM 373 CD PRO A 23 7.903 -12.315 2.922 1.00 0.00 C ATOM 0 HA PRO A 23 7.238 -10.164 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.991 -11.209 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.008 -12.216 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.950 -11.992 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.070 -13.431 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.262 -12.306 3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.374 -13.165 2.428 1.00 0.00 H new ATOM 381 N ILE A 24 7.390 -8.145 2.313 1.00 0.00 N ATOM 382 CA ILE A 24 7.050 -6.822 2.902 1.00 0.00 C ATOM 383 C ILE A 24 7.813 -6.453 4.195 1.00 0.00 C ATOM 384 O ILE A 24 7.202 -6.290 5.252 1.00 0.00 O ATOM 385 CB ILE A 24 5.534 -6.680 3.149 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.789 -6.798 1.821 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.214 -5.354 3.823 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.259 -5.799 0.796 1.00 0.00 C ATOM 0 H ILE A 24 8.337 -8.190 1.936 1.00 0.00 H new ATOM 0 HA ILE A 24 7.380 -6.114 2.141 1.00 0.00 H new ATOM 0 HB ILE A 24 5.210 -7.479 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.918 -7.805 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.722 -6.658 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.139 -5.279 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.731 -5.299 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.543 -4.533 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.694 -5.931 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.104 -4.789 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.319 -5.954 0.597 1.00 0.00 H new ATOM 400 N ASN A 25 9.132 -6.278 4.105 1.00 0.00 N ATOM 401 CA ASN A 25 9.941 -5.885 5.273 1.00 0.00 C ATOM 402 C ASN A 25 9.559 -4.499 5.777 1.00 0.00 C ATOM 403 O ASN A 25 10.361 -3.567 5.690 1.00 0.00 O ATOM 404 CB ASN A 25 11.426 -5.853 4.920 1.00 0.00 C ATOM 405 CG ASN A 25 12.141 -7.162 5.172 1.00 0.00 C ATOM 406 OD1 ASN A 25 13.363 -7.193 5.317 1.00 0.00 O ATOM 407 ND2 ASN A 25 11.398 -8.250 5.194 1.00 0.00 N ATOM 0 H ASN A 25 9.665 -6.400 3.244 1.00 0.00 H new ATOM 0 HA ASN A 25 9.747 -6.627 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.534 -5.587 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.911 -5.067 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.833 -9.162 5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.388 -8.180 5.070 1.00 0.00 H new ATOM 414 N SER A 26 8.346 -4.342 6.282 1.00 0.00 N ATOM 415 CA SER A 26 7.906 -3.041 6.760 1.00 0.00 C ATOM 416 C SER A 26 7.983 -2.044 5.614 1.00 0.00 C ATOM 417 O SER A 26 8.745 -2.237 4.667 1.00 0.00 O ATOM 418 CB SER A 26 8.769 -2.561 7.931 1.00 0.00 C ATOM 419 OG SER A 26 10.048 -2.137 7.493 1.00 0.00 O ATOM 0 H SER A 26 7.656 -5.088 6.371 1.00 0.00 H new ATOM 0 HA SER A 26 6.879 -3.124 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.267 -1.739 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.880 -3.367 8.657 1.00 0.00 H new ATOM 0 HG SER A 26 10.179 -2.404 6.559 1.00 0.00 H new ATOM 425 N PRO A 27 7.193 -0.976 5.653 1.00 0.00 N ATOM 426 CA PRO A 27 7.200 0.005 4.583 1.00 0.00 C ATOM 427 C PRO A 27 8.597 0.463 4.212 1.00 0.00 C ATOM 428 O PRO A 27 8.867 0.739 3.054 1.00 0.00 O ATOM 429 CB PRO A 27 6.363 1.158 5.138 1.00 0.00 C ATOM 430 CG PRO A 27 5.463 0.522 6.141 1.00 0.00 C ATOM 431 CD PRO A 27 6.224 -0.647 6.711 1.00 0.00 C ATOM 0 HA PRO A 27 6.800 -0.407 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.993 1.920 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.793 1.649 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.193 1.230 6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.534 0.192 5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.722 -0.385 7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.565 -1.488 6.927 1.00 0.00 H new ATOM 439 N GLU A 28 9.490 0.534 5.182 1.00 0.00 N ATOM 440 CA GLU A 28 10.855 0.957 4.905 1.00 0.00 C ATOM 441 C GLU A 28 11.464 0.122 3.775 1.00 0.00 C ATOM 442 O GLU A 28 11.924 0.659 2.762 1.00 0.00 O ATOM 443 CB GLU A 28 11.709 0.829 6.167 1.00 0.00 C ATOM 444 CG GLU A 28 11.147 1.583 7.362 1.00 0.00 C ATOM 445 CD GLU A 28 11.041 3.075 7.114 1.00 0.00 C ATOM 446 OE1 GLU A 28 10.312 3.473 6.181 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.689 3.847 7.853 1.00 0.00 O ATOM 0 H GLU A 28 9.301 0.308 6.158 1.00 0.00 H new ATOM 0 HA GLU A 28 10.834 2.000 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.804 -0.226 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.713 1.197 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.161 1.188 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.783 1.407 8.230 1.00 0.00 H new ATOM 454 N GLU A 29 11.471 -1.193 3.956 1.00 0.00 N ATOM 455 CA GLU A 29 12.032 -2.098 2.970 1.00 0.00 C ATOM 456 C GLU A 29 11.149 -2.268 1.749 1.00 0.00 C ATOM 457 O GLU A 29 11.590 -2.033 0.626 1.00 0.00 O ATOM 458 CB GLU A 29 12.200 -3.443 3.591 1.00 0.00 C ATOM 459 CG GLU A 29 12.991 -4.392 2.711 1.00 0.00 C ATOM 460 CD GLU A 29 14.361 -3.844 2.359 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.157 -3.594 3.288 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.637 -3.666 1.154 1.00 0.00 O ATOM 0 H GLU A 29 11.091 -1.655 4.782 1.00 0.00 H new ATOM 0 HA GLU A 29 12.979 -1.666 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.705 -3.336 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.219 -3.872 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.105 -5.348 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.433 -4.585 1.795 1.00 0.00 H new ATOM 469 N LEU A 30 9.908 -2.708 1.960 1.00 0.00 N ATOM 470 CA LEU A 30 8.997 -2.925 0.847 1.00 0.00 C ATOM 471 C LEU A 30 8.995 -1.685 -0.039 1.00 0.00 C ATOM 472 O LEU A 30 9.030 -1.790 -1.266 1.00 0.00 O ATOM 473 CB LEU A 30 7.592 -3.234 1.370 1.00 0.00 C ATOM 474 CG LEU A 30 6.874 -2.056 2.022 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.238 -1.162 0.973 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.827 -2.538 3.009 1.00 0.00 C ATOM 0 H LEU A 30 9.519 -2.917 2.879 1.00 0.00 H new ATOM 0 HA LEU A 30 9.326 -3.780 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.984 -3.598 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.661 -4.045 2.095 1.00 0.00 H new ATOM 0 HG LEU A 30 7.617 -1.473 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.732 -0.330 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.010 -0.777 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.514 -1.737 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.330 -1.679 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.091 -3.151 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.307 -3.130 3.788 1.00 0.00 H new ATOM 488 N MET A 31 9.029 -0.511 0.591 1.00 0.00 N ATOM 489 CA MET A 31 9.101 0.738 -0.154 1.00 0.00 C ATOM 490 C MET A 31 10.415 0.793 -0.907 1.00 0.00 C ATOM 491 O MET A 31 10.484 1.319 -2.019 1.00 0.00 O ATOM 492 CB MET A 31 9.000 1.965 0.756 1.00 0.00 C ATOM 493 CG MET A 31 7.587 2.294 1.196 1.00 0.00 C ATOM 494 SD MET A 31 7.486 3.863 2.083 1.00 0.00 S ATOM 495 CE MET A 31 8.466 3.503 3.537 1.00 0.00 C ATOM 0 H MET A 31 9.008 -0.402 1.605 1.00 0.00 H new ATOM 0 HA MET A 31 8.254 0.761 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.615 1.800 1.640 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.417 2.827 0.234 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.937 2.332 0.322 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.214 1.494 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.689 4.431 4.064 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.909 2.837 4.196 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.397 3.022 3.238 1.00 0.00 H new ATOM 505 N ALA A 32 11.466 0.238 -0.300 1.00 0.00 N ATOM 506 CA ALA A 32 12.770 0.230 -0.943 1.00 0.00 C ATOM 507 C ALA A 32 12.766 -0.692 -2.157 1.00 0.00 C ATOM 508 O ALA A 32 13.545 -0.514 -3.092 1.00 0.00 O ATOM 509 CB ALA A 32 13.845 -0.184 0.045 1.00 0.00 C ATOM 0 H ALA A 32 11.437 -0.203 0.619 1.00 0.00 H new ATOM 0 HA ALA A 32 12.991 1.240 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.815 -0.185 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.864 0.519 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.629 -1.184 0.420 1.00 0.00 H new ATOM 515 N ALA A 33 11.887 -1.688 -2.121 1.00 0.00 N ATOM 516 CA ALA A 33 11.772 -2.660 -3.197 1.00 0.00 C ATOM 517 C ALA A 33 11.159 -2.068 -4.460 1.00 0.00 C ATOM 518 O ALA A 33 11.616 -2.352 -5.568 1.00 0.00 O ATOM 519 CB ALA A 33 10.936 -3.831 -2.734 1.00 0.00 C ATOM 0 H ALA A 33 11.239 -1.842 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 33 12.782 -2.985 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.850 -4.559 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.411 -4.299 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.942 -3.481 -2.455 1.00 0.00 H new ATOM 525 N LEU A 34 10.104 -1.273 -4.290 1.00 0.00 N ATOM 526 CA LEU A 34 9.404 -0.670 -5.427 1.00 0.00 C ATOM 527 C LEU A 34 10.366 -0.252 -6.547 1.00 0.00 C ATOM 528 O LEU A 34 11.454 0.264 -6.291 1.00 0.00 O ATOM 529 CB LEU A 34 8.551 0.521 -4.974 1.00 0.00 C ATOM 530 CG LEU A 34 7.216 0.143 -4.318 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.449 -0.568 -2.998 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.340 1.369 -4.107 1.00 0.00 C ATOM 0 H LEU A 34 9.715 -1.031 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 34 8.745 -1.436 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.130 1.118 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.349 1.155 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 34 6.695 -0.535 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.490 -0.827 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.026 -1.477 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.999 0.088 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.401 1.070 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.856 2.078 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.134 1.839 -5.069 1.00 0.00 H new ATOM 544 N PRO A 35 9.968 -0.499 -7.813 1.00 0.00 N ATOM 545 CA PRO A 35 10.775 -0.185 -9.002 1.00 0.00 C ATOM 546 C PRO A 35 11.353 1.227 -8.990 1.00 0.00 C ATOM 547 O PRO A 35 12.430 1.471 -9.534 1.00 0.00 O ATOM 548 CB PRO A 35 9.784 -0.344 -10.170 1.00 0.00 C ATOM 549 CG PRO A 35 8.439 -0.540 -9.544 1.00 0.00 C ATOM 550 CD PRO A 35 8.697 -1.127 -8.192 1.00 0.00 C ATOM 0 HA PRO A 35 11.646 -0.837 -9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.792 0.537 -10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.051 -1.196 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.904 0.406 -9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.821 -1.205 -10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.900 -0.889 -7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.776 -2.214 -8.229 1.00 0.00 H new ATOM 605 N THR A 40 7.212 4.150 -5.125 1.00 0.00 N ATOM 606 CA THR A 40 6.363 4.666 -6.193 1.00 0.00 C ATOM 607 C THR A 40 4.891 4.523 -5.833 1.00 0.00 C ATOM 608 O THR A 40 4.454 3.462 -5.388 1.00 0.00 O ATOM 609 CB THR A 40 6.602 3.941 -7.532 1.00 0.00 C ATOM 610 OG1 THR A 40 5.730 4.473 -8.536 1.00 0.00 O ATOM 611 CG2 THR A 40 6.365 2.444 -7.396 1.00 0.00 C ATOM 0 HA THR A 40 6.626 5.717 -6.307 1.00 0.00 H new ATOM 0 HB THR A 40 7.640 4.101 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.888 4.010 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.541 1.959 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.047 2.034 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.336 2.265 -7.083 1.00 0.00 H new ATOM 619 N THR A 41 4.124 5.587 -6.037 1.00 0.00 N ATOM 620 CA THR A 41 2.700 5.552 -5.741 1.00 0.00 C ATOM 621 C THR A 41 1.882 5.285 -6.995 1.00 0.00 C ATOM 622 O THR A 41 1.968 6.021 -7.977 1.00 0.00 O ATOM 623 CB THR A 41 2.213 6.861 -5.095 1.00 0.00 C ATOM 624 OG1 THR A 41 0.786 6.864 -5.003 1.00 0.00 O ATOM 625 CG2 THR A 41 2.678 8.066 -5.889 1.00 0.00 C ATOM 0 H THR A 41 4.462 6.477 -6.403 1.00 0.00 H new ATOM 0 HA THR A 41 2.555 4.737 -5.032 1.00 0.00 H new ATOM 0 HB THR A 41 2.640 6.922 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.458 5.941 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.320 8.977 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.767 8.079 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.282 8.009 -6.903 1.00 0.00 H new ATOM 633 N CYS A 42 1.080 4.230 -6.946 1.00 0.00 N ATOM 634 CA CYS A 42 0.229 3.861 -8.066 1.00 0.00 C ATOM 635 C CYS A 42 -0.920 4.857 -8.191 1.00 0.00 C ATOM 636 O CYS A 42 -2.086 4.509 -8.003 1.00 0.00 O ATOM 637 CB CYS A 42 -0.305 2.444 -7.867 1.00 0.00 C ATOM 638 SG CYS A 42 0.981 1.233 -7.477 1.00 0.00 S ATOM 0 H CYS A 42 1.002 3.613 -6.138 1.00 0.00 H new ATOM 0 HA CYS A 42 0.811 3.885 -8.987 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.041 2.452 -7.063 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.825 2.130 -8.772 1.00 0.00 H new ATOM 0 HG CYS A 42 1.843 1.187 -8.449 1.00 0.00 H new ATOM 644 N LYS A 43 -0.571 6.105 -8.486 1.00 0.00 N ATOM 645 CA LYS A 43 -1.554 7.174 -8.613 1.00 0.00 C ATOM 646 C LYS A 43 -2.332 7.070 -9.917 1.00 0.00 C ATOM 647 O LYS A 43 -1.812 6.612 -10.935 1.00 0.00 O ATOM 648 CB LYS A 43 -0.862 8.537 -8.533 1.00 0.00 C ATOM 649 CG LYS A 43 0.229 8.725 -9.575 1.00 0.00 C ATOM 650 CD LYS A 43 0.819 10.125 -9.526 1.00 0.00 C ATOM 651 CE LYS A 43 -0.206 11.177 -9.920 1.00 0.00 C ATOM 652 NZ LYS A 43 0.364 12.552 -9.873 1.00 0.00 N ATOM 0 H LYS A 43 0.392 6.402 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.260 7.072 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.608 9.322 -8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.430 8.658 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.019 7.992 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.180 8.537 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.185 10.331 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.677 10.183 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.571 10.969 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.064 11.117 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.305 13.220 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.533 12.824 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.263 12.573 -10.396 1.00 0.00 H new ATOM 712 N GLU A 48 -3.270 9.763 -5.530 1.00 0.00 N ATOM 713 CA GLU A 48 -2.012 9.045 -5.362 1.00 0.00 C ATOM 714 C GLU A 48 -2.031 8.236 -4.069 1.00 0.00 C ATOM 715 O GLU A 48 -2.407 8.745 -3.014 1.00 0.00 O ATOM 716 CB GLU A 48 -0.836 10.024 -5.329 1.00 0.00 C ATOM 717 CG GLU A 48 -0.915 11.115 -6.385 1.00 0.00 C ATOM 718 CD GLU A 48 0.264 12.068 -6.331 1.00 0.00 C ATOM 719 OE1 GLU A 48 1.149 11.873 -5.471 1.00 0.00 O ATOM 720 OE2 GLU A 48 0.302 13.010 -7.150 1.00 0.00 O ATOM 0 HA GLU A 48 -1.892 8.369 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.789 10.488 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.092 9.468 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.961 10.656 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.839 11.678 -6.251 1.00 0.00 H new ATOM 727 N LEU A 49 -1.618 6.976 -4.154 1.00 0.00 N ATOM 728 CA LEU A 49 -1.585 6.105 -2.985 1.00 0.00 C ATOM 729 C LEU A 49 -0.311 5.272 -2.951 1.00 0.00 C ATOM 730 O LEU A 49 0.101 4.698 -3.959 1.00 0.00 O ATOM 731 CB LEU A 49 -2.807 5.185 -2.958 1.00 0.00 C ATOM 732 CG LEU A 49 -4.124 5.859 -2.565 1.00 0.00 C ATOM 733 CD1 LEU A 49 -3.982 6.558 -1.220 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.572 6.838 -3.640 1.00 0.00 C ATOM 0 H LEU A 49 -1.302 6.536 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.603 6.744 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.927 4.738 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.613 4.370 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.890 5.089 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.927 7.032 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.716 5.827 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.201 7.316 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.510 7.305 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.810 7.606 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.717 6.305 -4.580 1.00 0.00 H new ATOM 746 N LYS A 50 0.306 5.213 -1.777 1.00 0.00 N ATOM 747 CA LYS A 50 1.535 4.457 -1.588 1.00 0.00 C ATOM 748 C LYS A 50 1.796 4.231 -0.102 1.00 0.00 C ATOM 749 O LYS A 50 0.902 4.409 0.726 1.00 0.00 O ATOM 750 CB LYS A 50 2.705 5.207 -2.227 1.00 0.00 C ATOM 751 CG LYS A 50 2.864 6.619 -1.696 1.00 0.00 C ATOM 752 CD LYS A 50 4.145 7.271 -2.186 1.00 0.00 C ATOM 753 CE LYS A 50 4.151 8.759 -1.881 1.00 0.00 C ATOM 754 NZ LYS A 50 3.113 9.488 -2.660 1.00 0.00 N ATOM 0 H LYS A 50 -0.029 5.684 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 50 1.432 3.484 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.626 4.652 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.559 5.245 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.010 7.221 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.862 6.599 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.003 6.796 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.248 7.116 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.980 8.912 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.133 9.173 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.566 10.228 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.615 8.821 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.432 9.925 -2.007 1.00 0.00 H new ATOM 768 N ALA A 51 3.018 3.840 0.232 1.00 0.00 N ATOM 769 CA ALA A 51 3.387 3.591 1.619 1.00 0.00 C ATOM 770 C ALA A 51 3.644 4.895 2.367 1.00 0.00 C ATOM 771 O ALA A 51 3.251 5.052 3.520 1.00 0.00 O ATOM 772 CB ALA A 51 4.603 2.689 1.681 1.00 0.00 C ATOM 0 H ALA A 51 3.771 3.688 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 51 2.552 3.090 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.870 2.509 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.377 1.740 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.438 3.168 1.170 1.00 0.00 H new ATOM 778 N SER A 52 4.309 5.833 1.714 1.00 0.00 N ATOM 779 CA SER A 52 4.603 7.112 2.342 1.00 0.00 C ATOM 780 C SER A 52 3.313 7.869 2.652 1.00 0.00 C ATOM 781 O SER A 52 3.146 8.405 3.747 1.00 0.00 O ATOM 782 CB SER A 52 5.518 7.945 1.443 1.00 0.00 C ATOM 783 OG SER A 52 5.750 9.229 1.998 1.00 0.00 O ATOM 0 H SER A 52 4.653 5.736 0.759 1.00 0.00 H new ATOM 0 HA SER A 52 5.120 6.926 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.468 7.428 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.067 8.048 0.456 1.00 0.00 H new ATOM 0 HG SER A 52 6.339 9.740 1.405 1.00 0.00 H new ATOM 789 N ASP A 53 2.399 7.902 1.685 1.00 0.00 N ATOM 790 CA ASP A 53 1.120 8.585 1.859 1.00 0.00 C ATOM 791 C ASP A 53 0.202 7.814 2.806 1.00 0.00 C ATOM 792 O ASP A 53 -0.331 8.374 3.761 1.00 0.00 O ATOM 793 CB ASP A 53 0.422 8.759 0.507 1.00 0.00 C ATOM 794 CG ASP A 53 -0.886 9.516 0.623 1.00 0.00 C ATOM 795 OD1 ASP A 53 -1.787 9.037 1.345 1.00 0.00 O ATOM 796 OD2 ASP A 53 -1.011 10.587 -0.006 1.00 0.00 O ATOM 0 H ASP A 53 2.521 7.463 0.772 1.00 0.00 H new ATOM 0 HA ASP A 53 1.326 9.563 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.086 9.290 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.233 7.778 0.070 1.00 0.00 H new ATOM 801 N ALA A 54 -0.001 6.533 2.518 1.00 0.00 N ATOM 802 CA ALA A 54 -0.880 5.695 3.328 1.00 0.00 C ATOM 803 C ALA A 54 -0.117 4.881 4.374 1.00 0.00 C ATOM 804 O ALA A 54 -0.500 4.842 5.542 1.00 0.00 O ATOM 805 CB ALA A 54 -1.681 4.772 2.428 1.00 0.00 C ATOM 0 H ALA A 54 0.431 6.051 1.729 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.552 6.359 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.336 4.148 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.282 5.366 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.001 4.137 1.860 1.00 0.00 H new ATOM 811 N GLY A 55 0.952 4.218 3.942 1.00 0.00 N ATOM 812 CA GLY A 55 1.746 3.393 4.845 1.00 0.00 C ATOM 813 C GLY A 55 2.041 4.057 6.180 1.00 0.00 C ATOM 814 O GLY A 55 2.218 3.372 7.187 1.00 0.00 O ATOM 0 H GLY A 55 1.286 4.236 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.219 2.456 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.688 3.141 4.359 1.00 0.00 H new ATOM 818 N GLN A 56 2.099 5.388 6.193 1.00 0.00 N ATOM 819 CA GLN A 56 2.379 6.132 7.425 1.00 0.00 C ATOM 820 C GLN A 56 1.591 5.577 8.606 1.00 0.00 C ATOM 821 O GLN A 56 2.047 5.618 9.749 1.00 0.00 O ATOM 822 CB GLN A 56 2.041 7.614 7.255 1.00 0.00 C ATOM 823 CG GLN A 56 0.684 7.874 6.623 1.00 0.00 C ATOM 824 CD GLN A 56 0.267 9.329 6.737 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.072 9.844 7.839 1.00 0.00 O ATOM 826 NE2 GLN A 56 0.138 10.004 5.602 1.00 0.00 N ATOM 0 H GLN A 56 1.957 5.973 5.370 1.00 0.00 H new ATOM 0 HA GLN A 56 3.444 6.020 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.073 8.097 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.811 8.083 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.714 7.588 5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.065 7.245 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.309 9.539 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.132 10.987 5.621 1.00 0.00 H new ATOM 835 N VAL A 57 0.401 5.077 8.318 1.00 0.00 N ATOM 836 CA VAL A 57 -0.472 4.528 9.342 1.00 0.00 C ATOM 837 C VAL A 57 0.119 3.273 9.981 1.00 0.00 C ATOM 838 O VAL A 57 -0.080 3.022 11.170 1.00 0.00 O ATOM 839 CB VAL A 57 -1.856 4.218 8.747 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.463 5.493 8.178 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.750 3.146 7.674 1.00 0.00 C ATOM 0 H VAL A 57 0.015 5.040 7.375 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.574 5.279 10.125 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.506 3.838 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.444 5.272 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.567 6.232 8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.813 5.888 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.740 2.941 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.093 3.493 6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.341 2.234 8.110 1.00 0.00 H new ATOM 851 N LEU A 58 0.854 2.492 9.195 1.00 0.00 N ATOM 852 CA LEU A 58 1.477 1.272 9.704 1.00 0.00 C ATOM 853 C LEU A 58 2.620 1.615 10.660 1.00 0.00 C ATOM 854 O LEU A 58 3.539 2.350 10.299 1.00 0.00 O ATOM 855 CB LEU A 58 2.004 0.422 8.544 1.00 0.00 C ATOM 856 CG LEU A 58 1.014 0.219 7.394 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.654 -0.577 6.265 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.246 -0.471 7.895 1.00 0.00 C ATOM 0 H LEU A 58 1.033 2.679 8.208 1.00 0.00 H new ATOM 0 HA LEU A 58 0.724 0.701 10.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.906 0.890 8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.295 -0.555 8.931 1.00 0.00 H new ATOM 0 HG LEU A 58 0.737 1.197 7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.933 -0.709 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.524 -0.039 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.964 -1.553 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.940 -0.608 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.014 -1.443 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.716 0.143 8.664 1.00 0.00 H new ATOM 870 N THR A 59 2.556 1.087 11.880 1.00 0.00 N ATOM 871 CA THR A 59 3.589 1.352 12.879 1.00 0.00 C ATOM 872 C THR A 59 4.815 0.466 12.667 1.00 0.00 C ATOM 873 O THR A 59 4.884 -0.298 11.704 1.00 0.00 O ATOM 874 CB THR A 59 3.057 1.152 14.312 1.00 0.00 C ATOM 875 OG1 THR A 59 2.637 -0.203 14.500 1.00 0.00 O ATOM 876 CG2 THR A 59 1.892 2.090 14.591 1.00 0.00 C ATOM 0 H THR A 59 1.804 0.476 12.200 1.00 0.00 H new ATOM 0 HA THR A 59 3.881 2.395 12.754 1.00 0.00 H new ATOM 0 HB THR A 59 3.865 1.379 15.008 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.380 -0.589 13.636 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.533 1.931 15.608 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.222 3.123 14.480 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.086 1.889 13.886 1.00 0.00 H new ATOM 884 N ALA A 60 5.784 0.580 13.574 1.00 0.00 N ATOM 885 CA ALA A 60 7.016 -0.200 13.491 1.00 0.00 C ATOM 886 C ALA A 60 6.759 -1.688 13.719 1.00 0.00 C ATOM 887 O ALA A 60 7.295 -2.535 13.008 1.00 0.00 O ATOM 888 CB ALA A 60 8.033 0.318 14.495 1.00 0.00 C ATOM 0 H ALA A 60 5.738 1.207 14.377 1.00 0.00 H new ATOM 0 HA ALA A 60 7.415 -0.084 12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.947 -0.271 14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.257 1.363 14.280 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.625 0.234 15.502 1.00 0.00 H new ATOM 894 N ASP A 61 5.942 -2.002 14.718 1.00 0.00 N ATOM 895 CA ASP A 61 5.621 -3.379 15.042 1.00 0.00 C ATOM 896 C ASP A 61 5.107 -4.137 13.818 1.00 0.00 C ATOM 897 O ASP A 61 5.188 -5.364 13.757 1.00 0.00 O ATOM 898 CB ASP A 61 4.579 -3.406 16.155 1.00 0.00 C ATOM 899 CG ASP A 61 3.277 -2.743 15.749 1.00 0.00 C ATOM 900 OD1 ASP A 61 2.656 -3.204 14.770 1.00 0.00 O ATOM 901 OD2 ASP A 61 2.880 -1.762 16.413 1.00 0.00 O ATOM 0 H ASP A 61 5.489 -1.313 15.319 1.00 0.00 H new ATOM 0 HA ASP A 61 6.531 -3.876 15.377 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.383 -4.440 16.440 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.980 -2.903 17.035 1.00 0.00 H new ATOM 906 N ASP A 62 4.570 -3.400 12.850 1.00 0.00 N ATOM 907 CA ASP A 62 4.030 -3.996 11.632 1.00 0.00 C ATOM 908 C ASP A 62 5.118 -4.548 10.710 1.00 0.00 C ATOM 909 O ASP A 62 4.811 -5.011 9.612 1.00 0.00 O ATOM 910 CB ASP A 62 3.209 -2.967 10.860 1.00 0.00 C ATOM 911 CG ASP A 62 2.074 -2.392 11.682 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.353 -1.803 12.744 1.00 0.00 O ATOM 913 OD2 ASP A 62 0.907 -2.530 11.262 1.00 0.00 O ATOM 0 H ASP A 62 4.497 -2.383 12.886 1.00 0.00 H new ATOM 0 HA ASP A 62 3.403 -4.829 11.949 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.862 -2.158 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.803 -3.432 9.962 1.00 0.00 H new ATOM 918 N PHE A 63 6.383 -4.489 11.131 1.00 0.00 N ATOM 919 CA PHE A 63 7.476 -4.982 10.292 1.00 0.00 C ATOM 920 C PHE A 63 7.117 -6.306 9.623 1.00 0.00 C ATOM 921 O PHE A 63 7.002 -6.369 8.402 1.00 0.00 O ATOM 922 CB PHE A 63 8.764 -5.138 11.106 1.00 0.00 C ATOM 923 CG PHE A 63 9.768 -4.049 10.858 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.394 -2.719 10.950 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.080 -4.353 10.532 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.309 -1.711 10.721 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.000 -3.348 10.303 1.00 0.00 C ATOM 928 CZ PHE A 63 11.639 -2.047 10.402 1.00 0.00 C ATOM 0 H PHE A 63 6.673 -4.111 12.033 1.00 0.00 H new ATOM 0 HA PHE A 63 7.642 -4.240 9.511 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.514 -5.155 12.167 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.219 -6.100 10.870 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.375 -2.467 11.204 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.386 -5.386 10.456 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.008 -0.676 10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.017 -3.603 10.043 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.369 -1.269 10.237 1.00 0.00 H new ATOM 938 N PRO A 64 6.915 -7.377 10.408 1.00 0.00 N ATOM 939 CA PRO A 64 6.551 -8.690 9.868 1.00 0.00 C ATOM 940 C PRO A 64 5.124 -8.710 9.332 1.00 0.00 C ATOM 941 O PRO A 64 4.218 -9.254 9.962 1.00 0.00 O ATOM 942 CB PRO A 64 6.696 -9.622 11.071 1.00 0.00 C ATOM 943 CG PRO A 64 6.465 -8.746 12.253 1.00 0.00 C ATOM 944 CD PRO A 64 7.009 -7.392 11.881 1.00 0.00 C ATOM 0 HA PRO A 64 7.175 -8.977 9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.971 -10.435 11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.686 -10.078 11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.403 -8.687 12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.970 -9.140 13.135 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.425 -6.588 12.329 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.038 -7.266 12.219 1.00 0.00 H new ATOM 952 N PHE A 65 4.935 -8.099 8.169 1.00 0.00 N ATOM 953 CA PHE A 65 3.623 -8.025 7.541 1.00 0.00 C ATOM 954 C PHE A 65 3.237 -9.343 6.876 1.00 0.00 C ATOM 955 O PHE A 65 4.072 -10.018 6.273 1.00 0.00 O ATOM 956 CB PHE A 65 3.604 -6.910 6.497 1.00 0.00 C ATOM 957 CG PHE A 65 2.736 -5.744 6.871 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.369 -5.824 6.705 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.278 -4.578 7.384 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.549 -4.769 7.038 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.463 -3.514 7.721 1.00 0.00 C ATOM 962 CZ PHE A 65 1.095 -3.610 7.548 1.00 0.00 C ATOM 0 H PHE A 65 5.679 -7.645 7.639 1.00 0.00 H new ATOM 0 HA PHE A 65 2.897 -7.814 8.327 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.623 -6.556 6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.257 -7.319 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.935 -6.729 6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.346 -4.499 7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.519 -4.849 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.895 -2.608 8.119 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.456 -2.780 7.811 1.00 0.00 H new ATOM 972 N LYS A 66 1.959 -9.691 6.987 1.00 0.00 N ATOM 973 CA LYS A 66 1.434 -10.916 6.395 1.00 0.00 C ATOM 974 C LYS A 66 1.467 -10.839 4.871 1.00 0.00 C ATOM 975 O LYS A 66 0.425 -10.738 4.210 1.00 0.00 O ATOM 976 CB LYS A 66 0.007 -11.179 6.869 1.00 0.00 C ATOM 977 CG LYS A 66 -0.523 -12.545 6.464 1.00 0.00 C ATOM 978 CD LYS A 66 -1.955 -12.755 6.933 1.00 0.00 C ATOM 979 CE LYS A 66 -2.060 -12.710 8.450 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.195 -13.736 9.097 1.00 0.00 N ATOM 0 H LYS A 66 1.263 -9.137 7.486 1.00 0.00 H new ATOM 0 HA LYS A 66 2.069 -11.741 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.029 -11.091 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.650 -10.409 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.477 -12.646 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.115 -13.322 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.596 -11.987 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.320 -13.716 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.775 -11.719 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.097 -12.869 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.453 -13.825 10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.328 -14.652 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.199 -13.448 9.021 1.00 0.00 H new ATOM 994 N SER A 67 2.669 -10.885 4.323 1.00 0.00 N ATOM 995 CA SER A 67 2.861 -10.831 2.884 1.00 0.00 C ATOM 996 C SER A 67 2.271 -9.565 2.272 1.00 0.00 C ATOM 997 O SER A 67 1.447 -8.883 2.883 1.00 0.00 O ATOM 998 CB SER A 67 2.258 -12.071 2.223 1.00 0.00 C ATOM 999 OG SER A 67 2.847 -13.256 2.731 1.00 0.00 O ATOM 0 H SER A 67 3.534 -10.960 4.859 1.00 0.00 H new ATOM 0 HA SER A 67 3.935 -10.810 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.182 -12.093 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.406 -12.021 1.144 1.00 0.00 H new ATOM 0 HG SER A 67 2.444 -14.035 2.294 1.00 0.00 H new ATOM 1005 N ALA A 68 2.712 -9.261 1.054 1.00 0.00 N ATOM 1006 CA ALA A 68 2.255 -8.082 0.326 1.00 0.00 C ATOM 1007 C ALA A 68 0.735 -8.009 0.272 1.00 0.00 C ATOM 1008 O ALA A 68 0.159 -6.921 0.238 1.00 0.00 O ATOM 1009 CB ALA A 68 2.836 -8.085 -1.079 1.00 0.00 C ATOM 0 H ALA A 68 3.394 -9.824 0.546 1.00 0.00 H new ATOM 0 HA ALA A 68 2.606 -7.199 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.491 -7.202 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.924 -8.073 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.510 -8.982 -1.606 1.00 0.00 H new ATOM 1015 N GLU A 69 0.091 -9.165 0.255 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.363 -9.221 0.195 1.00 0.00 C ATOM 1017 C GLU A 69 -2.004 -8.443 1.345 1.00 0.00 C ATOM 1018 O GLU A 69 -2.917 -7.643 1.117 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.842 -10.670 0.211 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.338 -11.456 1.396 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.729 -12.920 1.340 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.944 -13.209 1.313 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.821 -13.777 1.326 1.00 0.00 O ATOM 0 H GLU A 69 0.550 -10.076 0.282 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.672 -8.753 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.932 -10.684 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.518 -11.162 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.252 -11.376 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.730 -11.015 2.312 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.544 -8.667 2.581 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.127 -7.958 3.710 1.00 0.00 C ATOM 1032 C GLU A 70 -1.695 -6.500 3.719 1.00 0.00 C ATOM 1033 O GLU A 70 -2.475 -5.619 4.058 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.812 -8.650 5.047 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.668 -8.031 5.832 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.780 -8.294 7.323 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.753 -8.958 7.740 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.105 -7.833 8.074 1.00 0.00 O ATOM 0 H GLU A 70 -0.792 -9.315 2.815 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.210 -7.984 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.708 -8.636 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.576 -9.696 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.278 -8.430 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.650 -6.955 5.656 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.455 -6.251 3.338 1.00 0.00 N ATOM 1046 CA VAL A 71 0.064 -4.891 3.294 1.00 0.00 C ATOM 1047 C VAL A 71 -0.728 -4.041 2.311 1.00 0.00 C ATOM 1048 O VAL A 71 -0.926 -2.848 2.526 1.00 0.00 O ATOM 1049 CB VAL A 71 1.548 -4.887 2.912 1.00 0.00 C ATOM 1050 CG1 VAL A 71 2.106 -3.468 2.899 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.318 -5.770 3.876 1.00 0.00 C ATOM 0 H VAL A 71 0.212 -6.969 3.055 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.042 -4.462 4.290 1.00 0.00 H new ATOM 0 HB VAL A 71 1.657 -5.285 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.161 -3.494 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.557 -2.868 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.000 -3.026 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.374 -5.769 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.202 -5.389 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.932 -6.788 3.825 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.181 -4.663 1.231 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.953 -3.957 0.220 1.00 0.00 C ATOM 1063 C ALA A 72 -3.330 -3.558 0.749 1.00 0.00 C ATOM 1064 O ALA A 72 -3.684 -2.378 0.760 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.095 -4.815 -1.027 1.00 0.00 C ATOM 0 H ALA A 72 -1.027 -5.652 1.034 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.416 -3.044 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.675 -4.275 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.107 -5.042 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.606 -5.744 -0.773 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.106 -4.550 1.182 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.451 -4.305 1.704 1.00 0.00 C ATOM 1073 C ASP A 73 -5.414 -3.466 2.980 1.00 0.00 C ATOM 1074 O ASP A 73 -6.227 -2.560 3.167 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.158 -5.634 1.981 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.320 -6.478 0.730 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.881 -6.028 -0.349 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -6.885 -7.588 0.830 1.00 0.00 O ATOM 0 H ASP A 73 -3.827 -5.531 1.182 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.003 -3.747 0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.591 -6.196 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.140 -5.437 2.412 1.00 0.00 H new ATOM 1083 N THR A 74 -4.473 -3.785 3.855 1.00 0.00 N ATOM 1084 CA THR A 74 -4.317 -3.083 5.124 1.00 0.00 C ATOM 1085 C THR A 74 -4.151 -1.578 4.919 1.00 0.00 C ATOM 1086 O THR A 74 -4.804 -0.775 5.589 1.00 0.00 O ATOM 1087 CB THR A 74 -3.102 -3.633 5.900 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.335 -4.996 6.271 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.813 -2.810 7.149 1.00 0.00 C ATOM 0 H THR A 74 -3.797 -4.535 3.708 1.00 0.00 H new ATOM 0 HA THR A 74 -5.226 -3.253 5.701 1.00 0.00 H new ATOM 0 HB THR A 74 -2.235 -3.570 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.258 -5.568 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.951 -3.228 7.669 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.601 -1.779 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.680 -2.833 7.809 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.267 -1.201 4.004 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.008 0.207 3.729 1.00 0.00 C ATOM 1099 C ILE A 75 -4.249 0.920 3.187 1.00 0.00 C ATOM 1100 O ILE A 75 -4.640 1.965 3.704 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.826 0.367 2.749 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.539 -0.138 3.404 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.663 1.817 2.319 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.663 -0.118 2.484 1.00 0.00 C ATOM 0 H ILE A 75 -2.718 -1.850 3.440 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.744 0.676 4.677 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.035 -0.226 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.324 0.473 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.698 -1.157 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.823 1.900 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.574 2.154 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.475 2.437 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.537 -0.490 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.470 -0.753 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.849 0.903 2.151 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.870 0.360 2.150 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.065 0.974 1.567 1.00 0.00 C ATOM 1118 C VAL A 76 -7.142 1.227 2.617 1.00 0.00 C ATOM 1119 O VAL A 76 -7.768 2.287 2.631 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.676 0.128 0.425 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.943 0.381 -0.881 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.663 -1.355 0.766 1.00 0.00 C ATOM 0 H VAL A 76 -4.572 -0.506 1.700 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.727 1.924 1.154 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.715 0.434 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.388 -0.224 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.021 1.436 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.893 0.112 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.099 -1.921 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.636 -1.682 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.245 -1.525 1.672 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.362 0.251 3.490 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.373 0.377 4.534 1.00 0.00 C ATOM 1134 C ASN A 77 -8.114 1.598 5.416 1.00 0.00 C ATOM 1135 O ASN A 77 -9.017 2.397 5.666 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.406 -0.889 5.397 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.791 -2.147 4.625 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.786 -3.244 5.183 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -9.136 -2.005 3.346 1.00 0.00 N ATOM 0 H ASN A 77 -6.856 -0.634 3.496 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.339 0.507 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.425 -1.036 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.114 -0.743 6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.407 -2.821 2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.129 -1.080 2.915 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.880 1.730 5.889 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.503 2.845 6.750 1.00 0.00 C ATOM 1148 C LYS A 78 -6.389 4.152 5.969 1.00 0.00 C ATOM 1149 O LYS A 78 -6.790 5.211 6.453 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.172 2.540 7.433 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.207 1.296 8.304 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.847 1.002 8.917 1.00 0.00 C ATOM 1153 CE LYS A 78 -3.892 -0.225 9.813 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.848 -0.054 10.943 1.00 0.00 N ATOM 0 H LYS A 78 -6.122 1.077 5.690 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.288 2.969 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.402 2.419 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.883 3.394 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.943 1.427 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.530 0.443 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.115 0.848 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.514 1.864 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.180 -1.095 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.895 -0.423 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.682 -0.795 11.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.708 0.880 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.823 -0.128 10.587 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.812 4.076 4.775 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.615 5.262 3.945 1.00 0.00 C ATOM 1170 C ALA A 79 -6.929 5.856 3.442 1.00 0.00 C ATOM 1171 O ALA A 79 -7.022 7.065 3.234 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.713 4.931 2.767 1.00 0.00 C ATOM 0 H ALA A 79 -5.473 3.208 4.360 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.142 6.015 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.573 5.822 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.746 4.587 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.173 4.146 2.166 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.943 5.018 3.244 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.216 5.528 2.766 1.00 0.00 C ATOM 1180 C GLY A 80 -10.030 4.501 2.013 1.00 0.00 C ATOM 1181 O GLY A 80 -11.189 4.246 2.339 1.00 0.00 O ATOM 0 H GLY A 80 -7.908 4.011 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.796 5.889 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.035 6.384 2.117 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.420 3.935 0.987 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.074 2.949 0.142 1.00 0.00 C ATOM 1187 C LEU A 81 -10.458 1.705 0.937 1.00 0.00 C ATOM 1188 O LEU A 81 -11.671 1.427 1.048 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.143 2.583 -1.009 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.531 3.782 -1.736 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.378 3.334 -2.625 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.587 4.499 -2.564 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.545 1.019 1.440 1.00 0.00 O ATOM 0 H LEU A 81 -8.459 4.145 0.716 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.994 3.379 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.337 1.958 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.696 1.981 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.145 4.476 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.954 4.199 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.610 2.861 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.744 2.621 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.134 5.349 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.000 3.811 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.385 4.851 -1.910 1.00 0.00 H new