USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 767 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 63 LYS NZ :NH3+ -171:sc= 0.376 (180deg=-0.257) USER MOD Set 1.2: A 67 GLN : amide:sc= 0.421 K(o=0.8,f=-3.6) USER MOD Set 2.1: A 9 THR OG1 : rot -75:sc= 1.79 USER MOD Set 2.2: A 46 HIS : no HE2:sc= 1.03 K(o=2.8,f=-5.6!) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0228) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 15 GLN : amide:sc= -1.1! C(o=-1.1!,f=-4.6!) USER MOD Single : A 18 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0659) USER MOD Single : A 31 SER OG : rot 180:sc= -0.229 USER MOD Single : A 34 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.2) USER MOD Single : A 44 GLN : amide:sc= -0.0577 K(o=-0.058,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.586 (180deg=-0.0163) USER MOD Single : A 48 GLN : amide:sc= -0.413 K(o=-0.41,f=-0.95) USER MOD Single : A 64 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.86) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 73 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.64) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -44:sc= 0.421 USER MOD Single : A 89 GLN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.5) USER MOD Single : A 99 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.66) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -4.396 -5.700 -7.598 1.00 0.00 N ATOM 65 CA LYS A 5 -4.594 -4.610 -8.538 1.00 0.00 C ATOM 66 C LYS A 5 -4.544 -5.127 -9.969 1.00 0.00 C ATOM 67 O LYS A 5 -5.381 -4.771 -10.789 1.00 0.00 O ATOM 68 CB LYS A 5 -3.555 -3.508 -8.327 1.00 0.00 C ATOM 69 CG LYS A 5 -3.729 -2.734 -7.029 1.00 0.00 C ATOM 70 CD LYS A 5 -2.715 -1.606 -6.918 1.00 0.00 C ATOM 71 CE LYS A 5 -2.994 -0.713 -5.716 1.00 0.00 C ATOM 72 NZ LYS A 5 -2.875 -1.446 -4.430 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.580 -4.181 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.560 -3.953 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.605 -2.811 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.738 -2.325 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.618 -3.411 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.712 -2.025 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.736 -1.007 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.298 0.125 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.997 -0.295 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.007 -0.783 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.602 -2.188 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.933 -1.881 -4.364 1.00 0.00 H new ATOM 86 N LEU A 6 -3.527 -5.939 -10.272 1.00 0.00 N ATOM 87 CA LEU A 6 -3.434 -6.592 -11.588 1.00 0.00 C ATOM 88 C LEU A 6 -4.762 -7.241 -11.988 1.00 0.00 C ATOM 89 O LEU A 6 -5.216 -7.075 -13.120 1.00 0.00 O ATOM 90 CB LEU A 6 -2.321 -7.648 -11.590 1.00 0.00 C ATOM 91 CG LEU A 6 -0.893 -7.122 -11.412 1.00 0.00 C ATOM 92 CD1 LEU A 6 0.097 -8.275 -11.354 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.530 -6.173 -12.543 1.00 0.00 C ATOM 0 H LEU A 6 -2.763 -6.160 -9.634 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.197 -5.819 -12.319 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.525 -8.363 -10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.370 -8.196 -12.531 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.845 -6.575 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.106 -7.882 -11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.148 -8.923 -10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.044 -8.847 -12.280 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.488 -5.809 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.597 -6.699 -13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.220 -5.329 -12.546 1.00 0.00 H new ATOM 105 N ARG A 7 -5.386 -7.954 -11.063 1.00 0.00 N ATOM 106 CA ARG A 7 -6.687 -8.565 -11.329 1.00 0.00 C ATOM 107 C ARG A 7 -7.777 -7.502 -11.508 1.00 0.00 C ATOM 108 O ARG A 7 -8.570 -7.567 -12.447 1.00 0.00 O ATOM 109 CB ARG A 7 -7.071 -9.532 -10.209 1.00 0.00 C ATOM 110 CG ARG A 7 -6.280 -10.829 -10.205 1.00 0.00 C ATOM 111 CD ARG A 7 -6.622 -11.679 -8.994 1.00 0.00 C ATOM 112 NE ARG A 7 -5.981 -12.996 -9.045 1.00 0.00 N ATOM 113 CZ ARG A 7 -5.331 -13.564 -8.026 1.00 0.00 C ATOM 114 NH1 ARG A 7 -5.235 -12.937 -6.857 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -4.789 -14.764 -8.176 1.00 0.00 N ATOM 0 H ARG A 7 -5.019 -8.125 -10.127 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.603 -9.124 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.932 -9.033 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.132 -9.767 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.490 -11.389 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.213 -10.607 -10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.310 -11.160 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.703 -11.805 -8.934 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.035 -13.516 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.659 -12.017 -6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.737 -13.376 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.869 -15.252 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.292 -15.200 -7.399 1.00 0.00 H new ATOM 129 N GLN A 8 -7.780 -6.503 -10.629 1.00 0.00 N ATOM 130 CA GLN A 8 -8.786 -5.435 -10.660 1.00 0.00 C ATOM 131 C GLN A 8 -8.692 -4.598 -11.933 1.00 0.00 C ATOM 132 O GLN A 8 -9.697 -4.079 -12.415 1.00 0.00 O ATOM 133 CB GLN A 8 -8.650 -4.533 -9.433 1.00 0.00 C ATOM 134 CG GLN A 8 -8.972 -5.228 -8.123 1.00 0.00 C ATOM 135 CD GLN A 8 -8.742 -4.341 -6.918 1.00 0.00 C ATOM 136 OE1 GLN A 8 -7.877 -3.464 -6.928 1.00 0.00 O ATOM 137 NE2 GLN A 8 -9.506 -4.568 -5.873 1.00 0.00 N ATOM 0 H GLN A 8 -7.094 -6.407 -9.880 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.764 -5.915 -10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.631 -4.148 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.311 -3.674 -9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.012 -5.554 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.358 -6.124 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.211 -5.305 -5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.394 -4.008 -5.028 1.00 0.00 H new ATOM 146 N THR A 9 -7.494 -4.477 -12.484 1.00 0.00 N ATOM 147 CA THR A 9 -7.299 -3.714 -13.702 1.00 0.00 C ATOM 148 C THR A 9 -7.629 -4.573 -14.912 1.00 0.00 C ATOM 149 O THR A 9 -7.877 -4.067 -16.008 1.00 0.00 O ATOM 150 CB THR A 9 -5.855 -3.180 -13.810 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.922 -4.232 -13.516 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.633 -2.021 -12.850 1.00 0.00 C ATOM 0 H THR A 9 -6.645 -4.897 -12.106 1.00 0.00 H new ATOM 0 HA THR A 9 -7.971 -2.856 -13.672 1.00 0.00 H new ATOM 0 HB THR A 9 -5.697 -2.824 -14.828 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.903 -4.392 -12.549 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.608 -1.662 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.324 -1.213 -13.089 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.807 -2.357 -11.828 1.00 0.00 H new ATOM 160 N GLY A 10 -7.655 -5.880 -14.692 1.00 0.00 N ATOM 161 CA GLY A 10 -8.006 -6.797 -15.740 1.00 0.00 C ATOM 162 C GLY A 10 -9.499 -6.844 -15.899 1.00 0.00 C ATOM 163 O GLY A 10 -10.015 -6.864 -17.013 1.00 0.00 O ATOM 0 H GLY A 10 -7.436 -6.317 -13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.541 -6.488 -16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.625 -7.791 -15.508 1.00 0.00 H new ATOM 167 N ASP A 11 -10.196 -6.850 -14.765 1.00 0.00 N ATOM 168 CA ASP A 11 -11.655 -6.821 -14.748 1.00 0.00 C ATOM 169 C ASP A 11 -12.176 -5.592 -15.467 1.00 0.00 C ATOM 170 O ASP A 11 -13.162 -5.664 -16.201 1.00 0.00 O ATOM 171 CB ASP A 11 -12.191 -6.850 -13.315 1.00 0.00 C ATOM 172 CG ASP A 11 -12.211 -8.241 -12.726 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.888 -9.124 -13.304 1.00 0.00 O ATOM 174 OD2 ASP A 11 -11.578 -8.457 -11.675 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.769 -6.875 -13.839 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.008 -7.712 -15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.576 -6.204 -12.689 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.201 -6.440 -13.301 1.00 0.00 H new ATOM 179 N GLU A 12 -11.513 -4.461 -15.256 1.00 0.00 N ATOM 180 CA GLU A 12 -11.889 -3.220 -15.918 1.00 0.00 C ATOM 181 C GLU A 12 -11.719 -3.351 -17.422 1.00 0.00 C ATOM 182 O GLU A 12 -12.611 -2.991 -18.191 1.00 0.00 O ATOM 183 CB GLU A 12 -11.046 -2.053 -15.398 1.00 0.00 C ATOM 184 CG GLU A 12 -11.224 -1.780 -13.916 1.00 0.00 C ATOM 185 CD GLU A 12 -12.650 -1.429 -13.556 1.00 0.00 C ATOM 186 OE1 GLU A 12 -12.981 -0.227 -13.530 1.00 0.00 O ATOM 187 OE2 GLU A 12 -13.449 -2.351 -13.297 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.711 -4.379 -14.631 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.937 -3.019 -15.695 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.994 -2.261 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.304 -1.153 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.916 -2.658 -13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.567 -0.963 -13.619 1.00 0.00 H new ATOM 194 N LEU A 13 -10.572 -3.884 -17.833 1.00 0.00 N ATOM 195 CA LEU A 13 -10.275 -4.084 -19.243 1.00 0.00 C ATOM 196 C LEU A 13 -11.285 -5.036 -19.888 1.00 0.00 C ATOM 197 O LEU A 13 -11.752 -4.786 -20.990 1.00 0.00 O ATOM 198 CB LEU A 13 -8.844 -4.616 -19.409 1.00 0.00 C ATOM 199 CG LEU A 13 -8.343 -4.785 -20.848 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.397 -3.462 -21.597 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.925 -5.335 -20.853 1.00 0.00 C ATOM 0 H LEU A 13 -9.830 -4.186 -17.202 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.353 -3.123 -19.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.166 -3.940 -18.888 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.778 -5.582 -18.909 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.997 -5.494 -21.356 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.037 -3.606 -22.616 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.425 -3.100 -21.623 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.768 -2.731 -21.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.583 -5.450 -21.882 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.265 -4.646 -20.326 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.909 -6.305 -20.355 1.00 0.00 H new ATOM 213 N VAL A 14 -11.627 -6.117 -19.189 1.00 0.00 N ATOM 214 CA VAL A 14 -12.622 -7.069 -19.692 1.00 0.00 C ATOM 215 C VAL A 14 -13.987 -6.393 -19.839 1.00 0.00 C ATOM 216 O VAL A 14 -14.655 -6.540 -20.857 1.00 0.00 O ATOM 217 CB VAL A 14 -12.756 -8.309 -18.767 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.899 -9.212 -19.227 1.00 0.00 C ATOM 219 CG2 VAL A 14 -11.449 -9.089 -18.730 1.00 0.00 C ATOM 0 H VAL A 14 -11.234 -6.357 -18.279 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.275 -7.408 -20.668 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.983 -7.957 -17.761 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.972 -10.073 -18.563 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.835 -8.655 -19.203 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.706 -9.553 -20.244 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.560 -9.955 -18.077 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.196 -9.423 -19.736 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.653 -8.448 -18.350 1.00 0.00 H new ATOM 229 N GLN A 15 -14.383 -5.653 -18.812 1.00 0.00 N ATOM 230 CA GLN A 15 -15.639 -4.930 -18.821 1.00 0.00 C ATOM 231 C GLN A 15 -15.692 -3.955 -20.005 1.00 0.00 C ATOM 232 O GLN A 15 -16.692 -3.890 -20.718 1.00 0.00 O ATOM 233 CB GLN A 15 -15.806 -4.201 -17.485 1.00 0.00 C ATOM 234 CG GLN A 15 -17.169 -3.570 -17.263 1.00 0.00 C ATOM 235 CD GLN A 15 -17.318 -2.191 -17.893 1.00 0.00 C ATOM 236 OE1 GLN A 15 -18.410 -1.803 -18.308 1.00 0.00 O ATOM 237 NE2 GLN A 15 -16.232 -1.440 -17.952 1.00 0.00 N ATOM 0 H GLN A 15 -13.842 -5.540 -17.955 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.465 -5.630 -18.944 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.613 -4.907 -16.677 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.046 -3.422 -17.416 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -17.935 -4.230 -17.670 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.352 -3.491 -16.191 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.345 -1.797 -17.597 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.281 -0.503 -18.352 1.00 0.00 H new ATOM 246 N ALA A 16 -14.608 -3.221 -20.218 1.00 0.00 N ATOM 247 CA ALA A 16 -14.524 -2.283 -21.335 1.00 0.00 C ATOM 248 C ALA A 16 -14.508 -3.034 -22.665 1.00 0.00 C ATOM 249 O ALA A 16 -15.079 -2.582 -23.651 1.00 0.00 O ATOM 250 CB ALA A 16 -13.291 -1.406 -21.200 1.00 0.00 C ATOM 0 H ALA A 16 -13.773 -3.255 -19.633 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.405 -1.642 -21.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.244 -0.713 -22.040 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.345 -0.843 -20.268 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.398 -2.032 -21.195 1.00 0.00 H new ATOM 256 N PHE A 17 -13.854 -4.186 -22.670 1.00 0.00 N ATOM 257 CA PHE A 17 -13.779 -5.041 -23.849 1.00 0.00 C ATOM 258 C PHE A 17 -15.172 -5.556 -24.214 1.00 0.00 C ATOM 259 O PHE A 17 -15.526 -5.659 -25.389 1.00 0.00 O ATOM 260 CB PHE A 17 -12.823 -6.208 -23.595 1.00 0.00 C ATOM 261 CG PHE A 17 -12.611 -7.100 -24.781 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.778 -6.711 -25.816 1.00 0.00 C ATOM 263 CD2 PHE A 17 -13.238 -8.331 -24.855 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.574 -7.535 -26.904 1.00 0.00 C ATOM 265 CE2 PHE A 17 -13.040 -9.157 -25.938 1.00 0.00 C ATOM 266 CZ PHE A 17 -12.206 -8.760 -26.966 1.00 0.00 C ATOM 0 H PHE A 17 -13.360 -4.556 -21.858 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.395 -4.457 -24.686 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.859 -5.810 -23.277 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.209 -6.806 -22.770 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.283 -5.752 -25.771 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.890 -8.647 -24.054 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.921 -7.222 -27.705 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.536 -10.115 -25.984 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.049 -9.407 -27.816 1.00 0.00 H new ATOM 276 N GLN A 18 -15.949 -5.884 -23.195 1.00 0.00 N ATOM 277 CA GLN A 18 -17.323 -6.325 -23.374 1.00 0.00 C ATOM 278 C GLN A 18 -18.126 -5.211 -24.035 1.00 0.00 C ATOM 279 O GLN A 18 -18.889 -5.441 -24.972 1.00 0.00 O ATOM 280 CB GLN A 18 -17.925 -6.661 -22.013 1.00 0.00 C ATOM 281 CG GLN A 18 -19.324 -7.233 -22.066 1.00 0.00 C ATOM 282 CD GLN A 18 -19.949 -7.330 -20.691 1.00 0.00 C ATOM 283 OE1 GLN A 18 -19.683 -6.507 -19.815 1.00 0.00 O ATOM 284 NE2 GLN A 18 -20.760 -8.343 -20.484 1.00 0.00 N ATOM 0 H GLN A 18 -15.646 -5.852 -22.222 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.349 -7.212 -24.007 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.274 -7.375 -21.509 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.939 -5.757 -21.404 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.948 -6.607 -22.704 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.294 -8.223 -22.521 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.954 -9.003 -21.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -21.195 -8.469 -19.570 1.00 0.00 H new ATOM 293 N ARG A 19 -17.919 -3.993 -23.543 1.00 0.00 N ATOM 294 CA ARG A 19 -18.564 -2.806 -24.089 1.00 0.00 C ATOM 295 C ARG A 19 -18.097 -2.576 -25.515 1.00 0.00 C ATOM 296 O ARG A 19 -18.858 -2.112 -26.367 1.00 0.00 O ATOM 297 CB ARG A 19 -18.241 -1.578 -23.228 1.00 0.00 C ATOM 298 CG ARG A 19 -18.590 -1.747 -21.760 1.00 0.00 C ATOM 299 CD ARG A 19 -20.057 -2.074 -21.566 1.00 0.00 C ATOM 300 NE ARG A 19 -20.366 -2.374 -20.170 1.00 0.00 N ATOM 301 CZ ARG A 19 -21.554 -2.796 -19.735 1.00 0.00 C ATOM 302 NH1 ARG A 19 -22.571 -2.931 -20.585 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -21.727 -3.068 -18.449 1.00 0.00 N ATOM 0 H ARG A 19 -17.300 -3.803 -22.755 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.643 -2.960 -24.085 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.178 -1.355 -23.315 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.781 -0.717 -23.623 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.980 -2.542 -21.330 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.347 -0.832 -21.221 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.664 -1.233 -21.900 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.325 -2.927 -22.189 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.623 -2.253 -19.482 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.443 -2.711 -21.573 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -23.478 -3.254 -20.248 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.953 -2.954 -17.795 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -22.635 -3.391 -18.114 1.00 0.00 H new ATOM 317 N LEU A 20 -16.835 -2.916 -25.763 1.00 0.00 N ATOM 318 CA LEU A 20 -16.228 -2.773 -27.072 1.00 0.00 C ATOM 319 C LEU A 20 -16.989 -3.609 -28.094 1.00 0.00 C ATOM 320 O LEU A 20 -17.207 -3.169 -29.214 1.00 0.00 O ATOM 321 CB LEU A 20 -14.756 -3.213 -27.021 1.00 0.00 C ATOM 322 CG LEU A 20 -13.951 -3.050 -28.313 1.00 0.00 C ATOM 323 CD1 LEU A 20 -13.703 -1.583 -28.607 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.636 -3.808 -28.221 1.00 0.00 C ATOM 0 H LEU A 20 -16.207 -3.299 -25.056 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.272 -1.725 -27.370 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.257 -2.647 -26.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.723 -4.262 -26.728 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.532 -3.469 -29.135 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.129 -1.489 -29.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.657 -1.068 -28.719 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.144 -1.137 -27.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.077 -3.681 -29.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.050 -3.420 -27.388 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.837 -4.867 -28.061 1.00 0.00 H new ATOM 336 N ARG A 21 -17.406 -4.816 -27.693 1.00 0.00 N ATOM 337 CA ARG A 21 -18.179 -5.676 -28.585 1.00 0.00 C ATOM 338 C ARG A 21 -19.522 -5.075 -28.883 1.00 0.00 C ATOM 339 O ARG A 21 -19.920 -5.013 -30.029 1.00 0.00 O ATOM 340 CB ARG A 21 -18.376 -7.091 -28.023 1.00 0.00 C ATOM 341 CG ARG A 21 -17.253 -8.066 -28.335 1.00 0.00 C ATOM 342 CD ARG A 21 -16.918 -8.122 -29.833 1.00 0.00 C ATOM 343 NE ARG A 21 -18.029 -8.594 -30.712 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.917 -9.648 -31.541 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.863 -10.454 -31.468 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.867 -9.903 -32.415 1.00 0.00 N ATOM 0 H ARG A 21 -17.223 -5.211 -26.771 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.597 -5.756 -29.503 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.489 -7.024 -26.941 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -19.309 -7.496 -28.416 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.362 -7.778 -27.778 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.535 -9.061 -27.992 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.615 -7.127 -30.159 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.060 -8.779 -29.973 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.917 -8.093 -30.683 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.131 -10.276 -30.780 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.786 -11.251 -32.100 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.689 -9.301 -32.465 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.781 -10.702 -33.043 1.00 0.00 H new ATOM 360 N GLU A 22 -20.196 -4.573 -27.856 1.00 0.00 N ATOM 361 CA GLU A 22 -21.542 -4.051 -28.031 1.00 0.00 C ATOM 362 C GLU A 22 -21.524 -2.909 -29.026 1.00 0.00 C ATOM 363 O GLU A 22 -22.244 -2.924 -30.013 1.00 0.00 O ATOM 364 CB GLU A 22 -22.079 -3.535 -26.690 1.00 0.00 C ATOM 365 CG GLU A 22 -21.967 -4.528 -25.544 1.00 0.00 C ATOM 366 CD GLU A 22 -22.819 -5.750 -25.749 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.994 -5.734 -25.332 1.00 0.00 O ATOM 368 OE2 GLU A 22 -22.327 -6.735 -26.324 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.836 -4.517 -26.903 1.00 0.00 H new ATOM 0 HA GLU A 22 -22.184 -4.851 -28.400 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.539 -2.627 -26.422 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.126 -3.259 -26.814 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -20.926 -4.831 -25.432 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -22.259 -4.039 -24.615 1.00 0.00 H new ATOM 375 N ILE A 23 -20.679 -1.939 -28.772 1.00 0.00 N ATOM 376 CA ILE A 23 -20.510 -0.803 -29.656 1.00 0.00 C ATOM 377 C ILE A 23 -20.018 -1.218 -31.060 1.00 0.00 C ATOM 378 O ILE A 23 -20.453 -0.653 -32.070 1.00 0.00 O ATOM 379 CB ILE A 23 -19.549 0.218 -29.010 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.152 0.700 -27.683 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.296 1.391 -29.937 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.222 1.543 -26.850 1.00 0.00 C ATOM 0 H ILE A 23 -20.085 -1.912 -27.943 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.486 -0.340 -29.797 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.589 -0.264 -28.823 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.054 1.275 -27.895 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.457 -0.168 -27.099 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.616 2.094 -29.457 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.851 1.032 -30.865 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.239 1.891 -30.157 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.726 1.841 -25.931 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.330 0.966 -26.604 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.936 2.432 -27.412 1.00 0.00 H new ATOM 394 N PHE A 24 -19.139 -2.215 -31.117 1.00 0.00 N ATOM 395 CA PHE A 24 -18.603 -2.675 -32.402 1.00 0.00 C ATOM 396 C PHE A 24 -19.683 -3.397 -33.208 1.00 0.00 C ATOM 397 O PHE A 24 -19.878 -3.122 -34.391 1.00 0.00 O ATOM 398 CB PHE A 24 -17.385 -3.589 -32.218 1.00 0.00 C ATOM 399 CG PHE A 24 -16.752 -4.015 -33.521 1.00 0.00 C ATOM 400 CD1 PHE A 24 -15.728 -3.272 -34.089 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.188 -5.151 -34.180 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.155 -3.658 -35.288 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.618 -5.540 -35.374 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.603 -4.797 -35.930 1.00 0.00 C ATOM 0 H PHE A 24 -18.784 -2.716 -30.302 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.278 -1.792 -32.951 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.640 -3.072 -31.613 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.687 -4.477 -31.662 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.374 -2.382 -33.590 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.986 -5.741 -33.753 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.359 -3.070 -35.721 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.970 -6.430 -35.874 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.157 -5.103 -36.865 1.00 0.00 H new ATOM 414 N ASP A 25 -20.380 -4.323 -32.551 1.00 0.00 N ATOM 415 CA ASP A 25 -21.454 -5.096 -33.186 1.00 0.00 C ATOM 416 C ASP A 25 -22.591 -4.184 -33.651 1.00 0.00 C ATOM 417 O ASP A 25 -23.338 -4.524 -34.567 1.00 0.00 O ATOM 418 CB ASP A 25 -21.995 -6.180 -32.221 1.00 0.00 C ATOM 419 CG ASP A 25 -20.985 -7.294 -31.923 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.563 -7.986 -32.858 1.00 0.00 O ATOM 421 OD2 ASP A 25 -20.630 -7.495 -30.749 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.221 -4.560 -31.572 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.033 -5.589 -34.062 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.289 -5.707 -31.284 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.894 -6.621 -32.651 1.00 0.00 H new ATOM 426 N LYS A 26 -22.712 -3.032 -33.008 1.00 0.00 N ATOM 427 CA LYS A 26 -23.721 -2.037 -33.380 1.00 0.00 C ATOM 428 C LYS A 26 -23.168 -1.034 -34.402 1.00 0.00 C ATOM 429 O LYS A 26 -23.850 -0.078 -34.779 1.00 0.00 O ATOM 430 CB LYS A 26 -24.247 -1.316 -32.140 1.00 0.00 C ATOM 431 CG LYS A 26 -24.893 -2.257 -31.139 1.00 0.00 C ATOM 432 CD LYS A 26 -25.262 -1.549 -29.850 1.00 0.00 C ATOM 433 CE LYS A 26 -25.512 -2.552 -28.731 1.00 0.00 C ATOM 434 NZ LYS A 26 -26.598 -3.507 -29.063 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.123 -2.757 -32.222 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.551 -2.563 -33.851 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.425 -0.788 -31.657 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.974 -0.563 -32.445 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.788 -2.697 -31.580 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.210 -3.077 -30.919 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.461 -0.869 -29.562 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.154 -0.942 -30.006 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.594 -3.105 -28.530 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.769 -2.017 -27.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.801 -4.103 -28.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.454 -2.980 -29.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.301 -4.108 -29.858 1.00 0.00 H new ATOM 448 N GLY A 27 -21.933 -1.272 -34.848 1.00 0.00 N ATOM 449 CA GLY A 27 -21.298 -0.430 -35.855 1.00 0.00 C ATOM 450 C GLY A 27 -21.179 1.036 -35.472 1.00 0.00 C ATOM 451 O GLY A 27 -21.176 1.904 -36.344 1.00 0.00 O ATOM 0 H GLY A 27 -21.353 -2.046 -34.524 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.301 -0.820 -36.060 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.866 -0.505 -36.782 1.00 0.00 H new ATOM 455 N ASP A 28 -21.086 1.327 -34.188 1.00 0.00 N ATOM 456 CA ASP A 28 -20.977 2.715 -33.753 1.00 0.00 C ATOM 457 C ASP A 28 -19.510 3.151 -33.741 1.00 0.00 C ATOM 458 O ASP A 28 -18.839 3.104 -32.709 1.00 0.00 O ATOM 459 CB ASP A 28 -21.615 2.912 -32.372 1.00 0.00 C ATOM 460 CG ASP A 28 -21.814 4.378 -32.004 1.00 0.00 C ATOM 461 OD1 ASP A 28 -20.878 5.185 -32.180 1.00 0.00 O ATOM 462 OD2 ASP A 28 -22.918 4.728 -31.534 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.083 0.638 -33.436 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.520 3.340 -34.461 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -22.579 2.405 -32.349 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.987 2.437 -31.618 1.00 0.00 H new ATOM 467 N ASP A 29 -19.016 3.528 -34.917 1.00 0.00 N ATOM 468 CA ASP A 29 -17.623 3.975 -35.096 1.00 0.00 C ATOM 469 C ASP A 29 -17.266 5.142 -34.175 1.00 0.00 C ATOM 470 O ASP A 29 -16.134 5.237 -33.695 1.00 0.00 O ATOM 471 CB ASP A 29 -17.375 4.409 -36.553 1.00 0.00 C ATOM 472 CG ASP A 29 -17.573 3.299 -37.569 1.00 0.00 C ATOM 473 OD1 ASP A 29 -18.727 3.096 -38.019 1.00 0.00 O ATOM 474 OD2 ASP A 29 -16.574 2.649 -37.955 1.00 0.00 O1- ATOM 0 H ASP A 29 -19.564 3.535 -35.777 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.991 3.124 -34.841 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.046 5.233 -36.795 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.357 4.790 -36.640 1.00 0.00 H new ATOM 479 N ASP A 30 -18.230 6.013 -33.915 1.00 0.00 N ATOM 480 CA ASP A 30 -17.983 7.206 -33.105 1.00 0.00 C ATOM 481 C ASP A 30 -17.686 6.849 -31.662 1.00 0.00 C ATOM 482 O ASP A 30 -16.712 7.331 -31.083 1.00 0.00 O ATOM 483 CB ASP A 30 -19.168 8.170 -33.166 1.00 0.00 C ATOM 484 CG ASP A 30 -19.347 8.794 -34.531 1.00 0.00 C ATOM 485 OD1 ASP A 30 -18.703 9.830 -34.806 1.00 0.00 O ATOM 486 OD2 ASP A 30 -20.134 8.261 -35.334 1.00 0.00 O1- ATOM 0 H ASP A 30 -19.189 5.920 -34.250 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.106 7.699 -33.525 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.079 7.637 -32.893 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.027 8.959 -32.427 1.00 0.00 H new ATOM 491 N SER A 31 -18.511 6.001 -31.084 1.00 0.00 N ATOM 492 CA SER A 31 -18.327 5.587 -29.710 1.00 0.00 C ATOM 493 C SER A 31 -17.153 4.612 -29.604 1.00 0.00 C ATOM 494 O SER A 31 -16.439 4.584 -28.600 1.00 0.00 O ATOM 495 CB SER A 31 -19.612 4.956 -29.166 1.00 0.00 C ATOM 496 OG SER A 31 -19.533 4.742 -27.766 1.00 0.00 O ATOM 0 H SER A 31 -19.318 5.584 -31.547 1.00 0.00 H new ATOM 0 HA SER A 31 -18.098 6.465 -29.106 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.460 5.604 -29.389 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.795 4.007 -29.671 1.00 0.00 H new ATOM 0 HG SER A 31 -20.369 4.340 -27.449 1.00 0.00 H new ATOM 502 N LEU A 32 -16.945 3.837 -30.663 1.00 0.00 N ATOM 503 CA LEU A 32 -15.884 2.838 -30.708 1.00 0.00 C ATOM 504 C LEU A 32 -14.511 3.488 -30.545 1.00 0.00 C ATOM 505 O LEU A 32 -13.664 2.979 -29.809 1.00 0.00 O ATOM 506 CB LEU A 32 -15.949 2.091 -32.045 1.00 0.00 C ATOM 507 CG LEU A 32 -15.027 0.886 -32.195 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.469 -0.239 -31.278 1.00 0.00 C ATOM 509 CD2 LEU A 32 -14.998 0.419 -33.641 1.00 0.00 C ATOM 0 H LEU A 32 -17.507 3.884 -31.513 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.028 2.139 -29.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.975 1.757 -32.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.720 2.798 -32.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.018 1.183 -31.909 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.800 -1.091 -31.398 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.440 0.102 -30.243 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.486 -0.538 -31.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.336 -0.442 -33.732 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.004 0.137 -33.953 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.634 1.226 -34.277 1.00 0.00 H new ATOM 521 N GLU A 33 -14.303 4.622 -31.214 1.00 0.00 N ATOM 522 CA GLU A 33 -13.032 5.344 -31.126 1.00 0.00 C ATOM 523 C GLU A 33 -12.739 5.736 -29.678 1.00 0.00 C ATOM 524 O GLU A 33 -11.604 5.620 -29.203 1.00 0.00 O ATOM 525 CB GLU A 33 -13.059 6.595 -32.007 1.00 0.00 C ATOM 526 CG GLU A 33 -11.747 7.365 -32.014 1.00 0.00 C ATOM 527 CD GLU A 33 -11.838 8.668 -32.769 1.00 0.00 C ATOM 528 OE1 GLU A 33 -11.628 8.664 -34.000 1.00 0.00 O ATOM 529 OE2 GLU A 33 -12.115 9.711 -32.132 1.00 0.00 O1- ATOM 0 H GLU A 33 -14.995 5.060 -31.821 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.242 4.682 -31.481 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.305 6.304 -33.028 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.856 7.254 -31.662 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.444 7.566 -30.987 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.970 6.745 -32.461 1.00 0.00 H new ATOM 536 N GLN A 34 -13.782 6.173 -28.982 1.00 0.00 N ATOM 537 CA GLN A 34 -13.676 6.582 -27.586 1.00 0.00 C ATOM 538 C GLN A 34 -13.202 5.417 -26.735 1.00 0.00 C ATOM 539 O GLN A 34 -12.307 5.561 -25.892 1.00 0.00 O ATOM 540 CB GLN A 34 -15.040 7.039 -27.077 1.00 0.00 C ATOM 541 CG GLN A 34 -15.657 8.174 -27.868 1.00 0.00 C ATOM 542 CD GLN A 34 -17.137 8.333 -27.582 1.00 0.00 C ATOM 543 OE1 GLN A 34 -17.615 8.008 -26.493 1.00 0.00 O ATOM 544 NE2 GLN A 34 -17.871 8.833 -28.553 1.00 0.00 N ATOM 0 H GLN A 34 -14.723 6.254 -29.368 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.960 7.401 -27.517 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -15.723 6.189 -27.092 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.940 7.350 -26.037 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.141 9.104 -27.629 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.512 7.993 -28.933 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.437 9.090 -29.440 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.874 8.964 -28.419 1.00 0.00 H new ATOM 553 N VAL A 35 -13.799 4.260 -26.977 1.00 0.00 N ATOM 554 CA VAL A 35 -13.496 3.054 -26.230 1.00 0.00 C ATOM 555 C VAL A 35 -12.087 2.554 -26.521 1.00 0.00 C ATOM 556 O VAL A 35 -11.399 2.088 -25.621 1.00 0.00 O ATOM 557 CB VAL A 35 -14.518 1.941 -26.543 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.208 0.671 -25.768 1.00 0.00 C ATOM 559 CG2 VAL A 35 -15.920 2.417 -26.232 1.00 0.00 C ATOM 0 H VAL A 35 -14.508 4.133 -27.699 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.559 3.308 -25.172 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.448 1.709 -27.606 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.946 -0.093 -26.011 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.214 0.314 -26.037 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.241 0.880 -24.699 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.632 1.623 -26.457 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.990 2.678 -25.176 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.150 3.293 -26.839 1.00 0.00 H new ATOM 569 N LEU A 36 -11.645 2.685 -27.770 1.00 0.00 N ATOM 570 CA LEU A 36 -10.311 2.219 -28.158 1.00 0.00 C ATOM 571 C LEU A 36 -9.239 2.934 -27.353 1.00 0.00 C ATOM 572 O LEU A 36 -8.280 2.316 -26.895 1.00 0.00 O ATOM 573 CB LEU A 36 -10.068 2.452 -29.653 1.00 0.00 C ATOM 574 CG LEU A 36 -10.995 1.705 -30.612 1.00 0.00 C ATOM 575 CD1 LEU A 36 -10.711 2.112 -32.047 1.00 0.00 C ATOM 576 CD2 LEU A 36 -10.842 0.199 -30.447 1.00 0.00 C ATOM 0 H LEU A 36 -12.184 3.106 -28.527 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.258 1.150 -27.952 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.157 3.520 -29.852 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.040 2.170 -29.881 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.024 1.972 -30.371 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.379 1.571 -32.718 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.873 3.184 -32.160 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.677 1.873 -32.295 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.511 -0.313 -31.139 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.812 -0.087 -30.659 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.094 -0.082 -29.424 1.00 0.00 H new ATOM 588 N GLU A 37 -9.432 4.228 -27.150 1.00 0.00 N ATOM 589 CA GLU A 37 -8.510 5.029 -26.402 1.00 0.00 C ATOM 590 C GLU A 37 -8.497 4.598 -24.932 1.00 0.00 C ATOM 591 O GLU A 37 -7.438 4.556 -24.289 1.00 0.00 O ATOM 592 CB GLU A 37 -8.909 6.487 -26.532 1.00 0.00 C ATOM 593 CG GLU A 37 -8.081 7.414 -25.702 1.00 0.00 C ATOM 594 CD GLU A 37 -8.453 8.857 -25.906 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.660 9.163 -25.934 1.00 0.00 O ATOM 596 OE2 GLU A 37 -7.538 9.700 -26.034 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.238 4.742 -27.505 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.503 4.894 -26.796 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.832 6.783 -27.578 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.955 6.595 -26.246 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.199 7.157 -24.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.028 7.275 -25.948 1.00 0.00 H new ATOM 603 N GLU A 38 -9.675 4.266 -24.415 1.00 0.00 N ATOM 604 CA GLU A 38 -9.812 3.807 -23.042 1.00 0.00 C ATOM 605 C GLU A 38 -9.141 2.448 -22.872 1.00 0.00 C ATOM 606 O GLU A 38 -8.482 2.191 -21.865 1.00 0.00 O ATOM 607 CB GLU A 38 -11.290 3.735 -22.651 1.00 0.00 C ATOM 608 CG GLU A 38 -11.538 3.150 -21.273 1.00 0.00 C ATOM 609 CD GLU A 38 -12.960 3.344 -20.811 1.00 0.00 C ATOM 610 OE1 GLU A 38 -13.865 2.675 -21.344 1.00 0.00 O ATOM 611 OE2 GLU A 38 -13.179 4.177 -19.904 1.00 0.00 O1- ATOM 0 H GLU A 38 -10.553 4.308 -24.932 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.318 4.519 -22.381 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.714 4.738 -22.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.822 3.135 -23.390 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.306 2.085 -21.287 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.860 3.615 -20.557 1.00 0.00 H new ATOM 618 N ILE A 39 -9.294 1.596 -23.879 1.00 0.00 N ATOM 619 CA ILE A 39 -8.669 0.282 -23.860 1.00 0.00 C ATOM 620 C ILE A 39 -7.160 0.448 -23.742 1.00 0.00 C ATOM 621 O ILE A 39 -6.522 -0.183 -22.901 1.00 0.00 O ATOM 622 CB ILE A 39 -8.997 -0.547 -25.134 1.00 0.00 C ATOM 623 CG1 ILE A 39 -10.507 -0.805 -25.248 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.232 -1.867 -25.129 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.088 -1.611 -24.103 1.00 0.00 C ATOM 0 H ILE A 39 -9.844 1.792 -24.716 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.067 -0.262 -23.003 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.683 0.033 -26.002 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.025 0.153 -25.303 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.705 -1.328 -26.183 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.475 -2.432 -26.029 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.161 -1.667 -25.105 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.512 -2.447 -24.250 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.158 -1.748 -24.261 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.600 -2.585 -24.059 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.925 -1.081 -23.165 1.00 0.00 H new ATOM 637 N GLU A 40 -6.609 1.336 -24.566 1.00 0.00 N ATOM 638 CA GLU A 40 -5.180 1.632 -24.547 1.00 0.00 C ATOM 639 C GLU A 40 -4.727 2.099 -23.164 1.00 0.00 C ATOM 640 O GLU A 40 -3.685 1.669 -22.667 1.00 0.00 O ATOM 641 CB GLU A 40 -4.852 2.724 -25.563 1.00 0.00 C ATOM 642 CG GLU A 40 -5.158 2.372 -27.004 1.00 0.00 C ATOM 643 CD GLU A 40 -4.802 3.500 -27.947 1.00 0.00 C ATOM 644 OE1 GLU A 40 -5.710 4.236 -28.386 1.00 0.00 O ATOM 645 OE2 GLU A 40 -3.603 3.674 -28.234 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.136 1.866 -25.260 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.654 0.712 -24.802 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.408 3.624 -25.299 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.793 2.968 -25.482 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.605 1.476 -27.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.218 2.136 -27.103 1.00 0.00 H new ATOM 652 N GLU A 41 -5.525 2.952 -22.534 1.00 0.00 N ATOM 653 CA GLU A 41 -5.175 3.509 -21.255 1.00 0.00 C ATOM 654 C GLU A 41 -5.246 2.444 -20.157 1.00 0.00 C ATOM 655 O GLU A 41 -4.427 2.430 -19.232 1.00 0.00 O ATOM 656 CB GLU A 41 -6.100 4.669 -20.926 1.00 0.00 C ATOM 657 CG GLU A 41 -5.613 5.493 -19.771 1.00 0.00 C ATOM 658 CD GLU A 41 -6.604 6.536 -19.331 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.738 7.567 -20.017 1.00 0.00 O ATOM 660 OE2 GLU A 41 -7.244 6.340 -18.281 1.00 0.00 O1- ATOM 0 H GLU A 41 -6.423 3.268 -22.900 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.149 3.874 -21.306 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.201 5.307 -21.804 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.093 4.282 -20.697 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.390 4.835 -18.931 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.679 5.982 -20.049 1.00 0.00 H new ATOM 667 N LEU A 42 -6.220 1.547 -20.269 1.00 0.00 N ATOM 668 CA LEU A 42 -6.388 0.478 -19.297 1.00 0.00 C ATOM 669 C LEU A 42 -5.234 -0.501 -19.390 1.00 0.00 C ATOM 670 O LEU A 42 -4.773 -1.033 -18.378 1.00 0.00 O ATOM 671 CB LEU A 42 -7.723 -0.245 -19.498 1.00 0.00 C ATOM 672 CG LEU A 42 -8.981 0.593 -19.242 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.230 -0.225 -19.513 1.00 0.00 C ATOM 674 CD2 LEU A 42 -8.992 1.128 -17.816 1.00 0.00 C ATOM 0 H LEU A 42 -6.905 1.541 -21.025 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.394 0.921 -18.301 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.761 -0.620 -20.521 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.747 -1.113 -18.839 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.970 1.442 -19.925 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.113 0.386 -19.326 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.231 -0.555 -20.552 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.245 -1.095 -18.856 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.893 1.720 -17.656 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.976 0.294 -17.114 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.114 1.754 -17.655 1.00 0.00 H new ATOM 686 N ILE A 43 -4.763 -0.730 -20.613 1.00 0.00 N ATOM 687 CA ILE A 43 -3.626 -1.605 -20.838 1.00 0.00 C ATOM 688 C ILE A 43 -2.406 -1.056 -20.112 1.00 0.00 C ATOM 689 O ILE A 43 -1.667 -1.805 -19.468 1.00 0.00 O ATOM 690 CB ILE A 43 -3.296 -1.742 -22.351 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.463 -2.384 -23.106 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.019 -2.555 -22.554 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.264 -2.435 -24.610 1.00 0.00 C ATOM 0 H ILE A 43 -5.154 -0.320 -21.461 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.886 -2.591 -20.453 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.136 -0.742 -22.753 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.611 -3.398 -22.734 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.375 -1.828 -22.888 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.807 -2.639 -23.620 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.187 -2.056 -22.056 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.151 -3.551 -22.131 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.131 -2.903 -25.076 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.147 -1.422 -24.996 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.371 -3.017 -24.839 1.00 0.00 H new ATOM 705 N GLN A 44 -2.219 0.260 -20.194 1.00 0.00 N ATOM 706 CA GLN A 44 -1.088 0.914 -19.548 1.00 0.00 C ATOM 707 C GLN A 44 -1.158 0.750 -18.038 1.00 0.00 C ATOM 708 O GLN A 44 -0.194 0.347 -17.415 1.00 0.00 O ATOM 709 CB GLN A 44 -1.083 2.404 -19.871 1.00 0.00 C ATOM 710 CG GLN A 44 -0.993 2.733 -21.344 1.00 0.00 C ATOM 711 CD GLN A 44 -1.184 4.211 -21.604 1.00 0.00 C ATOM 712 OE1 GLN A 44 -1.898 4.896 -20.866 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.551 4.712 -22.638 1.00 0.00 N ATOM 0 H GLN A 44 -2.837 0.892 -20.702 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.178 0.446 -19.924 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.991 2.852 -19.468 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.242 2.870 -19.357 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.022 2.419 -21.727 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.749 2.168 -21.889 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.029 4.109 -23.222 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.639 5.704 -22.858 1.00 0.00 H new ATOM 722 N LYS A 45 -2.326 1.011 -17.471 1.00 0.00 N ATOM 723 CA LYS A 45 -2.511 0.936 -16.021 1.00 0.00 C ATOM 724 C LYS A 45 -2.313 -0.479 -15.500 1.00 0.00 C ATOM 725 O LYS A 45 -1.783 -0.683 -14.414 1.00 0.00 O ATOM 726 CB LYS A 45 -3.889 1.468 -15.622 1.00 0.00 C ATOM 727 CG LYS A 45 -4.022 2.979 -15.751 1.00 0.00 C ATOM 728 CD LYS A 45 -5.407 3.454 -15.342 1.00 0.00 C ATOM 729 CE LYS A 45 -5.454 4.968 -15.181 1.00 0.00 C ATOM 730 NZ LYS A 45 -5.174 5.688 -16.453 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.163 1.277 -17.989 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.748 1.565 -15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.647 0.991 -16.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.095 1.181 -14.591 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.271 3.466 -15.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.824 3.276 -16.781 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.135 3.144 -16.092 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.693 2.978 -14.404 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.437 5.260 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.727 5.272 -14.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.901 6.669 -16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.398 5.213 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.027 5.686 -17.048 1.00 0.00 H new ATOM 744 N HIS A 46 -2.718 -1.445 -16.288 1.00 0.00 N ATOM 745 CA HIS A 46 -2.603 -2.839 -15.914 1.00 0.00 C ATOM 746 C HIS A 46 -1.154 -3.319 -16.076 1.00 0.00 C ATOM 747 O HIS A 46 -0.617 -4.006 -15.211 1.00 0.00 O ATOM 748 CB HIS A 46 -3.575 -3.658 -16.777 1.00 0.00 C ATOM 749 CG HIS A 46 -3.494 -5.153 -16.645 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.849 -5.855 -15.509 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.163 -6.077 -17.562 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.738 -7.151 -15.749 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.323 -7.310 -16.995 1.00 0.00 N ATOM 0 H HIS A 46 -3.136 -1.291 -17.205 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.866 -2.972 -14.865 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.591 -3.349 -16.533 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.405 -3.398 -17.822 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.149 -5.440 -14.627 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.829 -5.880 -18.570 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.950 -7.944 -15.047 1.00 0.00 H new ATOM 761 N ARG A 47 -0.535 -2.947 -17.192 1.00 0.00 N ATOM 762 CA ARG A 47 0.848 -3.333 -17.479 1.00 0.00 C ATOM 763 C ARG A 47 1.863 -2.621 -16.580 1.00 0.00 C ATOM 764 O ARG A 47 2.821 -3.237 -16.123 1.00 0.00 O ATOM 765 CB ARG A 47 1.184 -3.074 -18.950 1.00 0.00 C ATOM 766 CG ARG A 47 2.577 -3.533 -19.349 1.00 0.00 C ATOM 767 CD ARG A 47 2.811 -3.381 -20.841 1.00 0.00 C ATOM 768 NE ARG A 47 4.096 -3.948 -21.245 1.00 0.00 N ATOM 769 CZ ARG A 47 4.255 -4.836 -22.234 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.214 -5.252 -22.943 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.455 -5.311 -22.514 1.00 0.00 N ATOM 0 H ARG A 47 -0.969 -2.376 -17.917 1.00 0.00 H new ATOM 0 HA ARG A 47 0.922 -4.400 -17.268 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.451 -3.582 -19.576 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.091 -2.007 -19.152 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.322 -2.954 -18.803 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.712 -4.576 -19.064 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.007 -3.874 -21.388 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.778 -2.325 -21.109 1.00 0.00 H new ATOM 0 HE ARG A 47 4.929 -3.646 -20.739 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.281 -4.895 -22.737 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.346 -5.929 -23.694 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.264 -5.001 -21.976 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.572 -5.988 -23.268 1.00 0.00 H new ATOM 785 N GLN A 48 1.644 -1.335 -16.310 1.00 0.00 N ATOM 786 CA GLN A 48 2.599 -0.553 -15.516 1.00 0.00 C ATOM 787 C GLN A 48 2.799 -1.127 -14.125 1.00 0.00 C ATOM 788 O GLN A 48 3.894 -1.061 -13.583 1.00 0.00 O ATOM 789 CB GLN A 48 2.201 0.924 -15.434 1.00 0.00 C ATOM 790 CG GLN A 48 2.372 1.677 -16.746 1.00 0.00 C ATOM 791 CD GLN A 48 3.771 1.544 -17.322 1.00 0.00 C ATOM 792 OE1 GLN A 48 4.754 1.404 -16.587 1.00 0.00 O ATOM 793 NE2 GLN A 48 3.871 1.590 -18.636 1.00 0.00 N ATOM 0 H GLN A 48 0.825 -0.815 -16.624 1.00 0.00 H new ATOM 0 HA GLN A 48 3.552 -0.618 -16.041 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.160 0.994 -15.118 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.801 1.411 -14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.648 1.304 -17.471 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.148 2.732 -16.586 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.034 1.707 -19.207 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.785 1.509 -19.081 1.00 0.00 H new ATOM 802 N LEU A 49 1.758 -1.725 -13.564 1.00 0.00 N ATOM 803 CA LEU A 49 1.856 -2.323 -12.236 1.00 0.00 C ATOM 804 C LEU A 49 2.858 -3.475 -12.251 1.00 0.00 C ATOM 805 O LEU A 49 3.513 -3.764 -11.255 1.00 0.00 O ATOM 806 CB LEU A 49 0.488 -2.831 -11.783 1.00 0.00 C ATOM 807 CG LEU A 49 -0.592 -1.767 -11.599 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.933 -2.420 -11.316 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.217 -0.813 -10.474 1.00 0.00 C ATOM 0 H LEU A 49 0.841 -1.810 -14.002 1.00 0.00 H new ATOM 0 HA LEU A 49 2.200 -1.562 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.133 -3.559 -12.512 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.613 -3.361 -10.839 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.673 -1.194 -12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.693 -1.649 -11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.207 -3.064 -12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.863 -3.016 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.999 -0.062 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.109 -1.371 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.726 -0.321 -10.713 1.00 0.00 H new ATOM 821 N PHE A 50 2.964 -4.120 -13.390 1.00 0.00 N ATOM 822 CA PHE A 50 3.896 -5.214 -13.571 1.00 0.00 C ATOM 823 C PHE A 50 5.311 -4.675 -13.801 1.00 0.00 C ATOM 824 O PHE A 50 6.289 -5.263 -13.359 1.00 0.00 O ATOM 825 CB PHE A 50 3.452 -6.094 -14.751 1.00 0.00 C ATOM 826 CG PHE A 50 4.359 -7.261 -15.028 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.397 -8.346 -14.168 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.169 -7.276 -16.153 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.225 -9.421 -14.424 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.999 -8.348 -16.413 1.00 0.00 C ATOM 831 CZ PHE A 50 6.027 -9.422 -15.547 1.00 0.00 C ATOM 0 H PHE A 50 2.408 -3.903 -14.217 1.00 0.00 H new ATOM 0 HA PHE A 50 3.905 -5.824 -12.667 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.448 -6.468 -14.552 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.390 -5.476 -15.647 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.772 -8.351 -13.287 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.150 -6.438 -16.835 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.245 -10.261 -13.745 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.625 -8.346 -17.293 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.676 -10.262 -15.748 1.00 0.00 H new ATOM 841 N ASP A 51 5.393 -3.531 -14.469 1.00 0.00 N ATOM 842 CA ASP A 51 6.682 -2.932 -14.834 1.00 0.00 C ATOM 843 C ASP A 51 7.328 -2.164 -13.685 1.00 0.00 C ATOM 844 O ASP A 51 8.552 -2.201 -13.520 1.00 0.00 O ATOM 845 CB ASP A 51 6.544 -2.018 -16.052 1.00 0.00 C ATOM 846 CG ASP A 51 6.395 -2.790 -17.340 1.00 0.00 C ATOM 847 OD1 ASP A 51 7.315 -3.565 -17.680 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.372 -2.618 -18.029 1.00 0.00 O1- ATOM 0 H ASP A 51 4.581 -2.993 -14.773 1.00 0.00 H new ATOM 0 HA ASP A 51 7.338 -3.766 -15.081 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.678 -1.369 -15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.419 -1.372 -16.119 1.00 0.00 H new ATOM 969 N GLU A 60 3.977 -17.466 -19.671 1.00 0.00 N ATOM 970 CA GLU A 60 3.035 -17.637 -20.768 1.00 0.00 C ATOM 971 C GLU A 60 1.944 -16.580 -20.715 1.00 0.00 C ATOM 972 O GLU A 60 1.515 -16.061 -21.755 1.00 0.00 O ATOM 973 CB GLU A 60 2.438 -19.050 -20.779 1.00 0.00 C ATOM 974 CG GLU A 60 1.368 -19.248 -21.845 1.00 0.00 C ATOM 975 CD GLU A 60 1.241 -20.682 -22.294 1.00 0.00 C ATOM 976 OE1 GLU A 60 0.593 -21.482 -21.598 1.00 0.00 O ATOM 977 OE2 GLU A 60 1.784 -21.013 -23.370 1.00 0.00 O1- ATOM 0 HA GLU A 60 3.584 -17.508 -21.701 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.238 -19.773 -20.939 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.008 -19.262 -19.800 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.408 -18.909 -21.456 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.601 -18.623 -22.707 1.00 0.00 H new ATOM 984 N ALA A 61 1.509 -16.245 -19.507 1.00 0.00 N ATOM 985 CA ALA A 61 0.498 -15.214 -19.322 1.00 0.00 C ATOM 986 C ALA A 61 0.993 -13.879 -19.866 1.00 0.00 C ATOM 987 O ALA A 61 0.260 -13.171 -20.555 1.00 0.00 O ATOM 988 CB ALA A 61 0.132 -15.086 -17.851 1.00 0.00 C ATOM 0 H ALA A 61 1.841 -16.672 -18.642 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.395 -15.503 -19.876 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.625 -14.311 -17.730 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.261 -16.036 -17.490 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.019 -14.819 -17.277 1.00 0.00 H new ATOM 994 N ALA A 62 2.247 -13.552 -19.573 1.00 0.00 N ATOM 995 CA ALA A 62 2.850 -12.321 -20.062 1.00 0.00 C ATOM 996 C ALA A 62 2.956 -12.336 -21.587 1.00 0.00 C ATOM 997 O ALA A 62 2.750 -11.313 -22.242 1.00 0.00 O ATOM 998 CB ALA A 62 4.221 -12.116 -19.434 1.00 0.00 C ATOM 0 H ALA A 62 2.865 -14.125 -18.998 1.00 0.00 H new ATOM 0 HA ALA A 62 2.208 -11.488 -19.775 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.659 -11.191 -19.810 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.119 -12.055 -18.350 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.868 -12.955 -19.691 1.00 0.00 H new ATOM 1004 N LYS A 63 3.262 -13.508 -22.143 1.00 0.00 N ATOM 1005 CA LYS A 63 3.377 -13.668 -23.594 1.00 0.00 C ATOM 1006 C LYS A 63 2.048 -13.381 -24.286 1.00 0.00 C ATOM 1007 O LYS A 63 2.005 -12.662 -25.285 1.00 0.00 O ATOM 1008 CB LYS A 63 3.847 -15.087 -23.936 1.00 0.00 C ATOM 1009 CG LYS A 63 3.686 -15.458 -25.404 1.00 0.00 C ATOM 1010 CD LYS A 63 4.124 -16.886 -25.662 1.00 0.00 C ATOM 1011 CE LYS A 63 3.743 -17.347 -27.061 1.00 0.00 C ATOM 1012 NZ LYS A 63 2.268 -17.462 -27.229 1.00 0.00 N1+ ATOM 0 H LYS A 63 3.435 -14.361 -21.611 1.00 0.00 H new ATOM 0 HA LYS A 63 4.113 -12.949 -23.954 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.897 -15.187 -23.660 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.289 -15.799 -23.329 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.644 -15.336 -25.700 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.274 -14.778 -26.020 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.204 -16.964 -25.534 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.667 -17.546 -24.924 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.137 -16.644 -27.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.207 -18.312 -27.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.057 -17.921 -28.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.874 -18.032 -26.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.842 -16.513 -27.213 1.00 0.00 H new ATOM 1026 N GLN A 64 0.966 -13.922 -23.742 1.00 0.00 N ATOM 1027 CA GLN A 64 -0.359 -13.698 -24.308 1.00 0.00 C ATOM 1028 C GLN A 64 -0.761 -12.243 -24.157 1.00 0.00 C ATOM 1029 O GLN A 64 -1.485 -11.697 -24.987 1.00 0.00 O ATOM 1030 CB GLN A 64 -1.395 -14.602 -23.646 1.00 0.00 C ATOM 1031 CG GLN A 64 -1.272 -16.067 -24.021 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.480 -16.311 -25.503 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.202 -15.576 -26.175 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.863 -17.351 -26.016 1.00 0.00 N ATOM 0 H GLN A 64 0.978 -14.517 -22.913 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.318 -13.943 -25.369 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.305 -14.507 -22.564 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.391 -14.252 -23.915 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.286 -16.430 -23.732 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.003 -16.645 -23.456 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.273 -17.936 -25.425 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.974 -17.573 -27.005 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.261 -11.618 -23.102 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.566 -10.230 -22.854 1.00 0.00 C ATOM 1045 C GLY A 65 0.011 -9.343 -23.934 1.00 0.00 C ATOM 1046 O GLY A 65 -0.684 -8.496 -24.492 1.00 0.00 O ATOM 0 H GLY A 65 0.353 -12.052 -22.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.647 -10.095 -22.807 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.166 -9.934 -21.884 1.00 0.00 H new ATOM 1050 N ASP A 66 1.286 -9.558 -24.245 1.00 0.00 N ATOM 1051 CA ASP A 66 1.966 -8.800 -25.295 1.00 0.00 C ATOM 1052 C ASP A 66 1.347 -9.063 -26.656 1.00 0.00 C ATOM 1053 O ASP A 66 1.183 -8.141 -27.464 1.00 0.00 O ATOM 1054 CB ASP A 66 3.463 -9.124 -25.332 1.00 0.00 C ATOM 1055 CG ASP A 66 4.254 -8.351 -24.300 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.449 -7.131 -24.486 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.695 -8.957 -23.304 1.00 0.00 O1- ATOM 0 H ASP A 66 1.873 -10.253 -23.784 1.00 0.00 H new ATOM 0 HA ASP A 66 1.844 -7.743 -25.058 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.603 -10.192 -25.166 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.854 -8.902 -26.325 1.00 0.00 H new ATOM 1062 N GLN A 67 0.990 -10.315 -26.906 1.00 0.00 N ATOM 1063 CA GLN A 67 0.379 -10.697 -28.172 1.00 0.00 C ATOM 1064 C GLN A 67 -0.991 -10.045 -28.337 1.00 0.00 C ATOM 1065 O GLN A 67 -1.349 -9.600 -29.428 1.00 0.00 O ATOM 1066 CB GLN A 67 0.274 -12.221 -28.280 1.00 0.00 C ATOM 1067 CG GLN A 67 1.611 -12.906 -28.526 1.00 0.00 C ATOM 1068 CD GLN A 67 1.511 -14.421 -28.550 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.704 -15.022 -27.840 1.00 0.00 O ATOM 1070 NE2 GLN A 67 2.326 -15.046 -29.371 1.00 0.00 N ATOM 0 H GLN A 67 1.113 -11.085 -26.248 1.00 0.00 H new ATOM 0 HA GLN A 67 1.018 -10.340 -28.979 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.163 -12.613 -27.361 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.409 -12.474 -29.091 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.020 -12.560 -29.475 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.314 -12.607 -27.748 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.981 -14.513 -29.943 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.303 -16.064 -29.436 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.740 -9.969 -27.246 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.063 -9.358 -27.264 1.00 0.00 C ATOM 1081 C TRP A 68 -2.950 -7.869 -27.596 1.00 0.00 C ATOM 1082 O TRP A 68 -3.756 -7.324 -28.351 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.759 -9.551 -25.912 1.00 0.00 C ATOM 1084 CG TRP A 68 -5.209 -9.164 -25.917 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.257 -9.962 -26.260 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.773 -7.893 -25.561 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.436 -9.274 -26.143 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -7.169 -8.001 -25.715 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.236 -6.678 -25.127 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.032 -6.943 -25.452 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.095 -5.629 -24.865 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.479 -5.767 -25.028 1.00 0.00 C ATOM 0 H TRP A 68 -1.453 -10.324 -26.334 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.662 -9.844 -28.034 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.672 -10.596 -25.615 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.238 -8.961 -25.158 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -6.171 -10.990 -26.579 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.363 -9.649 -26.343 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.170 -6.562 -24.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.100 -7.047 -25.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.692 -4.685 -24.528 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.123 -4.927 -24.814 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.922 -7.227 -27.046 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.695 -5.802 -27.271 1.00 0.00 C ATOM 1105 C VAL A 69 -1.305 -5.556 -28.729 1.00 0.00 C ATOM 1106 O VAL A 69 -1.746 -4.588 -29.353 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.596 -5.238 -26.332 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.334 -3.764 -26.621 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.991 -5.426 -24.877 1.00 0.00 C ATOM 0 H VAL A 69 -1.232 -7.672 -26.441 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.626 -5.282 -27.047 1.00 0.00 H new ATOM 0 HB VAL A 69 0.324 -5.792 -26.520 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.440 -3.394 -25.949 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.004 -3.649 -27.653 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.251 -3.195 -26.467 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.209 -5.025 -24.233 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.926 -4.900 -24.683 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.122 -6.488 -24.670 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.499 -6.464 -29.271 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.042 -6.379 -30.637 1.00 0.00 C ATOM 1121 C GLN A 70 -1.230 -6.527 -31.586 1.00 0.00 C ATOM 1122 O GLN A 70 -1.364 -5.782 -32.566 1.00 0.00 O ATOM 1123 CB GLN A 70 0.989 -7.476 -30.885 1.00 0.00 C ATOM 1124 CG GLN A 70 1.628 -7.428 -32.246 1.00 0.00 C ATOM 1125 CD GLN A 70 2.673 -8.511 -32.433 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.578 -9.591 -31.850 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.678 -8.230 -33.235 1.00 0.00 N ATOM 0 H GLN A 70 -0.149 -7.278 -28.766 1.00 0.00 H new ATOM 0 HA GLN A 70 0.422 -5.409 -30.818 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.769 -7.403 -30.127 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.509 -8.446 -30.756 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.858 -7.534 -33.010 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.090 -6.452 -32.393 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.721 -7.323 -33.700 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.414 -8.919 -33.391 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.093 -7.489 -31.276 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.314 -7.717 -32.037 1.00 0.00 C ATOM 1138 C LEU A 71 -4.224 -6.499 -31.964 1.00 0.00 C ATOM 1139 O LEU A 71 -4.844 -6.122 -32.954 1.00 0.00 O ATOM 1140 CB LEU A 71 -4.056 -8.939 -31.500 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.909 -10.237 -32.295 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -2.459 -10.665 -32.399 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -4.735 -11.330 -31.651 1.00 0.00 C ATOM 0 H LEU A 71 -1.966 -8.130 -30.493 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.037 -7.893 -33.076 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.715 -9.124 -30.481 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.117 -8.694 -31.441 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.273 -10.057 -33.307 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.393 -11.591 -32.970 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.885 -9.887 -32.902 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.055 -10.826 -31.400 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.626 -12.252 -32.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.391 -11.493 -30.630 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.784 -11.033 -31.637 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.291 -5.882 -30.785 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.120 -4.698 -30.592 1.00 0.00 C ATOM 1157 C PHE A 72 -4.650 -3.564 -31.490 1.00 0.00 C ATOM 1158 O PHE A 72 -5.462 -2.864 -32.096 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.132 -4.237 -29.129 1.00 0.00 C ATOM 1160 CG PHE A 72 -5.955 -2.991 -28.922 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.328 -3.072 -28.756 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.357 -1.738 -28.918 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.088 -1.930 -28.589 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.111 -0.595 -28.750 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.478 -0.690 -28.587 1.00 0.00 C ATOM 0 H PHE A 72 -3.783 -6.183 -29.953 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.140 -4.972 -30.863 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.527 -5.037 -28.503 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.109 -4.051 -28.802 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.810 -4.039 -28.757 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.288 -1.657 -29.048 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.158 -2.006 -28.460 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.632 0.373 -28.746 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.070 0.204 -28.458 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.334 -3.394 -31.582 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.758 -2.360 -32.428 1.00 0.00 C ATOM 1177 C GLN A 73 -3.141 -2.596 -33.874 1.00 0.00 C ATOM 1178 O GLN A 73 -3.431 -1.662 -34.609 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.235 -2.323 -32.283 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.759 -1.786 -30.946 1.00 0.00 C ATOM 1181 CD GLN A 73 -1.201 -0.355 -30.714 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.267 -0.102 -30.155 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -0.390 0.588 -31.147 1.00 0.00 N ATOM 0 H GLN A 73 -2.649 -3.960 -31.081 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.154 -1.396 -32.109 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.842 -3.330 -32.420 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.818 -1.707 -33.080 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.143 -2.418 -30.145 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.329 -1.840 -30.901 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.486 0.337 -31.606 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.637 1.570 -31.023 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.162 -3.859 -34.263 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.539 -4.240 -35.606 1.00 0.00 C ATOM 1194 C ARG A 74 -5.035 -4.009 -35.814 1.00 0.00 C ATOM 1195 O ARG A 74 -5.459 -3.527 -36.859 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.189 -5.706 -35.837 1.00 0.00 C ATOM 1197 CG ARG A 74 -3.420 -6.190 -37.254 1.00 0.00 C ATOM 1198 CD ARG A 74 -2.954 -7.623 -37.412 1.00 0.00 C ATOM 1199 NE ARG A 74 -1.528 -7.765 -37.116 1.00 0.00 N ATOM 1200 CZ ARG A 74 -0.905 -8.930 -36.931 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -1.572 -10.077 -37.051 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 0.387 -8.946 -36.633 1.00 0.00 N ATOM 0 H ARG A 74 -2.919 -4.643 -33.658 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.992 -3.628 -36.323 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.141 -5.862 -35.579 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.779 -6.319 -35.156 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.479 -6.117 -37.500 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.885 -5.549 -37.955 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.529 -8.268 -36.748 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.149 -7.959 -38.430 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.971 -6.913 -37.046 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.565 -10.068 -37.286 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.090 -10.965 -36.908 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.901 -8.069 -36.546 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.867 -9.835 -36.491 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.819 -4.353 -34.800 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.264 -4.167 -34.837 1.00 0.00 C ATOM 1218 C PHE A 75 -7.612 -2.688 -34.985 1.00 0.00 C ATOM 1219 O PHE A 75 -8.414 -2.316 -35.837 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.907 -4.747 -33.569 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.400 -4.562 -33.496 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.248 -5.347 -34.259 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -9.953 -3.602 -32.660 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.618 -5.180 -34.191 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.322 -3.431 -32.589 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.155 -4.220 -33.355 1.00 0.00 C ATOM 0 H PHE A 75 -5.474 -4.766 -33.934 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.660 -4.699 -35.702 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.681 -5.812 -33.514 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.451 -4.279 -32.697 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.834 -6.098 -34.915 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.306 -2.982 -32.058 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.268 -5.799 -34.791 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.740 -2.680 -31.934 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.225 -4.087 -33.301 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.000 -1.849 -34.156 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.231 -0.415 -34.238 1.00 0.00 C ATOM 1238 C ARG A 76 -6.750 0.127 -35.577 1.00 0.00 C ATOM 1239 O ARG A 76 -7.432 0.935 -36.202 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.556 0.336 -33.075 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.823 1.841 -33.090 1.00 0.00 C ATOM 1242 CD ARG A 76 -5.560 2.642 -33.383 1.00 0.00 C ATOM 1243 NE ARG A 76 -5.844 3.833 -34.202 1.00 0.00 N ATOM 1244 CZ ARG A 76 -5.617 5.093 -33.835 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -5.105 5.368 -32.645 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -5.904 6.079 -34.673 1.00 0.00 N ATOM 0 H ARG A 76 -6.347 -2.135 -33.427 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.305 -0.248 -34.158 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.908 -0.079 -32.131 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.480 0.165 -33.117 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.579 2.068 -33.842 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.231 2.147 -32.126 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.098 2.948 -32.444 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.840 2.008 -33.901 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.248 3.680 -35.126 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.880 4.611 -31.999 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.935 6.337 -32.374 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.296 5.870 -35.591 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.733 7.047 -34.400 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.605 -0.378 -36.040 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.004 0.060 -37.289 1.00 0.00 C ATOM 1262 C GLU A 77 -5.919 -0.277 -38.455 1.00 0.00 C ATOM 1263 O GLU A 77 -6.009 0.470 -39.432 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.656 -0.636 -37.478 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.914 -0.226 -38.728 1.00 0.00 C ATOM 1266 CD GLU A 77 -1.710 -1.100 -38.998 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.634 -0.832 -38.420 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.834 -2.062 -39.794 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.073 -1.101 -35.556 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.856 1.139 -37.254 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.028 -0.427 -36.612 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.817 -1.714 -37.502 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.591 -0.272 -39.581 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.592 0.811 -38.632 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.609 -1.397 -38.338 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.507 -1.851 -39.370 1.00 0.00 C ATOM 1277 C ALA A 78 -8.674 -0.892 -39.523 1.00 0.00 C ATOM 1278 O ALA A 78 -9.176 -0.691 -40.627 1.00 0.00 O ATOM 1279 CB ALA A 78 -7.996 -3.253 -39.065 1.00 0.00 C ATOM 0 H ALA A 78 -6.559 -2.012 -37.526 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.965 -1.876 -40.315 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.673 -3.582 -39.853 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.145 -3.932 -39.011 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.522 -3.255 -38.110 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.088 -0.270 -38.419 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.187 0.681 -38.445 1.00 0.00 C ATOM 1287 C ILE A 79 -9.736 1.960 -39.137 1.00 0.00 C ATOM 1288 O ILE A 79 -10.496 2.584 -39.878 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.661 1.023 -37.005 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.167 -0.235 -36.300 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -11.750 2.094 -37.032 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.543 -0.021 -34.851 1.00 0.00 C ATOM 0 H ILE A 79 -8.675 -0.411 -37.497 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.017 0.230 -38.989 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.810 1.417 -36.449 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.036 -0.615 -36.837 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.397 -1.004 -36.355 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.066 2.317 -36.013 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.359 2.999 -37.497 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.603 1.731 -37.605 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.892 -0.961 -34.423 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.672 0.329 -34.297 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.337 0.724 -34.787 1.00 0.00 H new ATOM 1304 N ASP A 80 -8.478 2.324 -38.910 1.00 0.00 N ATOM 1305 CA ASP A 80 -7.902 3.527 -39.503 1.00 0.00 C ATOM 1306 C ASP A 80 -7.789 3.349 -41.002 1.00 0.00 C ATOM 1307 O ASP A 80 -7.995 4.283 -41.771 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.503 3.803 -38.938 1.00 0.00 C ATOM 1309 CG ASP A 80 -6.484 4.090 -37.453 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -6.832 5.216 -37.041 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -6.081 3.210 -36.697 1.00 0.00 O1- ATOM 0 H ASP A 80 -7.835 1.800 -38.317 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.555 4.367 -39.265 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.865 2.942 -39.139 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.070 4.652 -39.467 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.465 2.130 -41.411 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.293 1.806 -42.818 1.00 0.00 C ATOM 1318 C LYS A 81 -8.626 1.459 -43.475 1.00 0.00 C ATOM 1319 O LYS A 81 -8.694 1.271 -44.687 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.307 0.647 -42.980 1.00 0.00 C ATOM 1321 CG LYS A 81 -4.933 0.925 -42.382 1.00 0.00 C ATOM 1322 CD LYS A 81 -3.995 -0.271 -42.515 1.00 0.00 C ATOM 1323 CE LYS A 81 -4.571 -1.518 -41.858 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.575 -2.617 -41.785 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.315 1.343 -40.780 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.891 2.688 -43.317 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.725 -0.243 -42.510 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.194 0.423 -44.041 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.491 1.789 -42.878 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.042 1.184 -41.329 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.807 -0.470 -43.570 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.034 -0.031 -42.060 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.915 -1.273 -40.853 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.442 -1.855 -42.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.007 -3.447 -41.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.265 -2.869 -42.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.754 -2.305 -41.227 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.683 1.385 -42.672 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.998 1.063 -43.198 1.00 0.00 C ATOM 1340 C GLY A 82 -11.110 -0.376 -43.666 1.00 0.00 C ATOM 1341 O GLY A 82 -11.905 -0.684 -44.556 1.00 0.00 O ATOM 0 H GLY A 82 -9.652 1.543 -41.665 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.747 1.249 -42.428 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.224 1.729 -44.031 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.321 -1.254 -43.075 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.320 -2.656 -43.454 1.00 0.00 C ATOM 1347 C ASP A 83 -11.315 -3.426 -42.600 1.00 0.00 C ATOM 1348 O ASP A 83 -11.014 -3.814 -41.474 1.00 0.00 O ATOM 1349 CB ASP A 83 -8.920 -3.253 -43.303 1.00 0.00 C ATOM 1350 CG ASP A 83 -8.789 -4.612 -43.962 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.396 -5.580 -43.475 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.054 -4.721 -44.964 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.669 -1.020 -42.326 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.616 -2.734 -44.500 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.190 -2.571 -43.738 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.680 -3.343 -42.244 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.505 -3.624 -43.136 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.570 -4.300 -42.409 1.00 0.00 C ATOM 1359 C LYS A 84 -13.308 -5.800 -42.306 1.00 0.00 C ATOM 1360 O LYS A 84 -13.712 -6.447 -41.338 1.00 0.00 O ATOM 1361 CB LYS A 84 -14.928 -4.031 -43.064 1.00 0.00 C ATOM 1362 CG LYS A 84 -15.323 -2.560 -43.063 1.00 0.00 C ATOM 1363 CD LYS A 84 -16.723 -2.354 -43.618 1.00 0.00 C ATOM 1364 CE LYS A 84 -17.141 -0.892 -43.531 1.00 0.00 C ATOM 1365 NZ LYS A 84 -18.549 -0.685 -43.954 1.00 0.00 N1+ ATOM 0 H LYS A 84 -12.762 -3.326 -44.077 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.589 -3.896 -41.397 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.904 -4.392 -44.092 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.694 -4.605 -42.542 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.274 -2.171 -42.046 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.608 -1.991 -43.657 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.757 -2.683 -44.656 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.431 -2.971 -43.064 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.016 -0.540 -42.507 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.483 -0.290 -44.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.789 0.324 -43.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.665 -0.996 -44.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.181 -1.238 -43.340 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.617 -6.341 -43.303 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.315 -7.773 -43.352 1.00 0.00 C ATOM 1381 C ASP A 85 -11.474 -8.225 -42.169 1.00 0.00 C ATOM 1382 O ASP A 85 -11.806 -9.208 -41.502 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.600 -8.140 -44.654 1.00 0.00 C ATOM 1384 CG ASP A 85 -12.540 -8.296 -45.825 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -12.793 -7.298 -46.533 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.014 -9.430 -46.061 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.252 -5.809 -44.093 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.273 -8.291 -43.306 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.865 -7.370 -44.887 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.052 -9.071 -44.510 1.00 0.00 H new ATOM 1391 N SER A 86 -10.390 -7.521 -41.906 1.00 0.00 N ATOM 1392 CA SER A 86 -9.498 -7.885 -40.820 1.00 0.00 C ATOM 1393 C SER A 86 -10.135 -7.667 -39.450 1.00 0.00 C ATOM 1394 O SER A 86 -9.846 -8.406 -38.516 1.00 0.00 O ATOM 1395 CB SER A 86 -8.162 -7.140 -40.930 1.00 0.00 C ATOM 1396 OG SER A 86 -8.357 -5.747 -41.063 1.00 0.00 O ATOM 0 H SER A 86 -10.105 -6.693 -42.429 1.00 0.00 H new ATOM 0 HA SER A 86 -9.303 -8.953 -40.914 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.558 -7.341 -40.045 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.605 -7.514 -41.789 1.00 0.00 H new ATOM 0 HG SER A 86 -9.073 -5.577 -41.710 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.029 -6.683 -39.340 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.643 -6.358 -38.050 1.00 0.00 C ATOM 1404 C LEU A 87 -12.395 -7.548 -37.489 1.00 0.00 C ATOM 1405 O LEU A 87 -12.211 -7.917 -36.333 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.607 -5.178 -38.196 1.00 0.00 C ATOM 1407 CG LEU A 87 -11.973 -3.835 -38.530 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.045 -2.774 -38.725 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.018 -3.424 -37.432 1.00 0.00 C ATOM 0 H LEU A 87 -11.342 -6.103 -40.118 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.841 -6.090 -37.363 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.330 -5.420 -38.975 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.164 -5.073 -37.265 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.415 -3.934 -39.461 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.574 -1.820 -38.963 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.703 -3.068 -39.543 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.627 -2.672 -37.809 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.570 -2.462 -37.681 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.561 -3.339 -36.491 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.234 -4.174 -37.332 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.220 -8.155 -38.317 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.999 -9.316 -37.919 1.00 0.00 C ATOM 1423 C GLU A 88 -13.095 -10.462 -37.460 1.00 0.00 C ATOM 1424 O GLU A 88 -13.331 -11.075 -36.416 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.865 -9.767 -39.090 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.816 -8.692 -39.587 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.953 -8.435 -38.632 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -18.008 -9.081 -38.780 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.807 -7.589 -37.737 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.371 -7.861 -39.282 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.633 -9.037 -37.077 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.219 -10.078 -39.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.442 -10.641 -38.790 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.262 -7.766 -39.743 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.220 -8.989 -40.555 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.055 -10.722 -38.235 1.00 0.00 N ATOM 1437 CA GLN A 89 -11.121 -11.808 -37.946 1.00 0.00 C ATOM 1438 C GLN A 89 -10.313 -11.539 -36.674 1.00 0.00 C ATOM 1439 O GLN A 89 -10.181 -12.414 -35.813 1.00 0.00 O ATOM 1440 CB GLN A 89 -10.171 -11.998 -39.124 1.00 0.00 C ATOM 1441 CG GLN A 89 -10.863 -12.381 -40.420 1.00 0.00 C ATOM 1442 CD GLN A 89 -9.916 -12.376 -41.597 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -9.280 -13.380 -41.903 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -9.818 -11.246 -42.266 1.00 0.00 N ATOM 0 H GLN A 89 -11.832 -10.193 -39.078 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.705 -12.715 -37.787 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.614 -11.074 -39.281 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.444 -12.770 -38.870 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.304 -13.372 -40.315 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.681 -11.687 -40.612 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.364 -10.434 -41.979 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.196 -11.183 -43.072 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.801 -10.327 -36.556 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.965 -9.947 -35.422 1.00 0.00 C ATOM 1455 C LEU A 90 -9.766 -9.873 -34.133 1.00 0.00 C ATOM 1456 O LEU A 90 -9.273 -10.238 -33.069 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.277 -8.609 -35.689 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.317 -8.584 -36.878 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.834 -7.170 -37.139 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.138 -9.518 -36.638 1.00 0.00 C ATOM 0 H LEU A 90 -9.949 -9.581 -37.235 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.207 -10.721 -35.301 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.045 -7.852 -35.849 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.726 -8.320 -34.794 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.853 -8.934 -37.760 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.151 -7.170 -37.989 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.688 -6.529 -37.359 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.316 -6.794 -36.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.467 -9.485 -37.496 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.600 -9.202 -35.744 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.502 -10.536 -36.501 1.00 0.00 H new ATOM 1472 N LEU A 91 -11.000 -9.407 -34.235 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.852 -9.246 -33.070 1.00 0.00 C ATOM 1474 C LEU A 91 -12.125 -10.584 -32.389 1.00 0.00 C ATOM 1475 O LEU A 91 -12.031 -10.691 -31.166 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.158 -8.577 -33.467 1.00 0.00 C ATOM 1477 CG LEU A 91 -14.112 -8.244 -32.330 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.456 -7.301 -31.329 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.376 -7.633 -32.885 1.00 0.00 C ATOM 0 H LEU A 91 -11.434 -9.133 -35.116 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.329 -8.611 -32.355 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.923 -7.655 -33.999 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.677 -9.228 -34.171 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.364 -9.165 -31.805 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.158 -7.078 -30.526 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.566 -7.774 -30.913 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.174 -6.376 -31.832 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.056 -7.396 -32.066 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.131 -6.720 -33.428 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.855 -8.340 -33.562 1.00 0.00 H new ATOM 1491 N GLU A 92 -12.441 -11.603 -33.184 1.00 0.00 N ATOM 1492 CA GLU A 92 -12.686 -12.936 -32.641 1.00 0.00 C ATOM 1493 C GLU A 92 -11.424 -13.465 -31.961 1.00 0.00 C ATOM 1494 O GLU A 92 -11.488 -14.061 -30.886 1.00 0.00 O ATOM 1495 CB GLU A 92 -13.129 -13.906 -33.744 1.00 0.00 C ATOM 1496 CG GLU A 92 -14.411 -13.505 -34.466 1.00 0.00 C ATOM 1497 CD GLU A 92 -15.617 -13.414 -33.546 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -16.073 -14.463 -33.041 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -16.134 -12.294 -33.346 1.00 0.00 O1- ATOM 0 H GLU A 92 -12.533 -11.533 -34.197 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.488 -12.862 -31.906 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.327 -13.993 -34.477 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.268 -14.894 -33.306 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.260 -12.541 -34.951 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.618 -14.230 -35.254 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.274 -13.213 -32.588 1.00 0.00 N ATOM 1507 CA GLU A 93 -8.990 -13.648 -32.052 1.00 0.00 C ATOM 1508 C GLU A 93 -8.708 -12.955 -30.717 1.00 0.00 C ATOM 1509 O GLU A 93 -8.185 -13.569 -29.782 1.00 0.00 O ATOM 1510 CB GLU A 93 -7.867 -13.338 -33.049 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.531 -13.968 -32.698 1.00 0.00 C ATOM 1512 CD GLU A 93 -6.569 -15.477 -32.726 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -6.622 -16.054 -33.832 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -6.523 -16.098 -31.653 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.209 -12.707 -33.471 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.031 -14.725 -31.888 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.169 -13.682 -34.038 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.741 -12.257 -33.112 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.773 -13.615 -33.398 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.227 -13.635 -31.705 1.00 0.00 H new ATOM 1521 N LEU A 94 -9.079 -11.677 -30.631 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.882 -10.894 -29.416 1.00 0.00 C ATOM 1523 C LEU A 94 -9.639 -11.507 -28.253 1.00 0.00 C ATOM 1524 O LEU A 94 -9.100 -11.650 -27.160 1.00 0.00 O ATOM 1525 CB LEU A 94 -9.344 -9.444 -29.617 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.447 -8.559 -30.482 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -9.107 -7.211 -30.721 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -7.093 -8.370 -29.820 1.00 0.00 C ATOM 0 H LEU A 94 -9.519 -11.162 -31.394 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.815 -10.898 -29.191 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.339 -9.461 -30.062 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.441 -8.977 -28.637 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.299 -9.051 -31.443 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.456 -6.592 -31.338 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.059 -7.357 -31.231 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.279 -6.716 -29.765 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.466 -7.738 -30.448 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.226 -7.897 -28.847 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.614 -9.340 -29.689 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.893 -11.865 -28.499 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.743 -12.458 -27.472 1.00 0.00 C ATOM 1542 C GLU A 95 -11.165 -13.767 -26.954 1.00 0.00 C ATOM 1543 O GLU A 95 -11.138 -14.007 -25.749 1.00 0.00 O ATOM 1544 CB GLU A 95 -13.145 -12.702 -28.014 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.817 -11.462 -28.563 1.00 0.00 C ATOM 1546 CD GLU A 95 -15.208 -11.740 -29.050 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.349 -12.339 -30.125 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -16.170 -11.359 -28.364 1.00 0.00 O1- ATOM 0 H GLU A 95 -11.347 -11.755 -29.406 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.791 -11.751 -26.644 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.093 -13.454 -28.802 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.764 -13.116 -27.218 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.851 -10.696 -27.788 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.221 -11.060 -29.382 1.00 0.00 H new ATOM 1555 N GLN A 96 -10.682 -14.598 -27.866 1.00 0.00 N ATOM 1556 CA GLN A 96 -10.148 -15.904 -27.500 1.00 0.00 C ATOM 1557 C GLN A 96 -8.860 -15.760 -26.705 1.00 0.00 C ATOM 1558 O GLN A 96 -8.640 -16.469 -25.729 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.906 -16.750 -28.751 1.00 0.00 C ATOM 1560 CG GLN A 96 -11.128 -16.867 -29.646 1.00 0.00 C ATOM 1561 CD GLN A 96 -12.330 -17.448 -28.930 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -12.195 -18.281 -28.031 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -13.511 -17.010 -29.314 1.00 0.00 N ATOM 0 H GLN A 96 -10.648 -14.392 -28.865 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.883 -16.407 -26.872 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.087 -16.314 -29.323 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.589 -17.748 -28.450 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.384 -15.881 -30.034 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.885 -17.493 -30.504 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.581 -16.320 -30.062 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.356 -17.361 -28.863 1.00 0.00 H new ATOM 1572 N ALA A 97 -8.024 -14.825 -27.121 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.765 -14.578 -26.439 1.00 0.00 C ATOM 1574 C ALA A 97 -7.019 -13.945 -25.077 1.00 0.00 C ATOM 1575 O ALA A 97 -6.371 -14.294 -24.094 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.861 -13.695 -27.285 1.00 0.00 C ATOM 0 H ALA A 97 -8.194 -14.224 -27.928 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.259 -15.531 -26.287 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.923 -13.522 -26.757 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.656 -14.188 -28.235 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.354 -12.741 -27.470 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.988 -13.032 -25.023 1.00 0.00 N ATOM 1583 CA LEU A 98 -8.363 -12.378 -23.774 1.00 0.00 C ATOM 1584 C LEU A 98 -8.866 -13.406 -22.780 1.00 0.00 C ATOM 1585 O LEU A 98 -8.465 -13.413 -21.608 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.441 -11.303 -24.034 1.00 0.00 C ATOM 1587 CG LEU A 98 -10.092 -10.666 -22.793 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -10.333 -9.187 -23.023 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -11.412 -11.362 -22.460 1.00 0.00 C ATOM 0 H LEU A 98 -8.528 -12.729 -25.834 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.484 -11.888 -23.355 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.993 -10.508 -24.630 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.229 -11.750 -24.640 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.410 -10.787 -21.951 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.794 -8.751 -22.136 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.383 -8.690 -23.220 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.996 -9.055 -23.878 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.856 -10.897 -21.580 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.096 -11.269 -23.304 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.226 -12.417 -22.258 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.737 -14.279 -23.254 1.00 0.00 N ATOM 1602 CA GLN A 99 -10.276 -15.329 -22.440 1.00 0.00 C ATOM 1603 C GLN A 99 -9.166 -16.256 -21.962 1.00 0.00 C ATOM 1604 O GLN A 99 -9.219 -16.773 -20.845 1.00 0.00 O ATOM 1605 CB GLN A 99 -11.325 -16.112 -23.226 1.00 0.00 C ATOM 1606 CG GLN A 99 -12.014 -17.189 -22.418 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.767 -16.630 -21.224 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -13.273 -15.510 -21.258 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.825 -17.396 -20.156 1.00 0.00 N ATOM 0 H GLN A 99 -10.084 -14.272 -24.213 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.751 -14.886 -21.565 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.076 -15.418 -23.604 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.849 -16.570 -24.093 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.708 -17.731 -23.060 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.272 -17.908 -22.071 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.393 -18.320 -20.167 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.302 -17.066 -19.317 1.00 0.00 H new ATOM 1618 N LYS A 100 -8.141 -16.445 -22.791 1.00 0.00 N ATOM 1619 CA LYS A 100 -7.034 -17.304 -22.440 1.00 0.00 C ATOM 1620 C LYS A 100 -6.158 -16.681 -21.372 1.00 0.00 C ATOM 1621 O LYS A 100 -5.724 -17.362 -20.463 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.205 -17.654 -23.679 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.801 -18.778 -24.503 1.00 0.00 C ATOM 1624 CD LYS A 100 -6.733 -20.081 -23.738 1.00 0.00 C ATOM 1625 CE LYS A 100 -7.552 -21.173 -24.394 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.515 -22.426 -23.601 1.00 0.00 N1+ ATOM 0 H LYS A 100 -8.063 -16.010 -23.710 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.452 -18.223 -22.029 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.108 -16.767 -24.305 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.199 -17.936 -23.367 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.837 -18.547 -24.750 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.262 -18.873 -25.445 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.694 -20.403 -23.664 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.091 -19.922 -22.721 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.584 -20.840 -24.504 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.170 -21.364 -25.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.085 -23.155 -24.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.532 -22.755 -23.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.902 -22.248 -22.652 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.899 -15.384 -21.483 1.00 0.00 N ATOM 1641 CA ILE A 101 -5.067 -14.692 -20.504 1.00 0.00 C ATOM 1642 C ILE A 101 -5.688 -14.778 -19.114 1.00 0.00 C ATOM 1643 O ILE A 101 -5.001 -15.076 -18.135 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.851 -13.209 -20.881 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -4.148 -13.111 -22.231 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -4.024 -12.506 -19.806 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -4.032 -11.703 -22.761 1.00 0.00 C ATOM 0 H ILE A 101 -6.250 -14.792 -22.236 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.097 -15.189 -20.500 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.822 -12.719 -20.951 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.149 -13.538 -22.141 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.690 -13.718 -22.956 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.879 -11.462 -20.083 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.548 -12.558 -18.852 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.054 -12.995 -19.715 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.521 -11.718 -23.724 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.028 -11.278 -22.885 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.463 -11.095 -22.057 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.992 -14.540 -19.030 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.686 -14.634 -17.755 1.00 0.00 C ATOM 1661 C ARG A 102 -7.665 -16.080 -17.246 1.00 0.00 C ATOM 1662 O ARG A 102 -7.639 -16.328 -16.039 1.00 0.00 O ATOM 1663 CB ARG A 102 -9.122 -14.104 -17.857 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.807 -13.971 -16.505 1.00 0.00 C ATOM 1665 CD ARG A 102 -11.145 -13.255 -16.603 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.764 -13.091 -15.282 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.145 -11.916 -14.752 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -12.017 -10.787 -15.439 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -12.663 -11.870 -13.536 1.00 0.00 N ATOM 0 H ARG A 102 -7.583 -14.283 -19.821 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.161 -14.006 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.110 -13.131 -18.349 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.706 -14.773 -18.489 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.959 -14.962 -16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.155 -13.426 -15.822 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.003 -12.277 -17.064 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.814 -13.819 -17.252 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.916 -13.932 -14.725 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.626 -10.805 -16.381 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.310 -9.902 -15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.775 -12.728 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.951 -10.976 -13.138 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.659 -17.025 -18.183 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.585 -18.444 -17.859 1.00 0.00 C ATOM 1685 C GLU A 103 -6.170 -18.804 -17.391 1.00 0.00 C ATOM 1686 O GLU A 103 -5.986 -19.690 -16.555 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.992 -19.298 -19.076 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.930 -20.801 -18.834 1.00 0.00 C ATOM 1689 CD GLU A 103 -8.487 -21.608 -19.990 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -9.682 -21.980 -19.937 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -7.738 -21.894 -20.951 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.705 -16.828 -19.183 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.282 -18.656 -17.049 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.007 -19.030 -19.370 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.341 -19.049 -19.914 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.895 -21.093 -18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.487 -21.041 -17.928 1.00 0.00 H new ATOM 1698 N LEU A 104 -5.173 -18.082 -17.908 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.780 -18.313 -17.559 1.00 0.00 C ATOM 1700 C LEU A 104 -3.511 -17.785 -16.170 1.00 0.00 C ATOM 1701 O LEU A 104 -2.585 -18.216 -15.495 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.836 -17.667 -18.574 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.845 -18.285 -19.974 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.901 -17.535 -20.888 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.473 -19.762 -19.917 1.00 0.00 C ATOM 0 H LEU A 104 -5.314 -17.325 -18.577 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.593 -19.387 -17.578 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.093 -16.611 -18.661 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.820 -17.717 -18.181 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.855 -18.205 -20.376 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.919 -17.987 -21.880 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.214 -16.493 -20.958 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.889 -17.584 -20.485 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.486 -20.180 -20.924 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.475 -19.870 -19.492 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.192 -20.294 -19.294 1.00 0.00 H new ATOM 1717 N ALA A 105 -4.309 -16.802 -15.763 1.00 0.00 N ATOM 1718 CA ALA A 105 -4.233 -16.260 -14.416 1.00 0.00 C ATOM 1719 C ALA A 105 -4.625 -17.335 -13.396 1.00 0.00 C ATOM 1720 O ALA A 105 -4.360 -17.203 -12.202 1.00 0.00 O ATOM 1721 CB ALA A 105 -5.131 -15.040 -14.284 1.00 0.00 C ATOM 0 H ALA A 105 -5.018 -16.365 -16.352 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.207 -15.950 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.063 -14.646 -13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.812 -14.275 -14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -6.162 -15.323 -14.495 1.00 0.00 H new