USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 912 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 66 SER OG : rot 180:sc= -0.141 USER MOD Set 1.2: A 105 ASN : amide:sc= -9.66! C(o=-9.8!,f=-16!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -34:sc= 1.12 USER MOD Single : A 19 CYS SG : rot 54:sc= -1.74 USER MOD Single : A 24 TYR OH : rot 80:sc= 0.276 USER MOD Single : A 31 THR OG1 : rot 66:sc= -3.55! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 144:sc= -2.16! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.144) USER MOD Single : A 65 ASN : amide:sc= -4.29 K(o=-4.3,f=-8.3!) USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -7.28! (180deg=-13!) USER MOD Single : A 77 TYR OH : rot 89:sc= 0.402 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 177:sc= -1.13 USER MOD Single : A 90 LYS NZ :NH3+ -105:sc= -2.23! (180deg=-6.81!) USER MOD Single : A 91 THR OG1 : rot 70:sc= -2.72! USER MOD Single : A 94 SER OG : rot 170:sc= -0.875! USER MOD Single : A 102 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -4.116 6.684 -11.235 1.00 0.00 N ATOM 103 CA MET A 8 -2.838 7.167 -10.722 1.00 0.00 C ATOM 104 C MET A 8 -2.069 6.044 -10.038 1.00 0.00 C ATOM 105 O MET A 8 -2.509 5.504 -9.024 1.00 0.00 O ATOM 106 CB MET A 8 -3.055 8.325 -9.745 1.00 0.00 C ATOM 107 CG MET A 8 -1.958 9.378 -9.797 1.00 0.00 C ATOM 108 SD MET A 8 -2.518 10.933 -10.521 1.00 0.00 S ATOM 109 CE MET A 8 -1.384 11.095 -11.896 1.00 0.00 C ATOM 0 HA MET A 8 -2.249 7.525 -11.567 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.012 8.798 -9.962 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.118 7.928 -8.732 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.590 9.564 -8.788 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.119 8.994 -10.377 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.604 12.012 -12.443 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.361 11.132 -11.521 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.495 10.240 -12.562 1.00 0.00 H new ATOM 119 N ARG A 9 -0.920 5.685 -10.606 1.00 0.00 N ATOM 120 CA ARG A 9 -0.099 4.609 -10.051 1.00 0.00 C ATOM 121 C ARG A 9 1.247 5.112 -9.538 1.00 0.00 C ATOM 122 O ARG A 9 1.857 6.012 -10.119 1.00 0.00 O ATOM 123 CB ARG A 9 0.106 3.507 -11.097 1.00 0.00 C ATOM 124 CG ARG A 9 1.260 3.763 -12.058 1.00 0.00 C ATOM 125 CD ARG A 9 2.507 2.996 -11.645 1.00 0.00 C ATOM 126 NE ARG A 9 3.357 2.680 -12.791 1.00 0.00 N ATOM 127 CZ ARG A 9 4.463 1.944 -12.714 1.00 0.00 C ATOM 128 NH1 ARG A 9 4.858 1.446 -11.548 1.00 0.00 N ATOM 129 NH2 ARG A 9 5.176 1.703 -13.806 1.00 0.00 N ATOM 0 H ARG A 9 -0.537 6.120 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.636 4.200 -9.195 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.279 2.562 -10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.813 3.393 -11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.968 3.469 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.481 4.830 -12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.074 3.586 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.216 2.073 -11.143 1.00 0.00 H new ATOM 0 HE ARG A 9 3.086 3.045 -13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.313 1.627 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.707 0.883 -11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.877 2.082 -14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.024 1.139 -13.747 1.00 0.00 H new ATOM 143 N LEU A 10 1.714 4.488 -8.459 1.00 0.00 N ATOM 144 CA LEU A 10 3.007 4.825 -7.866 1.00 0.00 C ATOM 145 C LEU A 10 3.890 3.584 -7.832 1.00 0.00 C ATOM 146 O LEU A 10 3.405 2.464 -7.980 1.00 0.00 O ATOM 147 CB LEU A 10 2.873 5.405 -6.441 1.00 0.00 C ATOM 148 CG LEU A 10 1.449 5.556 -5.894 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.467 5.699 -4.372 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.766 6.759 -6.524 1.00 0.00 C ATOM 0 H LEU A 10 1.214 3.742 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 10 3.459 5.597 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.434 4.767 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.350 6.385 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 10 0.888 4.658 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.446 5.805 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.922 4.813 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.045 6.581 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.244 6.854 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.333 7.661 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.719 6.626 -7.605 1.00 0.00 H new ATOM 162 N ARG A 11 5.187 3.786 -7.640 1.00 0.00 N ATOM 163 CA ARG A 11 6.125 2.677 -7.592 1.00 0.00 C ATOM 164 C ARG A 11 6.577 2.407 -6.159 1.00 0.00 C ATOM 165 O ARG A 11 6.740 3.334 -5.364 1.00 0.00 O ATOM 166 CB ARG A 11 7.337 2.968 -8.480 1.00 0.00 C ATOM 167 CG ARG A 11 7.688 1.829 -9.425 1.00 0.00 C ATOM 168 CD ARG A 11 7.903 0.525 -8.673 1.00 0.00 C ATOM 169 NE ARG A 11 8.887 -0.332 -9.331 1.00 0.00 N ATOM 170 CZ ARG A 11 10.175 -0.021 -9.454 1.00 0.00 C ATOM 171 NH1 ARG A 11 10.638 1.122 -8.964 1.00 0.00 N ATOM 172 NH2 ARG A 11 11.002 -0.857 -10.066 1.00 0.00 N ATOM 0 H ARG A 11 5.611 4.705 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 11 5.618 1.787 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.141 3.867 -9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.198 3.182 -7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.889 1.701 -10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.590 2.082 -9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.234 0.743 -7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.955 -0.007 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 11 8.568 -1.220 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.006 1.767 -8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.626 1.355 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.651 -1.738 -10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.989 -0.620 -10.161 1.00 0.00 H new ATOM 186 N ILE A 12 6.788 1.135 -5.838 1.00 0.00 N ATOM 187 CA ILE A 12 7.233 0.740 -4.511 1.00 0.00 C ATOM 188 C ILE A 12 8.151 -0.471 -4.623 1.00 0.00 C ATOM 189 O ILE A 12 7.696 -1.601 -4.794 1.00 0.00 O ATOM 190 CB ILE A 12 6.027 0.453 -3.572 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.742 1.682 -2.709 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.265 -0.765 -2.686 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.395 1.636 -2.020 1.00 0.00 C ATOM 0 H ILE A 12 6.656 0.357 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 12 7.791 1.564 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 12 5.164 0.233 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.524 1.776 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.792 2.574 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.396 -0.926 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.424 -1.644 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.145 -0.597 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.260 2.539 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.605 1.573 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.349 0.763 -1.369 1.00 0.00 H new ATOM 205 N ARG A 13 9.453 -0.215 -4.558 1.00 0.00 N ATOM 206 CA ARG A 13 10.443 -1.278 -4.683 1.00 0.00 C ATOM 207 C ARG A 13 11.132 -1.570 -3.355 1.00 0.00 C ATOM 208 O ARG A 13 11.199 -0.720 -2.469 1.00 0.00 O ATOM 209 CB ARG A 13 11.489 -0.913 -5.740 1.00 0.00 C ATOM 210 CG ARG A 13 12.211 0.397 -5.462 1.00 0.00 C ATOM 211 CD ARG A 13 12.970 0.884 -6.685 1.00 0.00 C ATOM 212 NE ARG A 13 14.392 0.563 -6.611 1.00 0.00 N ATOM 213 CZ ARG A 13 15.215 0.593 -7.656 1.00 0.00 C ATOM 214 NH1 ARG A 13 14.759 0.929 -8.858 1.00 0.00 N ATOM 215 NH2 ARG A 13 16.496 0.287 -7.502 1.00 0.00 N ATOM 0 H ARG A 13 9.846 0.716 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 13 9.913 -2.179 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.224 -1.716 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.002 -0.849 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.489 1.154 -5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.904 0.263 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.543 0.432 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.847 1.963 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 13 14.778 0.300 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.775 1.165 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.393 0.951 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.851 0.028 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.126 0.310 -8.304 1.00 0.00 H new ATOM 229 N PHE A 14 11.652 -2.785 -3.243 1.00 0.00 N ATOM 230 CA PHE A 14 12.361 -3.226 -2.052 1.00 0.00 C ATOM 231 C PHE A 14 13.731 -3.758 -2.454 1.00 0.00 C ATOM 232 O PHE A 14 13.881 -4.362 -3.515 1.00 0.00 O ATOM 233 CB PHE A 14 11.564 -4.317 -1.324 1.00 0.00 C ATOM 234 CG PHE A 14 10.675 -3.807 -0.216 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.809 -2.742 -0.426 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.700 -4.404 1.037 1.00 0.00 C ATOM 237 CE1 PHE A 14 8.990 -2.285 0.589 1.00 0.00 C ATOM 238 CE2 PHE A 14 9.883 -3.947 2.055 1.00 0.00 C ATOM 239 CZ PHE A 14 9.028 -2.888 1.829 1.00 0.00 C ATOM 0 H PHE A 14 11.593 -3.492 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 14 12.481 -2.382 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.949 -4.847 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.262 -5.043 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.775 -2.265 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.365 -5.235 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.321 -1.456 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.914 -4.419 3.026 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.389 -2.531 2.623 1.00 0.00 H new ATOM 249 N GLU A 15 14.729 -3.512 -1.617 1.00 0.00 N ATOM 250 CA GLU A 15 16.098 -3.951 -1.897 1.00 0.00 C ATOM 251 C GLU A 15 16.150 -5.373 -2.457 1.00 0.00 C ATOM 252 O GLU A 15 17.073 -5.721 -3.195 1.00 0.00 O ATOM 253 CB GLU A 15 16.959 -3.880 -0.631 1.00 0.00 C ATOM 254 CG GLU A 15 17.817 -2.627 -0.530 1.00 0.00 C ATOM 255 CD GLU A 15 17.137 -1.391 -1.089 1.00 0.00 C ATOM 256 OE1 GLU A 15 16.029 -1.057 -0.616 1.00 0.00 O ATOM 257 OE2 GLU A 15 17.710 -0.758 -2.001 1.00 0.00 O ATOM 0 H GLU A 15 14.621 -3.010 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 15 16.492 -3.272 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.308 -3.932 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.608 -4.755 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.072 -2.452 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.753 -2.791 -1.063 1.00 0.00 H new ATOM 264 N SER A 16 15.177 -6.195 -2.090 1.00 0.00 N ATOM 265 CA SER A 16 15.145 -7.582 -2.545 1.00 0.00 C ATOM 266 C SER A 16 13.860 -7.906 -3.306 1.00 0.00 C ATOM 267 O SER A 16 13.469 -9.071 -3.390 1.00 0.00 O ATOM 268 CB SER A 16 15.286 -8.526 -1.351 1.00 0.00 C ATOM 269 OG SER A 16 15.285 -9.882 -1.770 1.00 0.00 O ATOM 0 H SER A 16 14.402 -5.930 -1.482 1.00 0.00 H new ATOM 0 HA SER A 16 15.982 -7.721 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.211 -8.307 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.467 -8.358 -0.651 1.00 0.00 H new ATOM 0 HG SER A 16 14.697 -9.984 -2.547 1.00 0.00 H new ATOM 275 N ALA A 17 13.203 -6.889 -3.862 1.00 0.00 N ATOM 276 CA ALA A 17 11.963 -7.132 -4.611 1.00 0.00 C ATOM 277 C ALA A 17 11.423 -5.868 -5.281 1.00 0.00 C ATOM 278 O ALA A 17 11.682 -4.754 -4.832 1.00 0.00 O ATOM 279 CB ALA A 17 10.902 -7.737 -3.695 1.00 0.00 C ATOM 0 H ALA A 17 13.495 -5.913 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 17 12.204 -7.837 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.988 -7.912 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.265 -8.682 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.694 -7.049 -2.875 1.00 0.00 H new ATOM 285 N GLU A 18 10.661 -6.062 -6.360 1.00 0.00 N ATOM 286 CA GLU A 18 10.062 -4.950 -7.106 1.00 0.00 C ATOM 287 C GLU A 18 8.557 -5.162 -7.273 1.00 0.00 C ATOM 288 O GLU A 18 8.104 -6.290 -7.464 1.00 0.00 O ATOM 289 CB GLU A 18 10.726 -4.815 -8.478 1.00 0.00 C ATOM 290 CG GLU A 18 10.585 -6.055 -9.346 1.00 0.00 C ATOM 291 CD GLU A 18 11.010 -5.813 -10.782 1.00 0.00 C ATOM 292 OE1 GLU A 18 10.786 -4.692 -11.285 1.00 0.00 O ATOM 293 OE2 GLU A 18 11.566 -6.743 -11.401 1.00 0.00 O ATOM 0 H GLU A 18 10.443 -6.983 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 18 10.223 -4.032 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.290 -3.964 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.785 -4.596 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.186 -6.860 -8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.548 -6.390 -9.329 1.00 0.00 H new ATOM 300 N CYS A 19 7.779 -4.078 -7.198 1.00 0.00 N ATOM 301 CA CYS A 19 6.320 -4.185 -7.341 1.00 0.00 C ATOM 302 C CYS A 19 5.679 -2.825 -7.635 1.00 0.00 C ATOM 303 O CYS A 19 6.175 -1.788 -7.196 1.00 0.00 O ATOM 304 CB CYS A 19 5.682 -4.797 -6.077 1.00 0.00 C ATOM 305 SG CYS A 19 6.811 -5.017 -4.677 1.00 0.00 S ATOM 0 H CYS A 19 8.125 -3.131 -7.042 1.00 0.00 H new ATOM 0 HA CYS A 19 6.132 -4.844 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.856 -4.160 -5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.256 -5.766 -6.336 1.00 0.00 H new ATOM 0 HG CYS A 19 7.396 -3.887 -4.410 1.00 0.00 H new ATOM 311 N GLU A 20 4.564 -2.841 -8.376 1.00 0.00 N ATOM 312 CA GLU A 20 3.848 -1.613 -8.718 1.00 0.00 C ATOM 313 C GLU A 20 2.407 -1.681 -8.216 1.00 0.00 C ATOM 314 O GLU A 20 1.878 -2.768 -7.980 1.00 0.00 O ATOM 315 CB GLU A 20 3.865 -1.385 -10.235 1.00 0.00 C ATOM 316 CG GLU A 20 5.095 -1.945 -10.929 1.00 0.00 C ATOM 317 CD GLU A 20 5.261 -1.418 -12.341 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.237 -1.265 -13.039 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.413 -1.161 -12.747 1.00 0.00 O ATOM 0 H GLU A 20 4.141 -3.691 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 20 4.351 -0.776 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.976 -1.840 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.805 -0.315 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.981 -1.695 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.028 -3.033 -10.957 1.00 0.00 H new ATOM 326 N VAL A 21 1.777 -0.521 -8.045 1.00 0.00 N ATOM 327 CA VAL A 21 0.400 -0.469 -7.562 1.00 0.00 C ATOM 328 C VAL A 21 -0.303 0.810 -8.019 1.00 0.00 C ATOM 329 O VAL A 21 0.301 1.881 -8.072 1.00 0.00 O ATOM 330 CB VAL A 21 0.338 -0.592 -6.012 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.737 -0.668 -5.419 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.448 0.552 -5.381 1.00 0.00 C ATOM 0 H VAL A 21 2.195 0.390 -8.232 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.124 -1.321 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.189 -1.518 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.668 -0.754 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.255 -1.539 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.291 0.234 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.466 0.427 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.028 1.501 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.468 0.547 -5.764 1.00 0.00 H new ATOM 342 N GLU A 22 -1.588 0.684 -8.342 1.00 0.00 N ATOM 343 CA GLU A 22 -2.390 1.819 -8.790 1.00 0.00 C ATOM 344 C GLU A 22 -3.105 2.467 -7.609 1.00 0.00 C ATOM 345 O GLU A 22 -2.930 2.046 -6.466 1.00 0.00 O ATOM 346 CB GLU A 22 -3.405 1.373 -9.843 1.00 0.00 C ATOM 347 CG GLU A 22 -2.870 1.432 -11.265 1.00 0.00 C ATOM 348 CD GLU A 22 -3.171 0.175 -12.056 1.00 0.00 C ATOM 349 OE1 GLU A 22 -4.060 -0.595 -11.633 1.00 0.00 O ATOM 350 OE2 GLU A 22 -2.518 -0.042 -13.100 1.00 0.00 O ATOM 0 H GLU A 22 -2.098 -0.198 -8.301 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.723 2.555 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.719 0.353 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.292 2.002 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.304 2.291 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.792 1.589 -11.237 1.00 0.00 H new ATOM 357 N LEU A 23 -3.903 3.497 -7.879 1.00 0.00 N ATOM 358 CA LEU A 23 -4.626 4.188 -6.819 1.00 0.00 C ATOM 359 C LEU A 23 -5.908 4.820 -7.355 1.00 0.00 C ATOM 360 O LEU A 23 -5.932 5.365 -8.458 1.00 0.00 O ATOM 361 CB LEU A 23 -3.720 5.250 -6.174 1.00 0.00 C ATOM 362 CG LEU A 23 -4.428 6.347 -5.364 1.00 0.00 C ATOM 363 CD1 LEU A 23 -4.752 5.860 -3.959 1.00 0.00 C ATOM 364 CD2 LEU A 23 -3.561 7.595 -5.303 1.00 0.00 C ATOM 0 H LEU A 23 -4.064 3.868 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.909 3.460 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.012 4.743 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.138 5.728 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.365 6.591 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.253 6.654 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.406 4.990 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.829 5.587 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.073 8.366 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.611 7.355 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.377 7.960 -6.313 1.00 0.00 H new ATOM 376 N TYR A 24 -6.970 4.741 -6.560 1.00 0.00 N ATOM 377 CA TYR A 24 -8.261 5.306 -6.948 1.00 0.00 C ATOM 378 C TYR A 24 -8.723 6.352 -5.934 1.00 0.00 C ATOM 379 O TYR A 24 -8.496 6.210 -4.733 1.00 0.00 O ATOM 380 CB TYR A 24 -9.313 4.198 -7.095 1.00 0.00 C ATOM 381 CG TYR A 24 -8.881 3.069 -8.006 1.00 0.00 C ATOM 382 CD1 TYR A 24 -8.175 3.324 -9.175 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.180 1.749 -7.696 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.780 2.295 -10.009 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.789 0.714 -8.523 1.00 0.00 C ATOM 386 CZ TYR A 24 -8.090 0.993 -9.678 1.00 0.00 C ATOM 387 OH TYR A 24 -7.698 -0.033 -10.507 1.00 0.00 O ATOM 0 H TYR A 24 -6.964 4.292 -5.644 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.140 5.797 -7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.541 3.792 -6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.235 4.633 -7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.931 4.343 -9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.728 1.528 -6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.232 2.510 -10.914 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.029 -0.307 -8.266 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.754 -0.240 -10.347 1.00 0.00 H new ATOM 397 N GLU A 25 -9.358 7.411 -6.433 1.00 0.00 N ATOM 398 CA GLU A 25 -9.841 8.500 -5.580 1.00 0.00 C ATOM 399 C GLU A 25 -10.866 8.038 -4.540 1.00 0.00 C ATOM 400 O GLU A 25 -11.251 8.818 -3.668 1.00 0.00 O ATOM 401 CB GLU A 25 -10.443 9.626 -6.422 1.00 0.00 C ATOM 402 CG GLU A 25 -9.490 10.201 -7.461 1.00 0.00 C ATOM 403 CD GLU A 25 -8.048 10.239 -6.992 1.00 0.00 C ATOM 404 OE1 GLU A 25 -7.466 9.156 -6.772 1.00 0.00 O ATOM 405 OE2 GLU A 25 -7.500 11.352 -6.847 1.00 0.00 O ATOM 0 H GLU A 25 -9.551 7.540 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.968 8.867 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.333 9.251 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.768 10.428 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.554 9.606 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.809 11.211 -7.717 1.00 0.00 H new ATOM 412 N GLU A 26 -11.324 6.790 -4.633 1.00 0.00 N ATOM 413 CA GLU A 26 -12.321 6.275 -3.691 1.00 0.00 C ATOM 414 C GLU A 26 -11.967 6.654 -2.252 1.00 0.00 C ATOM 415 O GLU A 26 -12.851 6.849 -1.418 1.00 0.00 O ATOM 416 CB GLU A 26 -12.439 4.751 -3.821 1.00 0.00 C ATOM 417 CG GLU A 26 -11.261 3.987 -3.233 1.00 0.00 C ATOM 418 CD GLU A 26 -11.330 2.500 -3.518 1.00 0.00 C ATOM 419 OE1 GLU A 26 -12.219 1.828 -2.954 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.496 2.007 -4.306 1.00 0.00 O ATOM 0 H GLU A 26 -11.025 6.121 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.281 6.728 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.354 4.424 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.536 4.493 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.333 4.388 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.231 4.146 -2.155 1.00 0.00 H new ATOM 427 N TRP A 27 -10.673 6.792 -1.977 1.00 0.00 N ATOM 428 CA TRP A 27 -10.211 7.189 -0.656 1.00 0.00 C ATOM 429 C TRP A 27 -10.429 8.692 -0.484 1.00 0.00 C ATOM 430 O TRP A 27 -11.093 9.126 0.456 1.00 0.00 O ATOM 431 CB TRP A 27 -8.732 6.813 -0.482 1.00 0.00 C ATOM 432 CG TRP A 27 -8.044 7.483 0.671 1.00 0.00 C ATOM 433 CD1 TRP A 27 -6.721 7.810 0.745 1.00 0.00 C ATOM 434 CD2 TRP A 27 -8.630 7.899 1.913 1.00 0.00 C ATOM 435 NE1 TRP A 27 -6.448 8.405 1.952 1.00 0.00 N ATOM 436 CE2 TRP A 27 -7.601 8.472 2.685 1.00 0.00 C ATOM 437 CE3 TRP A 27 -9.921 7.849 2.447 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -7.825 8.988 3.959 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -10.139 8.363 3.711 1.00 0.00 C ATOM 440 CH2 TRP A 27 -9.096 8.925 4.455 1.00 0.00 C ATOM 0 H TRP A 27 -9.927 6.634 -2.654 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.778 6.664 0.113 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.659 5.733 -0.353 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.198 7.061 -1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -5.994 7.627 -0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -5.534 8.742 2.253 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.733 7.416 1.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.021 9.423 4.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -11.133 8.330 4.132 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -9.300 9.317 5.441 1.00 0.00 H new ATOM 451 N ALA A 28 -9.898 9.479 -1.425 1.00 0.00 N ATOM 452 CA ALA A 28 -10.061 10.937 -1.401 1.00 0.00 C ATOM 453 C ALA A 28 -9.040 11.638 -2.300 1.00 0.00 C ATOM 454 O ALA A 28 -7.836 11.566 -2.054 1.00 0.00 O ATOM 455 CB ALA A 28 -9.964 11.484 0.023 1.00 0.00 C ATOM 0 H ALA A 28 -9.352 9.131 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.058 11.147 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.089 12.567 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.746 11.038 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.988 11.238 0.442 1.00 0.00 H new ATOM 461 N PRO A 29 -9.508 12.332 -3.360 1.00 0.00 N ATOM 462 CA PRO A 29 -8.626 13.045 -4.288 1.00 0.00 C ATOM 463 C PRO A 29 -7.582 13.898 -3.565 1.00 0.00 C ATOM 464 O PRO A 29 -6.456 14.049 -4.039 1.00 0.00 O ATOM 465 CB PRO A 29 -9.570 13.949 -5.100 1.00 0.00 C ATOM 466 CG PRO A 29 -10.954 13.714 -4.577 1.00 0.00 C ATOM 467 CD PRO A 29 -10.925 12.468 -3.734 1.00 0.00 C ATOM 0 HA PRO A 29 -8.060 12.345 -4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.289 14.997 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.513 13.712 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.288 14.567 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.659 13.601 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.563 12.564 -2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.277 11.600 -4.291 1.00 0.00 H new ATOM 475 N GLU A 30 -7.967 14.464 -2.422 1.00 0.00 N ATOM 476 CA GLU A 30 -7.072 15.309 -1.642 1.00 0.00 C ATOM 477 C GLU A 30 -5.934 14.497 -1.030 1.00 0.00 C ATOM 478 O GLU A 30 -4.798 14.967 -0.954 1.00 0.00 O ATOM 479 CB GLU A 30 -7.851 16.030 -0.539 1.00 0.00 C ATOM 480 CG GLU A 30 -6.983 16.934 0.313 1.00 0.00 C ATOM 481 CD GLU A 30 -7.202 16.729 1.799 1.00 0.00 C ATOM 482 OE1 GLU A 30 -7.277 15.559 2.232 1.00 0.00 O ATOM 483 OE2 GLU A 30 -7.301 17.737 2.530 1.00 0.00 O ATOM 0 H GLU A 30 -8.896 14.350 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.638 16.047 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.646 16.622 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.331 15.290 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.935 16.752 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.191 17.974 0.060 1.00 0.00 H new ATOM 490 N THR A 31 -6.239 13.280 -0.596 1.00 0.00 N ATOM 491 CA THR A 31 -5.222 12.413 0.007 1.00 0.00 C ATOM 492 C THR A 31 -4.213 11.971 -1.046 1.00 0.00 C ATOM 493 O THR A 31 -3.005 11.988 -0.811 1.00 0.00 O ATOM 494 CB THR A 31 -5.868 11.190 0.674 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.234 11.085 0.312 1.00 0.00 O ATOM 496 CG2 THR A 31 -5.797 11.215 2.190 1.00 0.00 C ATOM 0 H THR A 31 -7.172 12.870 -0.647 1.00 0.00 H new ATOM 0 HA THR A 31 -4.701 12.983 0.776 1.00 0.00 H new ATOM 0 HB THR A 31 -5.294 10.335 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.305 10.901 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.273 10.320 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.754 11.244 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.313 12.099 2.564 1.00 0.00 H new ATOM 504 N VAL A 32 -4.718 11.587 -2.215 1.00 0.00 N ATOM 505 CA VAL A 32 -3.866 11.154 -3.317 1.00 0.00 C ATOM 506 C VAL A 32 -2.753 12.167 -3.569 1.00 0.00 C ATOM 507 O VAL A 32 -1.615 11.798 -3.858 1.00 0.00 O ATOM 508 CB VAL A 32 -4.686 10.968 -4.611 1.00 0.00 C ATOM 509 CG1 VAL A 32 -3.794 10.522 -5.761 1.00 0.00 C ATOM 510 CG2 VAL A 32 -5.819 9.976 -4.387 1.00 0.00 C ATOM 0 H VAL A 32 -5.716 11.567 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.426 10.197 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.122 11.930 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.396 10.398 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.026 11.275 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.321 9.573 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.387 9.857 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.405 9.013 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.477 10.347 -3.601 1.00 0.00 H new ATOM 520 N ARG A 33 -3.096 13.447 -3.456 1.00 0.00 N ATOM 521 CA ARG A 33 -2.131 14.522 -3.669 1.00 0.00 C ATOM 522 C ARG A 33 -0.927 14.377 -2.740 1.00 0.00 C ATOM 523 O ARG A 33 0.202 14.693 -3.120 1.00 0.00 O ATOM 524 CB ARG A 33 -2.798 15.885 -3.451 1.00 0.00 C ATOM 525 CG ARG A 33 -2.044 17.049 -4.080 1.00 0.00 C ATOM 526 CD ARG A 33 -2.713 18.377 -3.768 1.00 0.00 C ATOM 527 NE ARG A 33 -2.001 19.120 -2.731 1.00 0.00 N ATOM 528 CZ ARG A 33 -2.518 20.157 -2.075 1.00 0.00 C ATOM 529 NH1 ARG A 33 -3.748 20.575 -2.344 1.00 0.00 N ATOM 530 NH2 ARG A 33 -1.802 20.777 -1.147 1.00 0.00 N ATOM 0 H ARG A 33 -4.035 13.766 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.778 14.455 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.807 15.854 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.895 16.064 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.018 17.061 -3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.993 16.910 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.763 18.979 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.739 18.199 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.053 18.827 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.303 20.101 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.139 21.370 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.856 20.459 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.197 21.571 -0.644 1.00 0.00 H new ATOM 544 N ALA A 34 -1.169 13.895 -1.522 1.00 0.00 N ATOM 545 CA ALA A 34 -0.098 13.709 -0.547 1.00 0.00 C ATOM 546 C ALA A 34 0.853 12.604 -0.985 1.00 0.00 C ATOM 547 O ALA A 34 2.071 12.775 -0.961 1.00 0.00 O ATOM 548 CB ALA A 34 -0.673 13.404 0.825 1.00 0.00 C ATOM 0 H ALA A 34 -2.095 13.627 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 34 0.469 14.638 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.140 13.269 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.304 14.232 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.268 12.492 0.776 1.00 0.00 H new ATOM 554 N ILE A 35 0.291 11.473 -1.402 1.00 0.00 N ATOM 555 CA ILE A 35 1.109 10.352 -1.860 1.00 0.00 C ATOM 556 C ILE A 35 2.016 10.817 -3.001 1.00 0.00 C ATOM 557 O ILE A 35 3.224 10.585 -2.981 1.00 0.00 O ATOM 558 CB ILE A 35 0.269 9.150 -2.361 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.193 9.254 -1.920 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.876 7.846 -1.866 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.374 9.263 -0.417 1.00 0.00 C ATOM 0 H ILE A 35 -0.715 11.308 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 35 1.688 10.016 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 35 0.285 9.166 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.625 10.165 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.751 8.417 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.278 7.008 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.894 7.752 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.891 7.842 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.435 9.339 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.973 8.341 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.845 10.116 0.008 1.00 0.00 H new ATOM 573 N ALA A 36 1.419 11.497 -3.993 1.00 0.00 N ATOM 574 CA ALA A 36 2.172 12.013 -5.127 1.00 0.00 C ATOM 575 C ALA A 36 3.187 13.047 -4.660 1.00 0.00 C ATOM 576 O ALA A 36 4.243 13.215 -5.260 1.00 0.00 O ATOM 577 CB ALA A 36 1.232 12.618 -6.158 1.00 0.00 C ATOM 0 H ALA A 36 0.419 11.697 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 36 2.708 11.186 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.811 12.999 -6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.539 11.854 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.671 13.435 -5.704 1.00 0.00 H new ATOM 583 N ASP A 37 2.864 13.742 -3.574 1.00 0.00 N ATOM 584 CA ASP A 37 3.773 14.746 -3.031 1.00 0.00 C ATOM 585 C ASP A 37 5.000 14.078 -2.406 1.00 0.00 C ATOM 586 O ASP A 37 6.070 14.679 -2.314 1.00 0.00 O ATOM 587 CB ASP A 37 3.057 15.605 -1.986 1.00 0.00 C ATOM 588 CG ASP A 37 3.726 16.951 -1.788 1.00 0.00 C ATOM 589 OD1 ASP A 37 4.932 17.064 -2.091 1.00 0.00 O ATOM 590 OD2 ASP A 37 3.044 17.890 -1.328 1.00 0.00 O ATOM 0 H ASP A 37 1.991 13.631 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 37 4.102 15.387 -3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.022 15.758 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.032 15.071 -1.036 1.00 0.00 H new ATOM 595 N ALA A 38 4.828 12.831 -1.974 1.00 0.00 N ATOM 596 CA ALA A 38 5.892 12.062 -1.349 1.00 0.00 C ATOM 597 C ALA A 38 6.550 11.092 -2.336 1.00 0.00 C ATOM 598 O ALA A 38 6.673 9.898 -2.059 1.00 0.00 O ATOM 599 CB ALA A 38 5.325 11.305 -0.157 1.00 0.00 C ATOM 0 H ALA A 38 3.944 12.328 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 38 6.667 12.752 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.118 10.726 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.914 12.014 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.537 10.632 -0.495 1.00 0.00 H new ATOM 605 N LEU A 39 6.987 11.617 -3.480 1.00 0.00 N ATOM 606 CA LEU A 39 7.653 10.802 -4.505 1.00 0.00 C ATOM 607 C LEU A 39 8.951 10.196 -3.926 1.00 0.00 C ATOM 608 O LEU A 39 9.054 10.094 -2.707 1.00 0.00 O ATOM 609 CB LEU A 39 7.880 11.635 -5.775 1.00 0.00 C ATOM 610 CG LEU A 39 6.611 12.228 -6.403 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.858 12.558 -7.867 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.431 11.267 -6.278 1.00 0.00 C ATOM 0 H LEU A 39 6.894 12.603 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 39 7.018 9.965 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.564 12.450 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.375 11.009 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 39 6.363 13.142 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.952 12.978 -8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.668 13.283 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.132 11.650 -8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.547 11.715 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.667 10.333 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.236 11.066 -5.225 1.00 0.00 H new ATOM 624 N PRO A 40 9.956 9.745 -4.742 1.00 0.00 N ATOM 625 CA PRO A 40 11.179 9.138 -4.211 1.00 0.00 C ATOM 626 C PRO A 40 11.563 9.627 -2.818 1.00 0.00 C ATOM 627 O PRO A 40 12.036 10.752 -2.642 1.00 0.00 O ATOM 628 CB PRO A 40 12.218 9.542 -5.242 1.00 0.00 C ATOM 629 CG PRO A 40 11.476 9.517 -6.538 1.00 0.00 C ATOM 630 CD PRO A 40 10.012 9.761 -6.222 1.00 0.00 C ATOM 0 HA PRO A 40 11.070 8.062 -4.073 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.622 10.533 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.060 8.850 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.856 10.283 -7.214 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.607 8.557 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.671 10.715 -6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.376 8.988 -6.654 1.00 0.00 H new ATOM 638 N ILE A 41 11.357 8.756 -1.836 1.00 0.00 N ATOM 639 CA ILE A 41 11.674 9.053 -0.446 1.00 0.00 C ATOM 640 C ILE A 41 12.089 7.769 0.268 1.00 0.00 C ATOM 641 O ILE A 41 11.646 6.680 -0.096 1.00 0.00 O ATOM 642 CB ILE A 41 10.472 9.706 0.285 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.297 11.159 -0.168 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.657 9.651 1.797 1.00 0.00 C ATOM 645 CD1 ILE A 41 9.179 11.894 0.548 1.00 0.00 C ATOM 0 H ILE A 41 10.966 7.825 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 41 12.498 9.766 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 41 9.575 9.143 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.232 11.695 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.101 11.174 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.800 10.115 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.737 8.612 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.566 10.186 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.117 12.916 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.233 11.383 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.383 11.912 1.619 1.00 0.00 H new ATOM 657 N LYS A 42 12.950 7.893 1.270 1.00 0.00 N ATOM 658 CA LYS A 42 13.427 6.726 2.006 1.00 0.00 C ATOM 659 C LYS A 42 12.479 6.346 3.140 1.00 0.00 C ATOM 660 O LYS A 42 11.989 7.203 3.875 1.00 0.00 O ATOM 661 CB LYS A 42 14.830 6.985 2.559 1.00 0.00 C ATOM 662 CG LYS A 42 15.933 6.317 1.750 1.00 0.00 C ATOM 663 CD LYS A 42 17.082 7.273 1.468 1.00 0.00 C ATOM 664 CE LYS A 42 18.260 7.017 2.395 1.00 0.00 C ATOM 665 NZ LYS A 42 19.442 7.846 2.034 1.00 0.00 N ATOM 0 H LYS A 42 13.331 8.783 1.591 1.00 0.00 H new ATOM 0 HA LYS A 42 13.463 5.889 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.009 8.060 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.878 6.629 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.307 5.449 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.523 5.952 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.402 7.163 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.740 8.301 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.966 7.232 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.531 5.962 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.223 7.642 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.739 7.623 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.192 8.853 2.097 1.00 0.00 H new ATOM 679 N SER A 43 12.233 5.045 3.273 1.00 0.00 N ATOM 680 CA SER A 43 11.355 4.518 4.309 1.00 0.00 C ATOM 681 C SER A 43 11.854 3.155 4.786 1.00 0.00 C ATOM 682 O SER A 43 12.450 2.404 4.017 1.00 0.00 O ATOM 683 CB SER A 43 9.917 4.404 3.794 1.00 0.00 C ATOM 684 OG SER A 43 9.680 3.148 3.187 1.00 0.00 O ATOM 0 H SER A 43 12.636 4.330 2.667 1.00 0.00 H new ATOM 0 HA SER A 43 11.366 5.210 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.221 4.546 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.723 5.199 3.074 1.00 0.00 H new ATOM 0 HG SER A 43 8.765 2.857 3.384 1.00 0.00 H new ATOM 690 N THR A 44 11.609 2.839 6.056 1.00 0.00 N ATOM 691 CA THR A 44 12.045 1.558 6.614 1.00 0.00 C ATOM 692 C THR A 44 10.868 0.591 6.692 1.00 0.00 C ATOM 693 O THR A 44 9.790 0.944 7.171 1.00 0.00 O ATOM 694 CB THR A 44 12.663 1.755 8.001 1.00 0.00 C ATOM 695 OG1 THR A 44 12.997 3.114 8.214 1.00 0.00 O ATOM 696 CG2 THR A 44 13.920 0.933 8.219 1.00 0.00 C ATOM 0 H THR A 44 11.116 3.444 6.713 1.00 0.00 H new ATOM 0 HA THR A 44 12.805 1.136 5.957 1.00 0.00 H new ATOM 0 HB THR A 44 11.902 1.421 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.389 3.219 9.106 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.307 1.119 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.685 -0.126 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.672 1.215 7.482 1.00 0.00 H new ATOM 704 N ALA A 45 11.077 -0.619 6.184 1.00 0.00 N ATOM 705 CA ALA A 45 10.028 -1.632 6.156 1.00 0.00 C ATOM 706 C ALA A 45 10.033 -2.537 7.383 1.00 0.00 C ATOM 707 O ALA A 45 11.069 -3.069 7.780 1.00 0.00 O ATOM 708 CB ALA A 45 10.157 -2.481 4.899 1.00 0.00 C ATOM 0 H ALA A 45 11.965 -0.923 5.785 1.00 0.00 H new ATOM 0 HA ALA A 45 9.079 -1.095 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.370 -3.235 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.064 -1.845 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.130 -2.972 4.890 1.00 0.00 H new ATOM 714 N ASN A 46 8.845 -2.731 7.946 1.00 0.00 N ATOM 715 CA ASN A 46 8.668 -3.609 9.099 1.00 0.00 C ATOM 716 C ASN A 46 8.048 -4.927 8.631 1.00 0.00 C ATOM 717 O ASN A 46 7.047 -4.918 7.915 1.00 0.00 O ATOM 718 CB ASN A 46 7.769 -2.944 10.145 1.00 0.00 C ATOM 719 CG ASN A 46 8.563 -2.210 11.207 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.659 -2.631 11.581 1.00 0.00 O ATOM 721 ND2 ASN A 46 8.014 -1.107 11.701 1.00 0.00 N ATOM 0 H ASN A 46 7.985 -2.289 7.621 1.00 0.00 H new ATOM 0 HA ASN A 46 9.637 -3.803 9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.096 -2.244 9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.147 -3.702 10.620 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.502 -0.572 12.419 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.104 -0.794 11.362 1.00 0.00 H new ATOM 728 N ARG A 47 8.652 -6.060 8.995 1.00 0.00 N ATOM 729 CA ARG A 47 8.142 -7.354 8.550 1.00 0.00 C ATOM 730 C ARG A 47 7.088 -7.933 9.498 1.00 0.00 C ATOM 731 O ARG A 47 7.227 -7.874 10.719 1.00 0.00 O ATOM 732 CB ARG A 47 9.305 -8.332 8.375 1.00 0.00 C ATOM 733 CG ARG A 47 9.722 -8.490 6.920 1.00 0.00 C ATOM 734 CD ARG A 47 9.348 -9.852 6.354 1.00 0.00 C ATOM 735 NE ARG A 47 8.160 -10.423 6.985 1.00 0.00 N ATOM 736 CZ ARG A 47 7.864 -11.722 6.965 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.659 -12.581 6.338 1.00 0.00 N ATOM 738 NH2 ARG A 47 6.769 -12.162 7.570 1.00 0.00 N ATOM 0 H ARG A 47 9.481 -6.107 9.587 1.00 0.00 H new ATOM 0 HA ARG A 47 7.644 -7.199 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.158 -7.985 8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.020 -9.305 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.250 -7.710 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.799 -8.348 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.175 -9.759 5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.186 -10.536 6.483 1.00 0.00 H new ATOM 0 HE ARG A 47 7.521 -9.791 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.501 -12.248 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.428 -13.574 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.153 -11.506 8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.542 -13.156 7.555 1.00 0.00 H new ATOM 752 N TRP A 48 6.032 -8.501 8.907 1.00 0.00 N ATOM 753 CA TRP A 48 4.936 -9.105 9.661 1.00 0.00 C ATOM 754 C TRP A 48 4.240 -10.163 8.807 1.00 0.00 C ATOM 755 O TRP A 48 4.204 -10.047 7.583 1.00 0.00 O ATOM 756 CB TRP A 48 3.932 -8.038 10.106 1.00 0.00 C ATOM 757 CG TRP A 48 2.778 -8.591 10.885 1.00 0.00 C ATOM 758 CD1 TRP A 48 1.761 -9.366 10.406 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.521 -8.410 12.282 1.00 0.00 C ATOM 760 NE1 TRP A 48 0.888 -9.679 11.419 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.332 -9.103 12.581 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.181 -7.729 13.310 1.00 0.00 C ATOM 763 CZ2 TRP A 48 0.791 -9.134 13.865 1.00 0.00 C ATOM 764 CZ3 TRP A 48 2.643 -7.761 14.582 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.459 -8.459 14.850 1.00 0.00 C ATOM 0 H TRP A 48 5.916 -8.553 7.895 1.00 0.00 H new ATOM 0 HA TRP A 48 5.346 -9.579 10.552 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.449 -7.296 10.715 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.551 -7.520 9.226 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.658 -9.686 9.380 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.047 -10.247 11.322 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.095 -7.188 13.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.122 -9.671 14.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.144 -7.239 15.384 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.065 -8.465 15.855 1.00 0.00 H new ATOM 776 N GLY A 49 3.702 -11.203 9.451 1.00 0.00 N ATOM 777 CA GLY A 49 3.027 -12.274 8.731 1.00 0.00 C ATOM 778 C GLY A 49 2.224 -11.788 7.535 1.00 0.00 C ATOM 779 O GLY A 49 1.086 -11.343 7.682 1.00 0.00 O ATOM 0 H GLY A 49 3.723 -11.321 10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.769 -12.997 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.362 -12.799 9.416 1.00 0.00 H new ATOM 783 N ASP A 50 2.824 -11.874 6.351 1.00 0.00 N ATOM 784 CA ASP A 50 2.164 -11.443 5.121 1.00 0.00 C ATOM 785 C ASP A 50 1.649 -10.012 5.239 1.00 0.00 C ATOM 786 O ASP A 50 0.714 -9.620 4.541 1.00 0.00 O ATOM 787 CB ASP A 50 1.007 -12.383 4.781 1.00 0.00 C ATOM 788 CG ASP A 50 0.893 -12.637 3.293 1.00 0.00 C ATOM 789 OD1 ASP A 50 0.986 -11.665 2.516 1.00 0.00 O ATOM 790 OD2 ASP A 50 0.716 -13.809 2.904 1.00 0.00 O ATOM 0 H ASP A 50 3.767 -12.239 6.217 1.00 0.00 H new ATOM 0 HA ASP A 50 2.903 -11.476 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.148 -13.331 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.074 -11.955 5.147 1.00 0.00 H new ATOM 795 N GLU A 51 2.265 -9.237 6.123 1.00 0.00 N ATOM 796 CA GLU A 51 1.873 -7.851 6.329 1.00 0.00 C ATOM 797 C GLU A 51 3.104 -6.959 6.438 1.00 0.00 C ATOM 798 O GLU A 51 4.081 -7.311 7.100 1.00 0.00 O ATOM 799 CB GLU A 51 1.015 -7.721 7.589 1.00 0.00 C ATOM 800 CG GLU A 51 -0.244 -6.892 7.387 1.00 0.00 C ATOM 801 CD GLU A 51 -0.283 -5.663 8.273 1.00 0.00 C ATOM 802 OE1 GLU A 51 0.336 -5.693 9.358 1.00 0.00 O ATOM 803 OE2 GLU A 51 -0.933 -4.670 7.884 1.00 0.00 O ATOM 0 H GLU A 51 3.040 -9.547 6.709 1.00 0.00 H new ATOM 0 HA GLU A 51 1.284 -7.529 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.733 -8.717 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.613 -7.270 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.308 -6.585 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.118 -7.510 7.592 1.00 0.00 H new ATOM 810 N ILE A 52 3.053 -5.806 5.784 1.00 0.00 N ATOM 811 CA ILE A 52 4.166 -4.868 5.810 1.00 0.00 C ATOM 812 C ILE A 52 3.656 -3.437 5.957 1.00 0.00 C ATOM 813 O ILE A 52 2.774 -3.010 5.219 1.00 0.00 O ATOM 814 CB ILE A 52 5.037 -5.002 4.530 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.486 -5.342 4.899 1.00 0.00 C ATOM 816 CG2 ILE A 52 4.996 -3.733 3.686 1.00 0.00 C ATOM 817 CD1 ILE A 52 6.701 -6.783 5.327 1.00 0.00 C ATOM 0 H ILE A 52 2.254 -5.499 5.230 1.00 0.00 H new ATOM 0 HA ILE A 52 4.789 -5.107 6.672 1.00 0.00 H new ATOM 0 HB ILE A 52 4.620 -5.814 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.126 -5.131 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.807 -4.684 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.617 -3.865 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.969 -3.531 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.373 -2.894 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.752 -6.937 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.091 -6.997 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.415 -7.451 4.514 1.00 0.00 H new ATOM 829 N TYR A 53 4.211 -2.703 6.914 1.00 0.00 N ATOM 830 CA TYR A 53 3.803 -1.321 7.144 1.00 0.00 C ATOM 831 C TYR A 53 5.015 -0.434 7.405 1.00 0.00 C ATOM 832 O TYR A 53 5.790 -0.679 8.330 1.00 0.00 O ATOM 833 CB TYR A 53 2.826 -1.235 8.324 1.00 0.00 C ATOM 834 CG TYR A 53 3.402 -1.726 9.637 1.00 0.00 C ATOM 835 CD1 TYR A 53 4.113 -0.871 10.471 1.00 0.00 C ATOM 836 CD2 TYR A 53 3.232 -3.044 10.043 1.00 0.00 C ATOM 837 CE1 TYR A 53 4.638 -1.315 11.669 1.00 0.00 C ATOM 838 CE2 TYR A 53 3.753 -3.496 11.240 1.00 0.00 C ATOM 839 CZ TYR A 53 4.456 -2.627 12.049 1.00 0.00 C ATOM 840 OH TYR A 53 4.976 -3.075 13.242 1.00 0.00 O ATOM 0 H TYR A 53 4.942 -3.039 7.541 1.00 0.00 H new ATOM 0 HA TYR A 53 3.300 -0.966 6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.507 -0.200 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.936 -1.818 8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.257 0.158 10.177 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.683 -3.727 9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.188 -0.637 12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.611 -4.523 11.541 1.00 0.00 H new ATOM 0 HH TYR A 53 4.757 -4.023 13.359 1.00 0.00 H new ATOM 850 N PHE A 54 5.174 0.596 6.580 1.00 0.00 N ATOM 851 CA PHE A 54 6.292 1.519 6.718 1.00 0.00 C ATOM 852 C PHE A 54 5.811 2.966 6.682 1.00 0.00 C ATOM 853 O PHE A 54 4.855 3.294 5.978 1.00 0.00 O ATOM 854 CB PHE A 54 7.328 1.270 5.613 1.00 0.00 C ATOM 855 CG PHE A 54 6.867 1.654 4.226 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.606 2.978 3.897 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.690 0.685 3.250 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.182 3.323 2.628 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.262 1.027 1.979 1.00 0.00 C ATOM 860 CZ PHE A 54 6.008 2.346 1.668 1.00 0.00 C ATOM 0 H PHE A 54 4.542 0.811 5.809 1.00 0.00 H new ATOM 0 HA PHE A 54 6.763 1.343 7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.234 1.828 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.595 0.213 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.736 3.748 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.889 -0.350 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.987 4.357 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.127 0.260 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.674 2.614 0.677 1.00 0.00 H new ATOM 870 N THR A 55 6.483 3.833 7.432 1.00 0.00 N ATOM 871 CA THR A 55 6.127 5.251 7.469 1.00 0.00 C ATOM 872 C THR A 55 6.945 6.024 6.438 1.00 0.00 C ATOM 873 O THR A 55 8.078 5.655 6.133 1.00 0.00 O ATOM 874 CB THR A 55 6.363 5.826 8.865 1.00 0.00 C ATOM 875 OG1 THR A 55 6.302 4.805 9.845 1.00 0.00 O ATOM 876 CG2 THR A 55 5.364 6.895 9.252 1.00 0.00 C ATOM 0 H THR A 55 7.276 3.582 8.022 1.00 0.00 H new ATOM 0 HA THR A 55 5.069 5.349 7.228 1.00 0.00 H new ATOM 0 HB THR A 55 7.354 6.278 8.826 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.457 5.193 10.732 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.590 7.259 10.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.423 7.722 8.544 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.358 6.475 9.237 1.00 0.00 H new ATOM 884 N THR A 56 6.366 7.091 5.892 1.00 0.00 N ATOM 885 CA THR A 56 7.058 7.894 4.885 1.00 0.00 C ATOM 886 C THR A 56 7.154 9.365 5.293 1.00 0.00 C ATOM 887 O THR A 56 7.605 10.202 4.510 1.00 0.00 O ATOM 888 CB THR A 56 6.349 7.777 3.537 1.00 0.00 C ATOM 889 OG1 THR A 56 5.109 7.101 3.675 1.00 0.00 O ATOM 890 CG2 THR A 56 7.163 7.034 2.498 1.00 0.00 C ATOM 0 H THR A 56 5.429 7.418 6.126 1.00 0.00 H new ATOM 0 HA THR A 56 8.072 7.504 4.800 1.00 0.00 H new ATOM 0 HB THR A 56 6.202 8.803 3.199 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.671 7.039 2.800 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.603 6.986 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.104 7.558 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.368 6.023 2.851 1.00 0.00 H new ATOM 898 N GLN A 57 6.732 9.671 6.517 1.00 0.00 N ATOM 899 CA GLN A 57 6.773 11.044 7.040 1.00 0.00 C ATOM 900 C GLN A 57 5.562 11.862 6.586 1.00 0.00 C ATOM 901 O GLN A 57 5.357 12.978 7.061 1.00 0.00 O ATOM 902 CB GLN A 57 8.073 11.766 6.635 1.00 0.00 C ATOM 903 CG GLN A 57 9.300 10.867 6.608 1.00 0.00 C ATOM 904 CD GLN A 57 10.507 11.506 7.267 1.00 0.00 C ATOM 905 OE1 GLN A 57 10.779 12.691 7.072 1.00 0.00 O ATOM 906 NE2 GLN A 57 11.237 10.724 8.053 1.00 0.00 N ATOM 0 H GLN A 57 6.355 8.986 7.172 1.00 0.00 H new ATOM 0 HA GLN A 57 6.744 10.962 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.938 12.208 5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.252 12.586 7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.069 9.929 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.543 10.621 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.975 9.747 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.060 11.100 8.524 1.00 0.00 H new ATOM 915 N VAL A 58 4.753 11.311 5.682 1.00 0.00 N ATOM 916 CA VAL A 58 3.568 12.020 5.208 1.00 0.00 C ATOM 917 C VAL A 58 2.391 11.765 6.143 1.00 0.00 C ATOM 918 O VAL A 58 1.923 10.633 6.272 1.00 0.00 O ATOM 919 CB VAL A 58 3.189 11.618 3.764 1.00 0.00 C ATOM 920 CG1 VAL A 58 2.851 10.137 3.670 1.00 0.00 C ATOM 921 CG2 VAL A 58 2.029 12.466 3.262 1.00 0.00 C ATOM 0 H VAL A 58 4.894 10.389 5.269 1.00 0.00 H new ATOM 0 HA VAL A 58 3.807 13.083 5.203 1.00 0.00 H new ATOM 0 HB VAL A 58 4.055 11.801 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.589 9.888 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.714 9.547 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.007 9.914 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.775 12.170 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.164 12.319 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.316 13.518 3.273 1.00 0.00 H new ATOM 931 N ALA A 59 1.925 12.819 6.808 1.00 0.00 N ATOM 932 CA ALA A 59 0.808 12.691 7.745 1.00 0.00 C ATOM 933 C ALA A 59 -0.501 13.171 7.135 1.00 0.00 C ATOM 934 O ALA A 59 -0.810 14.362 7.152 1.00 0.00 O ATOM 935 CB ALA A 59 1.089 13.440 9.043 1.00 0.00 C ATOM 0 H ALA A 59 2.298 13.764 6.718 1.00 0.00 H new ATOM 0 HA ALA A 59 0.704 11.630 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.242 13.327 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.984 13.032 9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.242 14.497 8.827 1.00 0.00 H new ATOM 941 N VAL A 60 -1.271 12.228 6.606 1.00 0.00 N ATOM 942 CA VAL A 60 -2.560 12.539 5.999 1.00 0.00 C ATOM 943 C VAL A 60 -3.627 11.567 6.497 1.00 0.00 C ATOM 944 O VAL A 60 -3.634 10.397 6.117 1.00 0.00 O ATOM 945 CB VAL A 60 -2.476 12.475 4.457 1.00 0.00 C ATOM 946 CG1 VAL A 60 -1.940 11.124 3.996 1.00 0.00 C ATOM 947 CG2 VAL A 60 -3.829 12.765 3.820 1.00 0.00 C ATOM 0 H VAL A 60 -1.024 11.238 6.585 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.833 13.554 6.290 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.779 13.247 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.891 11.104 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.943 10.969 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.603 10.332 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.739 12.713 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.557 12.028 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.161 13.762 4.109 1.00 0.00 H new ATOM 957 N GLU A 61 -4.520 12.049 7.364 1.00 0.00 N ATOM 958 CA GLU A 61 -5.571 11.201 7.917 1.00 0.00 C ATOM 959 C GLU A 61 -6.942 11.864 7.807 1.00 0.00 C ATOM 960 O GLU A 61 -7.105 13.039 8.136 1.00 0.00 O ATOM 961 CB GLU A 61 -5.261 10.872 9.380 1.00 0.00 C ATOM 962 CG GLU A 61 -4.778 9.447 9.592 1.00 0.00 C ATOM 963 CD GLU A 61 -4.549 9.120 11.055 1.00 0.00 C ATOM 964 OE1 GLU A 61 -5.425 9.450 11.881 1.00 0.00 O ATOM 965 OE2 GLU A 61 -3.492 8.536 11.374 1.00 0.00 O ATOM 0 H GLU A 61 -4.535 13.014 7.694 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.599 10.279 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.502 11.563 9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.157 11.036 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.511 8.754 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.850 9.296 9.040 1.00 0.00 H new ATOM 972 N LYS A 62 -7.926 11.095 7.345 1.00 0.00 N ATOM 973 CA LYS A 62 -9.286 11.597 7.193 1.00 0.00 C ATOM 974 C LYS A 62 -10.300 10.491 7.500 1.00 0.00 C ATOM 975 O LYS A 62 -9.942 9.315 7.562 1.00 0.00 O ATOM 976 CB LYS A 62 -9.497 12.129 5.772 1.00 0.00 C ATOM 977 CG LYS A 62 -10.907 12.630 5.502 1.00 0.00 C ATOM 978 CD LYS A 62 -11.014 13.279 4.133 1.00 0.00 C ATOM 979 CE LYS A 62 -12.116 14.326 4.096 1.00 0.00 C ATOM 980 NZ LYS A 62 -13.419 13.776 4.558 1.00 0.00 N ATOM 0 H LYS A 62 -7.804 10.120 7.070 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.437 12.413 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.793 12.941 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.261 11.338 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.609 11.798 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.192 13.349 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.062 13.742 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.212 12.515 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.835 15.171 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.222 14.706 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.173 14.469 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.626 12.896 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.370 13.578 5.578 1.00 0.00 H new ATOM 994 N GLU A 63 -11.562 10.870 7.692 1.00 0.00 N ATOM 995 CA GLU A 63 -12.611 9.898 7.989 1.00 0.00 C ATOM 996 C GLU A 63 -13.404 9.558 6.732 1.00 0.00 C ATOM 997 O GLU A 63 -14.400 10.210 6.420 1.00 0.00 O ATOM 998 CB GLU A 63 -13.554 10.438 9.066 1.00 0.00 C ATOM 999 CG GLU A 63 -12.861 11.276 10.128 1.00 0.00 C ATOM 1000 CD GLU A 63 -12.802 12.747 9.764 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -13.777 13.470 10.056 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.780 13.175 9.186 1.00 0.00 O ATOM 0 H GLU A 63 -11.881 11.838 7.648 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.134 8.990 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.327 11.041 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.056 9.600 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.386 11.161 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.848 10.902 10.277 1.00 0.00 H new ATOM 1009 N GLU A 64 -12.953 8.539 6.014 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.618 8.116 4.787 1.00 0.00 C ATOM 1011 C GLU A 64 -13.047 6.784 4.290 1.00 0.00 C ATOM 1012 O GLU A 64 -11.926 6.412 4.639 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.467 9.208 3.716 1.00 0.00 C ATOM 1014 CG GLU A 64 -13.477 8.699 2.280 1.00 0.00 C ATOM 1015 CD GLU A 64 -13.830 9.782 1.280 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -14.423 10.801 1.693 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -13.511 9.613 0.084 1.00 0.00 O ATOM 0 H GLU A 64 -12.130 7.989 6.259 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.678 7.966 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.275 9.930 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.533 9.742 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.496 8.290 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.193 7.882 2.193 1.00 0.00 H new ATOM 1024 N ASN A 65 -13.821 6.074 3.472 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.386 4.794 2.928 1.00 0.00 C ATOM 1026 C ASN A 65 -13.176 3.773 4.043 1.00 0.00 C ATOM 1027 O ASN A 65 -14.054 2.957 4.319 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.092 4.972 2.121 1.00 0.00 C ATOM 1029 CG ASN A 65 -11.618 3.677 1.488 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -11.673 2.614 2.104 1.00 0.00 O ATOM 1031 ND2 ASN A 65 -11.149 3.763 0.249 1.00 0.00 N ATOM 0 H ASN A 65 -14.752 6.365 3.173 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.167 4.421 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.254 5.716 1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.311 5.360 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.816 2.926 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.122 4.666 -0.224 1.00 0.00 H new ATOM 1038 N SER A 66 -12.005 3.840 4.677 1.00 0.00 N ATOM 1039 CA SER A 66 -11.642 2.936 5.778 1.00 0.00 C ATOM 1040 C SER A 66 -12.391 1.598 5.705 1.00 0.00 C ATOM 1041 O SER A 66 -13.415 1.423 6.366 1.00 0.00 O ATOM 1042 CB SER A 66 -11.934 3.610 7.120 1.00 0.00 C ATOM 1043 OG SER A 66 -10.959 4.593 7.421 1.00 0.00 O ATOM 0 H SER A 66 -11.280 4.519 4.445 1.00 0.00 H new ATOM 0 HA SER A 66 -10.577 2.724 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.922 4.070 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.954 2.860 7.910 1.00 0.00 H new ATOM 0 HG SER A 66 -11.170 5.010 8.283 1.00 0.00 H new ATOM 1049 N LYS A 67 -11.878 0.651 4.916 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.527 -0.662 4.798 1.00 0.00 C ATOM 1051 C LYS A 67 -11.761 -1.720 5.589 1.00 0.00 C ATOM 1052 O LYS A 67 -10.599 -1.521 5.943 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.672 -1.105 3.331 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.392 -1.029 2.511 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.485 -2.221 2.774 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.148 -2.067 2.073 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.143 -3.050 2.570 1.00 0.00 N ATOM 0 H LYS A 67 -11.031 0.762 4.358 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.528 -0.559 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.039 -2.131 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.431 -0.485 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.641 -0.988 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.861 -0.108 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.324 -2.328 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.973 -3.134 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.284 -2.198 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.772 -1.055 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.413 -2.553 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.614 -3.751 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.700 -3.533 1.762 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.420 -2.844 5.873 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.793 -3.923 6.636 1.00 0.00 C ATOM 1073 C ASP A 68 -11.755 -5.240 5.853 1.00 0.00 C ATOM 1074 O ASP A 68 -11.072 -6.181 6.255 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.537 -4.130 7.956 1.00 0.00 C ATOM 1076 CG ASP A 68 -14.034 -4.266 7.761 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.501 -5.397 7.510 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.739 -3.240 7.858 1.00 0.00 O ATOM 0 H ASP A 68 -13.382 -3.030 5.588 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.763 -3.626 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.155 -5.024 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.335 -3.289 8.620 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.487 -5.312 4.740 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.511 -6.533 3.934 1.00 0.00 C ATOM 1085 C VAL A 69 -12.041 -6.268 2.505 1.00 0.00 C ATOM 1086 O VAL A 69 -12.327 -5.215 1.936 1.00 0.00 O ATOM 1087 CB VAL A 69 -13.920 -7.172 3.907 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.852 -6.429 2.955 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -13.828 -8.643 3.531 1.00 0.00 C ATOM 0 H VAL A 69 -13.063 -4.551 4.380 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.822 -7.232 4.407 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.342 -7.093 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.833 -6.905 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.950 -5.392 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.441 -6.459 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.827 -9.078 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.376 -8.739 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.214 -9.168 4.263 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.319 -7.230 1.932 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.812 -7.089 0.565 1.00 0.00 C ATOM 1101 C VAL A 70 -10.493 -8.438 -0.074 1.00 0.00 C ATOM 1102 O VAL A 70 -10.258 -9.427 0.619 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.540 -6.216 0.518 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.839 -4.805 0.995 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.401 -6.835 1.334 1.00 0.00 C ATOM 0 H VAL A 70 -11.073 -8.109 2.387 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.611 -6.607 0.002 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.212 -6.168 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.929 -4.207 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.597 -4.357 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.206 -4.838 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.522 -6.193 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.711 -6.935 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.158 -7.819 0.932 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.475 -8.463 -1.410 1.00 0.00 N ATOM 1116 CA GLU A 71 -10.171 -9.691 -2.148 1.00 0.00 C ATOM 1117 C GLU A 71 -8.668 -9.856 -2.341 1.00 0.00 C ATOM 1118 O GLU A 71 -7.921 -8.880 -2.416 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.874 -9.717 -3.513 1.00 0.00 C ATOM 1120 CG GLU A 71 -12.272 -9.134 -3.483 1.00 0.00 C ATOM 1121 CD GLU A 71 -12.769 -8.732 -4.859 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -12.311 -7.691 -5.376 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -13.617 -9.458 -5.419 1.00 0.00 O ATOM 0 H GLU A 71 -10.666 -7.652 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.545 -10.523 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.273 -9.162 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.926 -10.747 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.957 -9.865 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.284 -8.263 -2.828 1.00 0.00 H new ATOM 1130 N LEU A 72 -8.241 -11.109 -2.409 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.827 -11.451 -2.582 1.00 0.00 C ATOM 1132 C LEU A 72 -6.207 -10.731 -3.783 1.00 0.00 C ATOM 1133 O LEU A 72 -6.696 -10.851 -4.906 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.682 -12.972 -2.767 1.00 0.00 C ATOM 1135 CG LEU A 72 -5.252 -13.502 -2.956 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -4.698 -14.020 -1.637 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -5.234 -14.605 -4.005 1.00 0.00 C ATOM 0 H LEU A 72 -8.859 -11.918 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.296 -11.127 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.118 -13.465 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.274 -13.269 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.621 -12.682 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.685 -14.392 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.682 -13.211 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.330 -14.829 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.215 -14.972 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.878 -15.424 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.596 -14.210 -4.954 1.00 0.00 H new ATOM 1149 N GLY A 73 -5.111 -10.003 -3.547 1.00 0.00 N ATOM 1150 CA GLY A 73 -4.437 -9.306 -4.637 1.00 0.00 C ATOM 1151 C GLY A 73 -4.488 -7.790 -4.534 1.00 0.00 C ATOM 1152 O GLY A 73 -3.572 -7.106 -4.990 1.00 0.00 O ATOM 0 H GLY A 73 -4.682 -9.884 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.394 -9.622 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.888 -9.610 -5.582 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.560 -7.257 -3.958 1.00 0.00 N ATOM 1157 CA ASP A 74 -5.714 -5.811 -3.830 1.00 0.00 C ATOM 1158 C ASP A 74 -4.714 -5.217 -2.828 1.00 0.00 C ATOM 1159 O ASP A 74 -4.088 -5.940 -2.055 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.159 -5.477 -3.432 1.00 0.00 C ATOM 1161 CG ASP A 74 -7.400 -5.590 -1.942 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.279 -6.710 -1.404 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -7.713 -4.557 -1.310 1.00 0.00 O ATOM 0 H ASP A 74 -6.332 -7.801 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.498 -5.358 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.395 -4.464 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.839 -6.147 -3.957 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.573 -3.890 -2.859 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.651 -3.177 -1.959 1.00 0.00 C ATOM 1170 C VAL A 75 -4.425 -2.177 -1.089 1.00 0.00 C ATOM 1171 O VAL A 75 -5.479 -1.695 -1.505 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.565 -2.415 -2.763 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.510 -1.813 -1.843 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -1.921 -3.333 -3.789 1.00 0.00 C ATOM 0 H VAL A 75 -5.085 -3.282 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.166 -3.919 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.053 -1.594 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.765 -1.287 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.984 -1.113 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.025 -2.608 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.162 -2.782 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.457 -4.178 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.682 -3.698 -4.479 1.00 0.00 H new ATOM 1184 N ALA A 76 -3.927 -1.859 0.117 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.632 -0.917 0.983 1.00 0.00 C ATOM 1186 C ALA A 76 -3.681 -0.125 1.876 1.00 0.00 C ATOM 1187 O ALA A 76 -2.630 -0.626 2.279 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.656 -1.653 1.831 1.00 0.00 C ATOM 0 H ALA A 76 -3.060 -2.233 0.502 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.139 -0.201 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.176 -0.942 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.377 -2.150 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.151 -2.396 2.448 1.00 0.00 H new ATOM 1194 N TYR A 77 -4.067 1.112 2.194 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.259 1.970 3.056 1.00 0.00 C ATOM 1196 C TYR A 77 -3.879 2.048 4.453 1.00 0.00 C ATOM 1197 O TYR A 77 -5.092 2.198 4.597 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.117 3.371 2.428 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.471 4.523 3.347 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -2.728 4.770 4.492 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -4.543 5.359 3.067 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -3.045 5.816 5.334 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -4.866 6.411 3.905 1.00 0.00 C ATOM 1204 CZ TYR A 77 -4.113 6.635 5.037 1.00 0.00 C ATOM 1205 OH TYR A 77 -4.429 7.679 5.874 1.00 0.00 O ATOM 0 H TYR A 77 -4.933 1.540 1.867 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.261 1.542 3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.089 3.499 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.752 3.423 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.888 4.133 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.135 5.185 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.458 5.992 6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.703 7.053 3.673 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.930 8.478 5.603 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.038 1.930 5.478 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.507 1.975 6.863 1.00 0.00 C ATOM 1217 C TRP A 78 -3.821 3.406 7.301 1.00 0.00 C ATOM 1218 O TRP A 78 -2.914 4.215 7.493 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.458 1.364 7.793 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.050 0.722 9.011 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.178 1.112 9.671 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.549 -0.421 9.713 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.409 0.284 10.740 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.423 -0.666 10.788 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.445 -1.261 9.538 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -3.229 -1.716 11.684 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -1.254 -2.303 10.427 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -2.142 -2.521 11.487 1.00 0.00 C ATOM 0 H TRP A 78 -2.031 1.803 5.377 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.427 1.394 6.923 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -1.882 0.620 7.242 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.760 2.142 8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.799 1.951 9.393 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.188 0.363 11.393 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.754 -1.099 8.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.912 -1.887 12.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.406 -2.959 10.301 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.964 -3.343 12.164 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.111 3.714 7.462 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.534 5.048 7.877 1.00 0.00 C ATOM 1241 C ILE A 79 -4.881 5.447 9.208 1.00 0.00 C ATOM 1242 O ILE A 79 -4.011 6.318 9.235 1.00 0.00 O ATOM 1243 CB ILE A 79 -7.080 5.145 7.980 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.697 5.272 6.579 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.506 6.311 8.870 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.582 6.491 6.392 1.00 0.00 C ATOM 0 H ILE A 79 -5.877 3.057 7.311 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.202 5.747 7.110 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.448 4.229 8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.894 5.305 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.283 4.377 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.594 6.351 8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.101 6.171 9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.128 7.244 8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.976 6.502 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.409 6.452 7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.998 7.395 6.565 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.285 4.820 10.333 1.00 0.00 N ATOM 1259 CA PRO A 80 -4.718 5.132 11.651 1.00 0.00 C ATOM 1260 C PRO A 80 -3.210 4.916 11.699 1.00 0.00 C ATOM 1261 O PRO A 80 -2.739 3.836 12.060 1.00 0.00 O ATOM 1262 CB PRO A 80 -5.429 4.156 12.599 1.00 0.00 C ATOM 1263 CG PRO A 80 -5.986 3.092 11.716 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.310 3.770 10.417 1.00 0.00 C ATOM 0 HA PRO A 80 -4.866 6.179 11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.735 3.739 13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.219 4.656 13.160 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.265 2.288 11.569 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.877 2.644 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.252 3.080 9.575 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.317 4.187 10.419 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.458 5.949 11.335 1.00 0.00 N ATOM 1273 CA GLY A 81 -1.009 5.854 11.345 1.00 0.00 C ATOM 1274 C GLY A 81 -0.378 6.351 10.055 1.00 0.00 C ATOM 1275 O GLY A 81 0.846 6.436 9.955 1.00 0.00 O ATOM 0 H GLY A 81 -2.826 6.851 11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.617 6.432 12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.718 4.817 11.510 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.208 6.680 9.063 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.702 7.171 7.774 1.00 0.00 C ATOM 1281 C LYS A 82 0.354 6.221 7.215 1.00 0.00 C ATOM 1282 O LYS A 82 1.298 6.648 6.549 1.00 0.00 O ATOM 1283 CB LYS A 82 -0.100 8.579 7.906 1.00 0.00 C ATOM 1284 CG LYS A 82 -0.420 9.301 9.213 1.00 0.00 C ATOM 1285 CD LYS A 82 0.785 9.331 10.138 1.00 0.00 C ATOM 1286 CE LYS A 82 0.382 9.111 11.588 1.00 0.00 C ATOM 1287 NZ LYS A 82 1.231 9.896 12.526 1.00 0.00 N ATOM 0 H LYS A 82 -2.224 6.617 9.123 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.549 7.217 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.983 8.505 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.456 9.189 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.742 10.320 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.251 8.803 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.496 8.561 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.294 10.290 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.662 9.393 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.459 8.051 11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.924 9.718 13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.225 9.609 12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.138 10.910 12.313 1.00 0.00 H new ATOM 1301 N ALA A 83 0.194 4.934 7.501 1.00 0.00 N ATOM 1302 CA ALA A 83 1.141 3.925 7.038 1.00 0.00 C ATOM 1303 C ALA A 83 0.535 3.034 5.955 1.00 0.00 C ATOM 1304 O ALA A 83 -0.571 2.515 6.110 1.00 0.00 O ATOM 1305 CB ALA A 83 1.612 3.083 8.216 1.00 0.00 C ATOM 0 H ALA A 83 -0.582 4.564 8.051 1.00 0.00 H new ATOM 0 HA ALA A 83 1.994 4.440 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.319 2.331 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.099 3.725 8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.756 2.590 8.676 1.00 0.00 H new ATOM 1311 N ILE A 84 1.279 2.850 4.866 1.00 0.00 N ATOM 1312 CA ILE A 84 0.829 2.006 3.761 1.00 0.00 C ATOM 1313 C ILE A 84 1.239 0.559 4.007 1.00 0.00 C ATOM 1314 O ILE A 84 2.239 0.302 4.678 1.00 0.00 O ATOM 1315 CB ILE A 84 1.414 2.478 2.416 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.316 4.001 2.295 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.694 1.801 1.259 1.00 0.00 C ATOM 1318 CD1 ILE A 84 1.834 4.544 0.981 1.00 0.00 C ATOM 0 H ILE A 84 2.196 3.274 4.725 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.257 2.081 3.710 1.00 0.00 H new ATOM 0 HB ILE A 84 2.467 2.198 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.275 4.299 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.875 4.458 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.118 2.144 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.813 0.720 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.366 2.052 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.731 5.629 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.885 4.278 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.259 4.117 0.159 1.00 0.00 H new ATOM 1330 N CYS A 85 0.461 -0.391 3.491 1.00 0.00 N ATOM 1331 CA CYS A 85 0.770 -1.800 3.707 1.00 0.00 C ATOM 1332 C CYS A 85 0.457 -2.672 2.489 1.00 0.00 C ATOM 1333 O CYS A 85 -0.389 -2.337 1.660 1.00 0.00 O ATOM 1334 CB CYS A 85 0.002 -2.307 4.934 1.00 0.00 C ATOM 1335 SG CYS A 85 0.073 -4.097 5.194 1.00 0.00 S ATOM 0 H CYS A 85 -0.373 -0.214 2.931 1.00 0.00 H new ATOM 0 HA CYS A 85 1.844 -1.877 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.395 -1.810 5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.042 -2.010 4.839 1.00 0.00 H new ATOM 0 HG CYS A 85 -0.557 -4.402 6.289 1.00 0.00 H new ATOM 1341 N LEU A 86 1.141 -3.815 2.423 1.00 0.00 N ATOM 1342 CA LEU A 86 0.953 -4.793 1.351 1.00 0.00 C ATOM 1343 C LEU A 86 0.536 -6.134 1.962 1.00 0.00 C ATOM 1344 O LEU A 86 1.086 -6.540 2.987 1.00 0.00 O ATOM 1345 CB LEU A 86 2.249 -4.983 0.549 1.00 0.00 C ATOM 1346 CG LEU A 86 2.128 -4.751 -0.962 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.403 -4.133 -1.518 1.00 0.00 C ATOM 1348 CD2 LEU A 86 1.822 -6.057 -1.680 1.00 0.00 C ATOM 0 H LEU A 86 1.842 -4.089 3.112 1.00 0.00 H new ATOM 0 HA LEU A 86 0.179 -4.427 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.004 -4.303 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.614 -5.996 0.716 1.00 0.00 H new ATOM 0 HG LEU A 86 1.305 -4.057 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.294 -3.978 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.587 -3.176 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.243 -4.802 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.740 -5.873 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.625 -6.771 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.882 -6.465 -1.309 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.431 -6.825 1.357 1.00 0.00 N ATOM 1361 CA PHE A 87 -0.877 -8.106 1.893 1.00 0.00 C ATOM 1362 C PHE A 87 -1.064 -9.141 0.786 1.00 0.00 C ATOM 1363 O PHE A 87 -1.569 -8.829 -0.293 1.00 0.00 O ATOM 1364 CB PHE A 87 -2.176 -7.919 2.682 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.236 -7.183 1.921 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.937 -7.806 0.902 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.529 -5.864 2.224 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -4.911 -7.126 0.199 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -4.500 -5.181 1.523 1.00 0.00 C ATOM 1370 CZ PHE A 87 -5.193 -5.811 0.511 1.00 0.00 C ATOM 0 H PHE A 87 -0.912 -6.524 0.510 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.104 -8.481 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.560 -8.897 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.958 -7.377 3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.719 -8.835 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.992 -5.365 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.452 -7.622 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.718 -4.152 1.767 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.955 -5.277 -0.037 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.656 -10.376 1.067 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.775 -11.471 0.108 1.00 0.00 C ATOM 1382 C PHE A 88 -0.966 -12.797 0.847 1.00 0.00 C ATOM 1383 O PHE A 88 -0.223 -13.756 0.636 1.00 0.00 O ATOM 1384 CB PHE A 88 0.467 -11.529 -0.790 1.00 0.00 C ATOM 1385 CG PHE A 88 0.153 -11.339 -2.247 1.00 0.00 C ATOM 1386 CD1 PHE A 88 -0.205 -12.419 -3.038 1.00 0.00 C ATOM 1387 CD2 PHE A 88 0.209 -10.079 -2.823 1.00 0.00 C ATOM 1388 CE1 PHE A 88 -0.499 -12.246 -4.377 1.00 0.00 C ATOM 1389 CE2 PHE A 88 -0.085 -9.902 -4.162 1.00 0.00 C ATOM 1390 CZ PHE A 88 -0.439 -10.987 -4.939 1.00 0.00 C ATOM 0 H PHE A 88 -0.237 -10.645 1.957 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.647 -11.295 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.172 -10.761 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.961 -12.491 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.255 -13.406 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.485 -9.227 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.776 -13.096 -4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.038 -8.916 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.669 -10.851 -5.985 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.963 -12.831 1.728 1.00 0.00 N ATOM 1401 CA GLY A 89 -2.242 -14.017 2.513 1.00 0.00 C ATOM 1402 C GLY A 89 -2.779 -13.647 3.887 1.00 0.00 C ATOM 1403 O GLY A 89 -3.640 -12.776 3.994 1.00 0.00 O ATOM 0 H GLY A 89 -2.588 -12.046 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.968 -14.641 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.333 -14.608 2.621 1.00 0.00 H new ATOM 1407 N LYS A 90 -2.279 -14.290 4.940 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.741 -13.985 6.291 1.00 0.00 C ATOM 1409 C LYS A 90 -2.543 -12.513 6.621 1.00 0.00 C ATOM 1410 O LYS A 90 -2.163 -11.709 5.768 1.00 0.00 O ATOM 1411 CB LYS A 90 -2.018 -14.844 7.341 1.00 0.00 C ATOM 1412 CG LYS A 90 -0.618 -14.359 7.694 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.597 -13.635 9.035 1.00 0.00 C ATOM 1414 CE LYS A 90 0.202 -14.406 10.076 1.00 0.00 C ATOM 1415 NZ LYS A 90 1.484 -14.929 9.527 1.00 0.00 N ATOM 0 H LYS A 90 -1.564 -15.015 4.886 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.806 -14.217 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.620 -14.870 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.953 -15.868 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.064 -15.208 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.256 -13.690 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.166 -12.642 8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.618 -13.495 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.411 -13.756 10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.397 -15.236 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.401 -15.953 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.695 -14.454 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.252 -14.745 10.204 1.00 0.00 H new ATOM 1429 N THR A 91 -2.804 -12.178 7.874 1.00 0.00 N ATOM 1430 CA THR A 91 -2.666 -10.818 8.365 1.00 0.00 C ATOM 1431 C THR A 91 -2.748 -10.831 9.888 1.00 0.00 C ATOM 1432 O THR A 91 -2.804 -11.903 10.490 1.00 0.00 O ATOM 1433 CB THR A 91 -3.761 -9.931 7.763 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.610 -10.682 6.913 1.00 0.00 O ATOM 1435 CG2 THR A 91 -3.213 -8.768 6.959 1.00 0.00 C ATOM 0 H THR A 91 -3.118 -12.843 8.580 1.00 0.00 H new ATOM 0 HA THR A 91 -1.701 -10.409 8.066 1.00 0.00 H new ATOM 0 HB THR A 91 -4.312 -9.535 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.152 -11.296 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.040 -8.180 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.597 -8.139 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.608 -9.148 6.136 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.763 -9.660 10.550 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.846 -9.600 12.011 1.00 0.00 C ATOM 1445 C PRO A 92 -3.912 -10.539 12.578 1.00 0.00 C ATOM 1446 O PRO A 92 -3.860 -10.907 13.750 1.00 0.00 O ATOM 1447 CB PRO A 92 -3.209 -8.139 12.275 1.00 0.00 C ATOM 1448 CG PRO A 92 -2.592 -7.400 11.140 1.00 0.00 C ATOM 1449 CD PRO A 92 -2.703 -8.311 9.947 1.00 0.00 C ATOM 0 HA PRO A 92 -1.920 -9.918 12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.289 -7.996 12.304 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.817 -7.798 13.233 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.108 -6.457 10.961 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.550 -7.158 11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.594 -8.094 9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.847 -8.206 9.281 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.879 -10.922 11.742 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.948 -11.816 12.177 1.00 0.00 C ATOM 1459 C ILE A 93 -6.363 -12.796 11.075 1.00 0.00 C ATOM 1460 O ILE A 93 -7.521 -12.813 10.660 1.00 0.00 O ATOM 1461 CB ILE A 93 -7.192 -11.023 12.633 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.784 -9.791 13.445 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -8.118 -11.915 13.445 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -7.918 -8.817 13.677 1.00 0.00 C ATOM 0 H ILE A 93 -4.942 -10.628 10.767 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.547 -12.382 13.018 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.726 -10.682 11.746 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.391 -10.115 14.409 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.974 -9.277 12.927 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.991 -11.343 13.760 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.438 -12.759 12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.589 -12.284 14.324 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.556 -7.969 14.259 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.296 -8.464 12.718 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.720 -9.315 14.222 1.00 0.00 H new ATOM 1476 N SER A 94 -5.423 -13.624 10.612 1.00 0.00 N ATOM 1477 CA SER A 94 -5.721 -14.610 9.571 1.00 0.00 C ATOM 1478 C SER A 94 -6.977 -15.410 9.925 1.00 0.00 C ATOM 1479 O SER A 94 -8.048 -15.191 9.363 1.00 0.00 O ATOM 1480 CB SER A 94 -4.543 -15.567 9.391 1.00 0.00 C ATOM 1481 OG SER A 94 -3.445 -15.193 10.207 1.00 0.00 O ATOM 0 H SER A 94 -4.457 -13.632 10.939 1.00 0.00 H new ATOM 0 HA SER A 94 -5.895 -14.072 8.639 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.855 -16.581 9.640 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.235 -15.576 8.345 1.00 0.00 H new ATOM 0 HG SER A 94 -2.771 -15.905 10.195 1.00 0.00 H new ATOM 1533 N ILE A 98 -8.903 -13.175 5.707 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.838 -12.184 5.744 1.00 0.00 C ATOM 1535 C ILE A 98 -8.347 -10.845 6.260 1.00 0.00 C ATOM 1536 O ILE A 98 -9.204 -10.213 5.643 1.00 0.00 O ATOM 1537 CB ILE A 98 -7.208 -11.986 4.352 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -6.544 -13.280 3.886 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -6.200 -10.843 4.361 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -6.110 -13.231 2.440 1.00 0.00 C ATOM 0 HA ILE A 98 -7.077 -12.562 6.427 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.003 -11.725 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.676 -13.484 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.239 -14.109 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.772 -10.727 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.700 -9.919 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.405 -11.064 5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.645 -14.178 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.979 -13.057 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.392 -12.422 2.303 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.797 -10.413 7.387 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.178 -9.138 7.978 1.00 0.00 C ATOM 1554 C ARG A 99 -6.979 -8.192 7.997 1.00 0.00 C ATOM 1555 O ARG A 99 -6.119 -8.290 8.872 1.00 0.00 O ATOM 1556 CB ARG A 99 -8.706 -9.344 9.399 1.00 0.00 C ATOM 1557 CG ARG A 99 -9.230 -8.072 10.046 1.00 0.00 C ATOM 1558 CD ARG A 99 -10.493 -7.572 9.360 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.687 -8.277 9.827 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.157 -9.394 9.273 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -11.537 -9.947 8.237 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.253 -9.960 9.760 1.00 0.00 N ATOM 0 H ARG A 99 -7.087 -10.926 7.909 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.970 -8.697 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.505 -10.085 9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.908 -9.754 10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.437 -8.258 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.462 -7.299 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.607 -6.504 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.395 -7.700 8.282 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.190 -7.890 10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.693 -9.517 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.905 -10.802 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.733 -9.540 10.556 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.616 -10.815 9.339 1.00 0.00 H new ATOM 1576 N PRO A 100 -6.898 -7.264 7.026 1.00 0.00 N ATOM 1577 CA PRO A 100 -5.787 -6.310 6.939 1.00 0.00 C ATOM 1578 C PRO A 100 -5.712 -5.387 8.148 1.00 0.00 C ATOM 1579 O PRO A 100 -4.631 -4.933 8.526 1.00 0.00 O ATOM 1580 CB PRO A 100 -6.093 -5.513 5.663 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.558 -5.689 5.452 1.00 0.00 C ATOM 1582 CD PRO A 100 -7.872 -7.072 5.937 1.00 0.00 C ATOM 0 HA PRO A 100 -4.821 -6.815 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.833 -4.461 5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.522 -5.889 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.126 -4.941 6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.819 -5.574 4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.899 -7.152 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.749 -7.815 5.149 1.00 0.00 H new ATOM 1590 N ALA A 101 -6.864 -5.109 8.755 1.00 0.00 N ATOM 1591 CA ALA A 101 -6.919 -4.232 9.927 1.00 0.00 C ATOM 1592 C ALA A 101 -8.364 -3.950 10.325 1.00 0.00 C ATOM 1593 O ALA A 101 -9.278 -4.669 9.924 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.181 -2.926 9.647 1.00 0.00 C ATOM 0 H ALA A 101 -7.769 -5.475 8.458 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.429 -4.740 10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.230 -2.284 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.138 -3.140 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.646 -2.419 8.802 1.00 0.00 H new ATOM 1600 N SER A 102 -8.561 -2.901 11.116 1.00 0.00 N ATOM 1601 CA SER A 102 -9.896 -2.528 11.566 1.00 0.00 C ATOM 1602 C SER A 102 -10.429 -1.318 10.799 1.00 0.00 C ATOM 1603 O SER A 102 -11.583 -0.930 10.979 1.00 0.00 O ATOM 1604 CB SER A 102 -9.879 -2.227 13.066 1.00 0.00 C ATOM 1605 OG SER A 102 -8.582 -1.855 13.497 1.00 0.00 O ATOM 0 H SER A 102 -7.815 -2.295 11.458 1.00 0.00 H new ATOM 0 HA SER A 102 -10.561 -3.370 11.371 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.583 -1.425 13.287 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.212 -3.105 13.620 1.00 0.00 H new ATOM 0 HG SER A 102 -8.598 -1.666 14.459 1.00 0.00 H new ATOM 1611 N ALA A 103 -9.593 -0.715 9.950 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.020 0.450 9.183 1.00 0.00 C ATOM 1613 C ALA A 103 -8.947 0.933 8.207 1.00 0.00 C ATOM 1614 O ALA A 103 -8.274 1.933 8.461 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.408 1.578 10.127 1.00 0.00 C ATOM 0 H ALA A 103 -8.632 -1.011 9.780 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.883 0.148 8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.726 2.445 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.226 1.251 10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.550 1.848 10.743 1.00 0.00 H new ATOM 1621 N VAL A 104 -8.802 0.236 7.082 1.00 0.00 N ATOM 1622 CA VAL A 104 -7.815 0.631 6.069 1.00 0.00 C ATOM 1623 C VAL A 104 -8.461 0.814 4.694 1.00 0.00 C ATOM 1624 O VAL A 104 -9.363 0.069 4.315 1.00 0.00 O ATOM 1625 CB VAL A 104 -6.644 -0.373 5.974 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -5.958 -0.510 7.323 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.113 -1.730 5.474 1.00 0.00 C ATOM 0 H VAL A 104 -9.345 -0.595 6.847 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.411 1.590 6.393 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.927 0.015 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.135 -1.220 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.571 0.460 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.675 -0.868 8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.264 -2.411 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.858 -2.133 6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.554 -1.620 4.483 1.00 0.00 H new ATOM 1637 N ASN A 105 -7.997 1.833 3.963 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.530 2.155 2.635 1.00 0.00 C ATOM 1639 C ASN A 105 -7.924 1.280 1.541 1.00 0.00 C ATOM 1640 O ASN A 105 -6.790 0.821 1.654 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.249 3.623 2.286 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.333 4.547 3.483 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -9.101 4.307 4.414 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -7.547 5.616 3.454 1.00 0.00 N ATOM 0 H ASN A 105 -7.248 2.453 4.272 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.603 1.969 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.256 3.701 1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.961 3.953 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.563 6.282 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.927 5.772 2.659 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.678 1.103 0.457 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.204 0.333 -0.689 1.00 0.00 C ATOM 1653 C VAL A 106 -7.372 1.242 -1.582 1.00 0.00 C ATOM 1654 O VAL A 106 -7.865 1.798 -2.562 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.355 -0.284 -1.528 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.220 -1.799 -1.580 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.725 0.118 -0.995 1.00 0.00 C ATOM 0 H VAL A 106 -9.619 1.483 0.350 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.612 -0.495 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.274 0.111 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.034 -2.217 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.266 -2.064 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.262 -2.203 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.502 -0.335 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.830 -0.226 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.824 1.203 -1.027 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.115 1.411 -1.206 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.189 2.276 -1.922 1.00 0.00 C ATOM 1669 C ILE A 107 -4.880 1.793 -3.349 1.00 0.00 C ATOM 1670 O ILE A 107 -3.884 2.208 -3.941 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.878 2.421 -1.113 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.267 3.811 -1.335 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -2.888 1.304 -1.448 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -1.999 3.811 -2.156 1.00 0.00 C ATOM 0 H ILE A 107 -5.706 0.951 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.679 3.244 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.115 2.323 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.005 4.444 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.057 4.262 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.978 1.436 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.335 0.339 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.644 1.340 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.635 4.833 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.242 3.207 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.204 3.393 -3.142 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.735 0.939 -3.910 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.509 0.456 -5.262 1.00 0.00 C ATOM 1688 C GLY A 108 -5.301 -1.044 -5.324 1.00 0.00 C ATOM 1689 O GLY A 108 -6.000 -1.801 -4.649 1.00 0.00 O ATOM 0 H GLY A 108 -6.573 0.576 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.361 0.726 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.636 0.957 -5.680 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.338 -1.476 -6.134 1.00 0.00 N ATOM 1694 CA ARG A 109 -4.042 -2.895 -6.274 1.00 0.00 C ATOM 1695 C ARG A 109 -2.758 -3.116 -7.071 1.00 0.00 C ATOM 1696 O ARG A 109 -2.293 -2.224 -7.780 1.00 0.00 O ATOM 1697 CB ARG A 109 -5.206 -3.646 -6.939 1.00 0.00 C ATOM 1698 CG ARG A 109 -6.092 -2.799 -7.846 1.00 0.00 C ATOM 1699 CD ARG A 109 -7.203 -3.632 -8.464 1.00 0.00 C ATOM 1700 NE ARG A 109 -7.977 -2.873 -9.442 1.00 0.00 N ATOM 1701 CZ ARG A 109 -9.187 -3.229 -9.867 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -9.765 -4.328 -9.399 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -9.821 -2.483 -10.761 1.00 0.00 N ATOM 0 H ARG A 109 -3.752 -0.864 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.901 -3.294 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.798 -4.471 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.827 -4.085 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.525 -1.979 -7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.487 -2.352 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.773 -4.510 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.866 -3.992 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.566 -2.020 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.282 -4.905 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.692 -4.596 -9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -9.381 -1.637 -11.123 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.748 -2.755 -11.087 1.00 0.00 H new ATOM 1717 N ILE A 110 -2.199 -4.316 -6.951 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.976 -4.672 -7.662 1.00 0.00 C ATOM 1719 C ILE A 110 -1.304 -5.241 -9.040 1.00 0.00 C ATOM 1720 O ILE A 110 -1.931 -6.294 -9.151 1.00 0.00 O ATOM 1721 CB ILE A 110 -0.150 -5.706 -6.862 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.218 -5.143 -5.483 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.108 -6.102 -7.627 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.424 -5.876 -4.321 1.00 0.00 C ATOM 0 H ILE A 110 -2.576 -5.061 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.385 -3.764 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.761 -6.598 -6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.301 -5.178 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.074 -4.094 -5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.673 -6.830 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.828 -6.541 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.723 -5.218 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.112 -5.415 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.509 -5.820 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.113 -6.921 -4.333 1.00 0.00 H new ATOM 1736 N VAL A 111 -0.882 -4.537 -10.086 1.00 0.00 N ATOM 1737 CA VAL A 111 -1.144 -4.982 -11.457 1.00 0.00 C ATOM 1738 C VAL A 111 -0.202 -6.115 -11.860 1.00 0.00 C ATOM 1739 O VAL A 111 -0.562 -7.288 -11.779 1.00 0.00 O ATOM 1740 CB VAL A 111 -1.031 -3.835 -12.498 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -2.413 -3.355 -12.927 1.00 0.00 C ATOM 1742 CG2 VAL A 111 -0.197 -2.676 -11.966 1.00 0.00 C ATOM 0 H VAL A 111 -0.361 -3.663 -10.015 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.174 -5.339 -11.459 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.519 -4.235 -13.373 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.309 -2.552 -13.656 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.963 -4.183 -13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.957 -2.987 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.140 -1.892 -12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.661 -2.278 -11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.808 -3.028 -11.732 1.00 0.00 H new ATOM 1816 N LEU A 117 6.510 -9.540 -2.822 1.00 0.00 N ATOM 1817 CA LEU A 117 7.081 -8.714 -1.763 1.00 0.00 C ATOM 1818 C LEU A 117 6.854 -9.343 -0.394 1.00 0.00 C ATOM 1819 O LEU A 117 7.753 -9.359 0.447 1.00 0.00 O ATOM 1820 CB LEU A 117 6.489 -7.305 -1.780 1.00 0.00 C ATOM 1821 CG LEU A 117 7.025 -6.387 -0.675 1.00 0.00 C ATOM 1822 CD1 LEU A 117 8.185 -5.539 -1.177 1.00 0.00 C ATOM 1823 CD2 LEU A 117 5.923 -5.505 -0.111 1.00 0.00 C ATOM 0 HA LEU A 117 8.153 -8.648 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.694 -6.848 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.406 -7.377 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 117 7.395 -7.024 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.543 -4.899 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.994 -6.189 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.850 -4.921 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.333 -4.865 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.509 -4.886 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.135 -6.131 0.309 1.00 0.00 H new ATOM 1835 N LYS A 118 5.643 -9.851 -0.169 1.00 0.00 N ATOM 1836 CA LYS A 118 5.290 -10.476 1.109 1.00 0.00 C ATOM 1837 C LYS A 118 6.414 -11.373 1.640 1.00 0.00 C ATOM 1838 O LYS A 118 6.521 -11.591 2.847 1.00 0.00 O ATOM 1839 CB LYS A 118 3.995 -11.289 0.978 1.00 0.00 C ATOM 1840 CG LYS A 118 3.942 -12.184 -0.252 1.00 0.00 C ATOM 1841 CD LYS A 118 4.585 -13.537 0.013 1.00 0.00 C ATOM 1842 CE LYS A 118 3.564 -14.556 0.495 1.00 0.00 C ATOM 1843 NZ LYS A 118 4.211 -15.725 1.149 1.00 0.00 N ATOM 0 H LYS A 118 4.888 -9.843 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 118 5.137 -9.669 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.875 -11.906 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.149 -10.602 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 118 2.905 -12.326 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.452 -11.694 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.060 -13.900 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.371 -13.427 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.880 -14.080 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.966 -14.898 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.481 -16.395 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.844 -16.195 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.761 -15.403 1.971 1.00 0.00 H new ATOM 1857 N GLY A 119 7.258 -11.883 0.742 1.00 0.00 N ATOM 1858 CA GLY A 119 8.362 -12.733 1.158 1.00 0.00 C ATOM 1859 C GLY A 119 9.627 -11.943 1.454 1.00 0.00 C ATOM 1860 O GLY A 119 10.738 -12.445 1.277 1.00 0.00 O ATOM 0 H GLY A 119 7.196 -11.722 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.071 -13.292 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.569 -13.463 0.376 1.00 0.00 H new ATOM 1864 N VAL A 120 9.456 -10.704 1.905 1.00 0.00 N ATOM 1865 CA VAL A 120 10.582 -9.827 2.231 1.00 0.00 C ATOM 1866 C VAL A 120 11.303 -10.286 3.499 1.00 0.00 C ATOM 1867 O VAL A 120 10.706 -10.931 4.358 1.00 0.00 O ATOM 1868 CB VAL A 120 10.130 -8.364 2.434 1.00 0.00 C ATOM 1869 CG1 VAL A 120 9.920 -7.678 1.093 1.00 0.00 C ATOM 1870 CG2 VAL A 120 8.867 -8.295 3.285 1.00 0.00 C ATOM 0 H VAL A 120 8.541 -10.279 2.055 1.00 0.00 H new ATOM 0 HA VAL A 120 11.262 -9.882 1.381 1.00 0.00 H new ATOM 0 HB VAL A 120 10.920 -7.835 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 120 9.602 -6.648 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.854 -7.684 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.153 -8.209 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.571 -7.254 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.065 -8.843 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.061 -8.739 4.261 1.00 0.00 H new ATOM 1880 N ALA A 121 12.585 -9.941 3.619 1.00 0.00 N ATOM 1881 CA ALA A 121 13.363 -10.307 4.799 1.00 0.00 C ATOM 1882 C ALA A 121 13.040 -9.355 5.948 1.00 0.00 C ATOM 1883 O ALA A 121 12.717 -8.190 5.720 1.00 0.00 O ATOM 1884 CB ALA A 121 14.856 -10.289 4.488 1.00 0.00 C ATOM 0 H ALA A 121 13.103 -9.412 2.917 1.00 0.00 H new ATOM 0 HA ALA A 121 13.095 -11.321 5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.417 -10.565 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.070 -11.001 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.149 -9.289 4.170 1.00 0.00 H new ATOM 1890 N ASP A 122 13.107 -9.850 7.180 1.00 0.00 N ATOM 1891 CA ASP A 122 12.795 -9.028 8.344 1.00 0.00 C ATOM 1892 C ASP A 122 13.666 -7.775 8.408 1.00 0.00 C ATOM 1893 O ASP A 122 14.864 -7.847 8.686 1.00 0.00 O ATOM 1894 CB ASP A 122 12.941 -9.835 9.634 1.00 0.00 C ATOM 1895 CG ASP A 122 14.381 -10.211 9.932 1.00 0.00 C ATOM 1896 OD1 ASP A 122 14.925 -11.084 9.226 1.00 0.00 O ATOM 1897 OD2 ASP A 122 14.963 -9.630 10.873 1.00 0.00 O ATOM 0 H ASP A 122 13.373 -10.810 7.397 1.00 0.00 H new ATOM 0 HA ASP A 122 11.758 -8.708 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.542 -9.256 10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.341 -10.742 9.560 1.00 0.00 H new ATOM 1902 N GLY A 123 13.043 -6.625 8.172 1.00 0.00 N ATOM 1903 CA GLY A 123 13.755 -5.361 8.228 1.00 0.00 C ATOM 1904 C GLY A 123 14.597 -5.074 6.999 1.00 0.00 C ATOM 1905 O GLY A 123 15.704 -5.597 6.861 1.00 0.00 O ATOM 0 H GLY A 123 12.052 -6.546 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.034 -4.554 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.400 -5.357 9.107 1.00 0.00 H new ATOM 1909 N GLU A 124 14.085 -4.220 6.116 1.00 0.00 N ATOM 1910 CA GLU A 124 14.812 -3.840 4.904 1.00 0.00 C ATOM 1911 C GLU A 124 14.373 -2.462 4.417 1.00 0.00 C ATOM 1912 O GLU A 124 13.262 -2.014 4.701 1.00 0.00 O ATOM 1913 CB GLU A 124 14.637 -4.882 3.784 1.00 0.00 C ATOM 1914 CG GLU A 124 13.520 -5.884 4.022 1.00 0.00 C ATOM 1915 CD GLU A 124 13.481 -6.970 2.964 1.00 0.00 C ATOM 1916 OE1 GLU A 124 14.247 -7.948 3.089 1.00 0.00 O ATOM 1917 OE2 GLU A 124 12.686 -6.841 2.009 1.00 0.00 O ATOM 0 H GLU A 124 13.171 -3.778 6.215 1.00 0.00 H new ATOM 0 HA GLU A 124 15.870 -3.801 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.445 -4.360 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.574 -5.425 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.649 -6.341 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.564 -5.361 4.037 1.00 0.00 H new ATOM 1924 N SER A 125 15.264 -1.787 3.694 1.00 0.00 N ATOM 1925 CA SER A 125 14.989 -0.449 3.176 1.00 0.00 C ATOM 1926 C SER A 125 13.731 -0.419 2.310 1.00 0.00 C ATOM 1927 O SER A 125 13.203 -1.459 1.915 1.00 0.00 O ATOM 1928 CB SER A 125 16.187 0.059 2.370 1.00 0.00 C ATOM 1929 OG SER A 125 16.557 1.366 2.773 1.00 0.00 O ATOM 0 H SER A 125 16.187 -2.147 3.453 1.00 0.00 H new ATOM 0 HA SER A 125 14.818 0.204 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.031 -0.618 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 125 15.941 0.059 1.308 1.00 0.00 H new ATOM 0 HG SER A 125 17.325 1.666 2.244 1.00 0.00 H new ATOM 1935 N VAL A 126 13.267 0.794 2.022 1.00 0.00 N ATOM 1936 CA VAL A 126 12.076 1.008 1.200 1.00 0.00 C ATOM 1937 C VAL A 126 12.090 2.411 0.597 1.00 0.00 C ATOM 1938 O VAL A 126 12.286 3.395 1.308 1.00 0.00 O ATOM 1939 CB VAL A 126 10.780 0.818 2.022 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.548 0.999 1.152 1.00 0.00 C ATOM 1941 CG2 VAL A 126 10.762 -0.543 2.689 1.00 0.00 C ATOM 0 H VAL A 126 13.704 1.655 2.350 1.00 0.00 H new ATOM 0 HA VAL A 126 12.093 0.266 0.402 1.00 0.00 H new ATOM 0 HB VAL A 126 10.762 1.584 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.652 0.860 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.547 2.003 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.560 0.264 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.842 -0.655 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.813 -1.322 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.618 -0.632 3.357 1.00 0.00 H new ATOM 1951 N VAL A 127 11.888 2.504 -0.718 1.00 0.00 N ATOM 1952 CA VAL A 127 11.886 3.799 -1.394 1.00 0.00 C ATOM 1953 C VAL A 127 10.626 3.984 -2.234 1.00 0.00 C ATOM 1954 O VAL A 127 10.465 3.354 -3.280 1.00 0.00 O ATOM 1955 CB VAL A 127 13.129 3.973 -2.295 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.401 3.996 -1.459 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.186 2.873 -3.346 1.00 0.00 C ATOM 0 H VAL A 127 11.725 1.705 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 127 11.909 4.559 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 127 13.049 4.930 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.264 4.119 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.358 4.826 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.493 3.059 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 127 14.068 3.012 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.240 1.902 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.291 2.916 -3.967 1.00 0.00 H new ATOM 1967 N VAL A 128 9.737 4.854 -1.767 1.00 0.00 N ATOM 1968 CA VAL A 128 8.484 5.132 -2.470 1.00 0.00 C ATOM 1969 C VAL A 128 8.712 6.171 -3.575 1.00 0.00 C ATOM 1970 O VAL A 128 9.282 7.231 -3.319 1.00 0.00 O ATOM 1971 CB VAL A 128 7.396 5.670 -1.506 1.00 0.00 C ATOM 1972 CG1 VAL A 128 6.021 5.121 -1.861 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.728 5.349 -0.054 1.00 0.00 C ATOM 0 H VAL A 128 9.859 5.381 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 128 8.142 4.191 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 128 7.376 6.754 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.281 5.517 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.761 5.419 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.035 4.033 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.944 5.741 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 128 7.797 4.269 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.681 5.807 0.211 1.00 0.00 H new ATOM 1983 N GLU A 129 8.270 5.872 -4.798 1.00 0.00 N ATOM 1984 CA GLU A 129 8.442 6.797 -5.915 1.00 0.00 C ATOM 1985 C GLU A 129 7.365 6.587 -6.981 1.00 0.00 C ATOM 1986 O GLU A 129 7.110 5.460 -7.402 1.00 0.00 O ATOM 1987 CB GLU A 129 9.829 6.613 -6.537 1.00 0.00 C ATOM 1988 CG GLU A 129 10.186 5.161 -6.805 1.00 0.00 C ATOM 1989 CD GLU A 129 11.683 4.937 -6.900 1.00 0.00 C ATOM 1990 OE1 GLU A 129 12.365 5.033 -5.858 1.00 0.00 O ATOM 1991 OE2 GLU A 129 12.173 4.668 -8.018 1.00 0.00 O ATOM 0 H GLU A 129 7.794 5.002 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 129 8.346 7.812 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.875 7.169 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.577 7.046 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.779 4.538 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.715 4.840 -7.734 1.00 0.00 H new ATOM 1998 N ARG A 130 6.743 7.682 -7.417 1.00 0.00 N ATOM 1999 CA ARG A 130 5.700 7.618 -8.438 1.00 0.00 C ATOM 2000 C ARG A 130 6.307 7.405 -9.822 1.00 0.00 C ATOM 2001 O ARG A 130 6.620 8.364 -10.527 1.00 0.00 O ATOM 2002 CB ARG A 130 4.875 8.907 -8.424 1.00 0.00 C ATOM 2003 CG ARG A 130 3.785 8.955 -9.483 1.00 0.00 C ATOM 2004 CD ARG A 130 4.243 9.702 -10.727 1.00 0.00 C ATOM 2005 NE ARG A 130 4.290 8.832 -11.901 1.00 0.00 N ATOM 2006 CZ ARG A 130 3.213 8.442 -12.579 1.00 0.00 C ATOM 2007 NH1 ARG A 130 2.005 8.837 -12.200 1.00 0.00 N ATOM 2008 NH2 ARG A 130 3.346 7.654 -13.637 1.00 0.00 N ATOM 0 H ARG A 130 6.944 8.623 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 130 5.051 6.772 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.418 9.023 -7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.544 9.756 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.496 7.940 -9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.899 9.440 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.567 10.535 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.231 10.128 -10.551 1.00 0.00 H new ATOM 0 HE ARG A 130 5.202 8.505 -12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 130 1.898 9.442 -11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 130 1.183 8.536 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 130 4.273 7.347 -13.931 1.00 0.00 H new ATOM 0 HH22 ARG A 130 2.521 7.355 -14.157 1.00 0.00 H new ATOM 2022 N ALA A 131 6.468 6.140 -10.202 1.00 0.00 N ATOM 2023 CA ALA A 131 7.035 5.784 -11.505 1.00 0.00 C ATOM 2024 C ALA A 131 8.221 6.674 -11.868 1.00 0.00 C ATOM 2025 O ALA A 131 8.521 6.795 -13.075 1.00 0.00 O ATOM 2026 CB ALA A 131 5.961 5.865 -12.576 1.00 0.00 C ATOM 2027 OXT ALA A 131 8.839 7.243 -10.944 1.00 0.00 O ATOM 0 H ALA A 131 6.213 5.339 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 131 7.404 4.760 -11.443 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.390 5.599 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.154 5.174 -12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.568 6.881 -12.621 1.00 0.00 H new