USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0.797 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 1.62 (180deg=1.24) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0654 X(o=0.065,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.289 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.78 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 4:sc= 0.0286 USER MOD Single : A 95 THR OG1 : rot -14:sc= 0.536 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 117 CYS SG : rot -46:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.001 3.895 11.626 1.00 0.00 N ATOM 120 CA VAL A 13 -8.427 3.710 11.385 1.00 0.00 C ATOM 121 C VAL A 13 -8.869 2.299 11.757 1.00 0.00 C ATOM 122 O VAL A 13 -9.826 2.114 12.508 1.00 0.00 O ATOM 123 CB VAL A 13 -8.787 3.978 9.912 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.270 3.740 9.673 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.395 5.394 9.517 1.00 0.00 C ATOM 0 HA VAL A 13 -8.950 4.429 12.015 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.227 3.283 9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.506 3.934 8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.516 2.706 9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.853 4.409 10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.657 5.566 8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.926 6.108 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.321 5.524 9.648 1.00 0.00 H new ATOM 135 N LYS A 14 -8.164 1.306 11.226 1.00 0.00 N ATOM 136 CA LYS A 14 -8.480 -0.091 11.502 1.00 0.00 C ATOM 137 C LYS A 14 -7.221 -0.874 11.860 1.00 0.00 C ATOM 138 O LYS A 14 -6.164 -0.670 11.264 1.00 0.00 O ATOM 139 CB LYS A 14 -9.164 -0.729 10.291 1.00 0.00 C ATOM 140 CG LYS A 14 -9.891 -2.023 10.615 1.00 0.00 C ATOM 141 CD LYS A 14 -9.979 -2.932 9.400 1.00 0.00 C ATOM 142 CE LYS A 14 -10.596 -4.276 9.753 1.00 0.00 C ATOM 143 NZ LYS A 14 -9.695 -5.091 10.614 1.00 0.00 N ATOM 0 H LYS A 14 -7.369 1.443 10.601 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.159 -0.122 12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.875 -0.018 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.416 -0.925 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.372 -2.541 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.895 -1.797 10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.575 -2.449 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.982 -3.085 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.544 -4.117 10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.818 -4.825 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.004 -6.084 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.721 -5.026 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.730 -4.733 11.590 1.00 0.00 H new ATOM 157 N GLN A 15 -7.344 -1.770 12.834 1.00 0.00 N ATOM 158 CA GLN A 15 -6.215 -2.583 13.269 1.00 0.00 C ATOM 159 C GLN A 15 -6.519 -4.069 13.104 1.00 0.00 C ATOM 160 O GLN A 15 -7.640 -4.513 13.344 1.00 0.00 O ATOM 161 CB GLN A 15 -5.872 -2.280 14.728 1.00 0.00 C ATOM 162 CG GLN A 15 -5.012 -1.039 14.906 1.00 0.00 C ATOM 163 CD GLN A 15 -4.456 -0.911 16.310 1.00 0.00 C ATOM 164 OE1 GLN A 15 -4.679 -1.773 17.160 1.00 0.00 O ATOM 165 NE2 GLN A 15 -3.726 0.170 16.562 1.00 0.00 N ATOM 0 H GLN A 15 -8.213 -1.951 13.336 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.358 -2.334 12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.797 -2.155 15.291 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.352 -3.137 15.156 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.187 -1.068 14.194 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.604 -0.154 14.672 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.566 0.860 15.828 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.326 0.310 17.490 1.00 0.00 H new ATOM 174 N GLY A 16 -5.511 -4.832 12.692 1.00 0.00 N ATOM 175 CA GLY A 16 -5.691 -6.260 12.501 1.00 0.00 C ATOM 176 C GLY A 16 -4.427 -6.945 12.024 1.00 0.00 C ATOM 177 O GLY A 16 -3.437 -6.286 11.705 1.00 0.00 O ATOM 0 H GLY A 16 -4.573 -4.487 12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.013 -6.711 13.440 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.488 -6.429 11.776 1.00 0.00 H new ATOM 181 N PHE A 17 -4.457 -8.273 11.975 1.00 0.00 N ATOM 182 CA PHE A 17 -3.303 -9.049 11.536 1.00 0.00 C ATOM 183 C PHE A 17 -3.482 -9.521 10.096 1.00 0.00 C ATOM 184 O PHE A 17 -4.523 -10.070 9.735 1.00 0.00 O ATOM 185 CB PHE A 17 -3.091 -10.252 12.456 1.00 0.00 C ATOM 186 CG PHE A 17 -2.551 -9.885 13.809 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.337 -9.228 13.930 1.00 0.00 C ATOM 188 CD2 PHE A 17 -3.258 -10.196 14.960 1.00 0.00 C ATOM 189 CE1 PHE A 17 -0.838 -8.888 15.173 1.00 0.00 C ATOM 190 CE2 PHE A 17 -2.764 -9.858 16.205 1.00 0.00 C ATOM 191 CZ PHE A 17 -1.552 -9.204 16.312 1.00 0.00 C ATOM 0 H PHE A 17 -5.268 -8.834 12.234 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.424 -8.406 11.583 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.039 -10.775 12.582 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.404 -10.949 11.976 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.774 -8.979 13.043 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.206 -10.708 14.883 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.109 -8.376 15.254 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.325 -10.105 17.094 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.164 -8.940 17.285 1.00 0.00 H new ATOM 201 N LEU A 18 -2.459 -9.302 9.277 1.00 0.00 N ATOM 202 CA LEU A 18 -2.502 -9.704 7.875 1.00 0.00 C ATOM 203 C LEU A 18 -1.401 -10.713 7.565 1.00 0.00 C ATOM 204 O LEU A 18 -0.382 -10.767 8.253 1.00 0.00 O ATOM 205 CB LEU A 18 -2.358 -8.480 6.969 1.00 0.00 C ATOM 206 CG LEU A 18 -3.607 -7.613 6.809 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.248 -6.270 6.191 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.649 -8.330 5.963 1.00 0.00 C ATOM 0 H LEU A 18 -1.590 -8.849 9.559 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.466 -10.176 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.555 -7.856 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.046 -8.819 5.981 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.031 -7.434 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.149 -5.666 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.538 -5.751 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.800 -6.429 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.531 -7.698 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.235 -8.540 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.928 -9.266 6.446 1.00 0.00 H new ATOM 220 N TYR A 19 -1.613 -11.510 6.523 1.00 0.00 N ATOM 221 CA TYR A 19 -0.639 -12.518 6.121 1.00 0.00 C ATOM 222 C TYR A 19 0.019 -12.142 4.797 1.00 0.00 C ATOM 223 O TYR A 19 -0.659 -11.796 3.829 1.00 0.00 O ATOM 224 CB TYR A 19 -1.311 -13.886 5.998 1.00 0.00 C ATOM 225 CG TYR A 19 -2.348 -14.150 7.067 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.986 -14.250 8.404 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.690 -14.297 6.739 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.930 -14.491 9.384 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.641 -14.538 7.712 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.256 -14.634 9.033 1.00 0.00 C ATOM 231 OH TYR A 19 -5.200 -14.873 10.005 1.00 0.00 O ATOM 0 H TYR A 19 -2.451 -11.477 5.942 1.00 0.00 H new ATOM 0 HA TYR A 19 0.133 -12.567 6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.783 -13.963 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.547 -14.662 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.949 -14.137 8.683 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.995 -14.222 5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.631 -14.567 10.419 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.680 -14.651 7.440 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.085 -14.947 9.590 1.00 0.00 H new ATOM 241 N LEU A 20 1.346 -12.211 4.763 1.00 0.00 N ATOM 242 CA LEU A 20 2.098 -11.879 3.559 1.00 0.00 C ATOM 243 C LEU A 20 2.957 -13.058 3.111 1.00 0.00 C ATOM 244 O LEU A 20 3.945 -13.400 3.761 1.00 0.00 O ATOM 245 CB LEU A 20 2.982 -10.655 3.807 1.00 0.00 C ATOM 246 CG LEU A 20 3.988 -10.319 2.705 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.286 -10.190 1.362 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.739 -9.039 3.042 1.00 0.00 C ATOM 0 H LEU A 20 1.922 -12.494 5.556 1.00 0.00 H new ATOM 0 HA LEU A 20 1.385 -11.650 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.336 -9.790 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.530 -10.810 4.737 1.00 0.00 H new ATOM 0 HG LEU A 20 4.710 -11.133 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.018 -9.951 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.794 -11.131 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.542 -9.395 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.451 -8.815 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.031 -8.216 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.274 -9.168 3.983 1.00 0.00 H new ATOM 260 N GLN A 21 2.575 -13.672 1.996 1.00 0.00 N ATOM 261 CA GLN A 21 3.311 -14.811 1.461 1.00 0.00 C ATOM 262 C GLN A 21 4.742 -14.418 1.109 1.00 0.00 C ATOM 263 O GLN A 21 4.965 -13.505 0.313 1.00 0.00 O ATOM 264 CB GLN A 21 2.603 -15.368 0.225 1.00 0.00 C ATOM 265 CG GLN A 21 2.913 -16.831 -0.047 1.00 0.00 C ATOM 266 CD GLN A 21 2.350 -17.311 -1.370 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.930 -17.069 -2.429 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.214 -17.997 -1.317 1.00 0.00 N ATOM 0 H GLN A 21 1.760 -13.400 1.446 1.00 0.00 H new ATOM 0 HA GLN A 21 3.345 -15.583 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.527 -15.251 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.890 -14.777 -0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.993 -16.976 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.506 -17.441 0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.767 -18.175 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.789 -18.346 -2.176 1.00 0.00 H new ATOM 413 N TRP A 30 3.155 -18.705 5.350 1.00 0.00 N ATOM 414 CA TRP A 30 2.527 -17.431 5.678 1.00 0.00 C ATOM 415 C TRP A 30 2.939 -16.963 7.070 1.00 0.00 C ATOM 416 O TRP A 30 3.091 -17.772 7.986 1.00 0.00 O ATOM 417 CB TRP A 30 1.004 -17.553 5.598 1.00 0.00 C ATOM 418 CG TRP A 30 0.495 -17.712 4.197 1.00 0.00 C ATOM 419 CD1 TRP A 30 0.278 -18.885 3.532 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.140 -16.663 3.290 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.190 -18.628 2.266 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.285 -17.272 2.093 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.138 -15.268 3.373 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.705 -16.533 0.991 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.280 -14.536 2.278 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.697 -15.169 1.099 1.00 0.00 C ATOM 0 HA TRP A 30 2.864 -16.691 4.952 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.683 -18.408 6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.552 -16.667 6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.449 -19.870 3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -0.428 -19.333 1.568 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.457 -14.771 4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.026 -17.019 0.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.285 -13.457 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.018 -14.569 0.260 1.00 0.00 H new ATOM 437 N ARG A 31 3.118 -15.655 7.221 1.00 0.00 N ATOM 438 CA ARG A 31 3.513 -15.082 8.502 1.00 0.00 C ATOM 439 C ARG A 31 2.702 -13.826 8.809 1.00 0.00 C ATOM 440 O ARG A 31 2.670 -12.886 8.014 1.00 0.00 O ATOM 441 CB ARG A 31 5.006 -14.749 8.497 1.00 0.00 C ATOM 442 CG ARG A 31 5.904 -15.975 8.531 1.00 0.00 C ATOM 443 CD ARG A 31 7.365 -15.591 8.700 1.00 0.00 C ATOM 444 NE ARG A 31 7.594 -14.834 9.928 1.00 0.00 N ATOM 445 CZ ARG A 31 8.801 -14.586 10.424 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.883 -15.033 9.800 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.928 -13.890 11.546 1.00 0.00 N ATOM 0 H ARG A 31 2.996 -14.973 6.473 1.00 0.00 H new ATOM 0 HA ARG A 31 3.315 -15.821 9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.236 -14.165 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.232 -14.120 9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.601 -16.627 9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.780 -16.543 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.978 -16.492 8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.685 -14.998 7.843 1.00 0.00 H new ATOM 0 HE ARG A 31 6.783 -14.476 10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.789 -15.569 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.809 -14.841 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.098 -13.545 12.029 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.855 -13.700 11.926 1.00 0.00 H new ATOM 461 N ARG A 32 2.048 -13.818 9.966 1.00 0.00 N ATOM 462 CA ARG A 32 1.236 -12.679 10.376 1.00 0.00 C ATOM 463 C ARG A 32 2.113 -11.554 10.919 1.00 0.00 C ATOM 464 O ARG A 32 3.045 -11.794 11.686 1.00 0.00 O ATOM 465 CB ARG A 32 0.220 -13.106 11.438 1.00 0.00 C ATOM 466 CG ARG A 32 0.798 -13.172 12.842 1.00 0.00 C ATOM 467 CD ARG A 32 -0.078 -14.003 13.766 1.00 0.00 C ATOM 468 NE ARG A 32 0.697 -14.644 14.825 1.00 0.00 N ATOM 469 CZ ARG A 32 0.150 -15.310 15.836 1.00 0.00 C ATOM 470 NH1 ARG A 32 -1.168 -15.423 15.924 1.00 0.00 N ATOM 471 NH2 ARG A 32 0.923 -15.866 16.760 1.00 0.00 N ATOM 0 H ARG A 32 2.065 -14.587 10.636 1.00 0.00 H new ATOM 0 HA ARG A 32 0.703 -12.310 9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.616 -12.407 11.431 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.181 -14.084 11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.799 -13.601 12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.898 -12.164 13.243 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.842 -13.366 14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.597 -14.765 13.185 1.00 0.00 H new ATOM 0 HE ARG A 32 1.714 -14.577 14.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.765 -14.998 15.214 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.585 -15.935 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.937 -15.782 16.694 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.503 -16.377 17.536 1.00 0.00 H new ATOM 485 N PHE A 33 1.807 -10.325 10.516 1.00 0.00 N ATOM 486 CA PHE A 33 2.567 -9.163 10.960 1.00 0.00 C ATOM 487 C PHE A 33 1.634 -8.024 11.363 1.00 0.00 C ATOM 488 O PHE A 33 0.735 -7.649 10.612 1.00 0.00 O ATOM 489 CB PHE A 33 3.515 -8.694 9.855 1.00 0.00 C ATOM 490 CG PHE A 33 4.407 -9.782 9.329 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.578 -10.116 9.990 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.075 -10.470 8.173 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.402 -11.116 9.509 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.894 -11.472 7.688 1.00 0.00 C ATOM 495 CZ PHE A 33 6.060 -11.795 8.356 1.00 0.00 C ATOM 0 H PHE A 33 1.038 -10.108 9.882 1.00 0.00 H new ATOM 0 HA PHE A 33 3.153 -9.455 11.832 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.928 -8.287 9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.133 -7.882 10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.850 -9.588 10.892 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.166 -10.221 7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.312 -11.366 10.034 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.623 -12.003 6.787 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.702 -12.576 7.977 1.00 0.00 H new ATOM 505 N GLY A 34 1.856 -7.479 12.555 1.00 0.00 N ATOM 506 CA GLY A 34 1.028 -6.390 13.038 1.00 0.00 C ATOM 507 C GLY A 34 0.680 -5.397 11.946 1.00 0.00 C ATOM 508 O GLY A 34 1.476 -4.516 11.623 1.00 0.00 O ATOM 0 H GLY A 34 2.594 -7.772 13.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.109 -6.796 13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.548 -5.872 13.844 1.00 0.00 H new ATOM 512 N ALA A 35 -0.511 -5.541 11.375 1.00 0.00 N ATOM 513 CA ALA A 35 -0.962 -4.650 10.314 1.00 0.00 C ATOM 514 C ALA A 35 -1.807 -3.511 10.875 1.00 0.00 C ATOM 515 O ALA A 35 -2.786 -3.744 11.584 1.00 0.00 O ATOM 516 CB ALA A 35 -1.748 -5.428 9.269 1.00 0.00 C ATOM 0 H ALA A 35 -1.181 -6.267 11.630 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.082 -4.215 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.079 -4.749 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.113 -6.202 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.617 -5.891 9.737 1.00 0.00 H new ATOM 522 N SER A 36 -1.423 -2.280 10.553 1.00 0.00 N ATOM 523 CA SER A 36 -2.143 -1.105 11.028 1.00 0.00 C ATOM 524 C SER A 36 -2.590 -0.232 9.860 1.00 0.00 C ATOM 525 O SER A 36 -1.773 0.210 9.051 1.00 0.00 O ATOM 526 CB SER A 36 -1.264 -0.292 11.980 1.00 0.00 C ATOM 527 OG SER A 36 0.080 -0.263 11.533 1.00 0.00 O ATOM 0 H SER A 36 -0.617 -2.071 9.965 1.00 0.00 H new ATOM 0 HA SER A 36 -3.029 -1.445 11.564 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.648 0.725 12.055 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.309 -0.724 12.980 1.00 0.00 H new ATOM 0 HG SER A 36 0.621 0.264 12.157 1.00 0.00 H new ATOM 533 N LEU A 37 -3.893 0.013 9.777 1.00 0.00 N ATOM 534 CA LEU A 37 -4.451 0.834 8.708 1.00 0.00 C ATOM 535 C LEU A 37 -4.540 2.296 9.134 1.00 0.00 C ATOM 536 O LEU A 37 -5.232 2.632 10.096 1.00 0.00 O ATOM 537 CB LEU A 37 -5.837 0.321 8.315 1.00 0.00 C ATOM 538 CG LEU A 37 -6.413 0.875 7.011 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.628 0.356 5.817 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.885 0.513 6.882 1.00 0.00 C ATOM 0 H LEU A 37 -4.583 -0.345 10.437 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.787 0.765 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.791 -0.765 8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.531 0.553 9.123 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.327 1.961 7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.053 0.761 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.587 0.667 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.681 -0.732 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.278 0.915 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.995 -0.571 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.438 0.935 7.721 1.00 0.00 H new ATOM 552 N TYR A 38 -3.838 3.161 8.411 1.00 0.00 N ATOM 553 CA TYR A 38 -3.837 4.588 8.714 1.00 0.00 C ATOM 554 C TYR A 38 -4.459 5.387 7.573 1.00 0.00 C ATOM 555 O TYR A 38 -4.512 4.926 6.433 1.00 0.00 O ATOM 556 CB TYR A 38 -2.410 5.074 8.974 1.00 0.00 C ATOM 557 CG TYR A 38 -1.821 4.559 10.268 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.231 5.071 11.493 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.854 3.561 10.265 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.695 4.604 12.677 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.314 3.087 11.445 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.737 3.612 12.648 1.00 0.00 C ATOM 563 OH TYR A 38 -0.201 3.143 13.825 1.00 0.00 O ATOM 0 H TYR A 38 -3.262 2.899 7.611 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.436 4.744 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.773 4.764 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.404 6.164 8.990 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.981 5.847 11.520 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.519 3.149 9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.024 5.013 13.621 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.435 2.310 11.425 1.00 0.00 H new ATOM 0 HH TYR A 38 0.459 2.445 13.629 1.00 0.00 H new ATOM 573 N GLY A 39 -4.928 6.590 7.889 1.00 0.00 N ATOM 574 CA GLY A 39 -5.540 7.436 6.881 1.00 0.00 C ATOM 575 C GLY A 39 -6.133 8.701 7.468 1.00 0.00 C ATOM 576 O GLY A 39 -6.466 8.748 8.652 1.00 0.00 O ATOM 0 H GLY A 39 -4.895 6.994 8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.794 7.702 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.322 6.876 6.367 1.00 0.00 H new ATOM 650 N ALA A 46 -2.084 8.240 5.023 1.00 0.00 N ATOM 651 CA ALA A 46 -2.483 6.864 4.755 1.00 0.00 C ATOM 652 C ALA A 46 -1.275 6.001 4.404 1.00 0.00 C ATOM 653 O ALA A 46 -0.568 6.272 3.433 1.00 0.00 O ATOM 654 CB ALA A 46 -3.509 6.820 3.632 1.00 0.00 C ATOM 0 HA ALA A 46 -2.935 6.460 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.797 5.786 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.389 7.395 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.077 7.247 2.727 1.00 0.00 H new ATOM 660 N ARG A 47 -1.044 4.962 5.201 1.00 0.00 N ATOM 661 CA ARG A 47 0.079 4.061 4.975 1.00 0.00 C ATOM 662 C ARG A 47 -0.086 2.774 5.777 1.00 0.00 C ATOM 663 O ARG A 47 -0.593 2.790 6.900 1.00 0.00 O ATOM 664 CB ARG A 47 1.394 4.746 5.355 1.00 0.00 C ATOM 665 CG ARG A 47 1.533 5.013 6.845 1.00 0.00 C ATOM 666 CD ARG A 47 2.977 5.296 7.228 1.00 0.00 C ATOM 667 NE ARG A 47 3.228 5.038 8.643 1.00 0.00 N ATOM 668 CZ ARG A 47 2.865 5.865 9.617 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.237 6.997 9.329 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.129 5.561 10.881 1.00 0.00 N ATOM 0 H ARG A 47 -1.620 4.724 6.009 1.00 0.00 H new ATOM 0 HA ARG A 47 0.101 3.808 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.226 4.123 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.471 5.691 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.909 5.862 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.169 4.152 7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.640 4.677 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.215 6.335 7.001 1.00 0.00 H new ATOM 0 HE ARG A 47 3.709 4.175 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.032 7.234 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.959 7.631 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.611 4.691 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.850 6.197 11.628 1.00 0.00 H new ATOM 684 N LEU A 48 0.343 1.660 5.193 1.00 0.00 N ATOM 685 CA LEU A 48 0.242 0.363 5.853 1.00 0.00 C ATOM 686 C LEU A 48 1.577 -0.040 6.470 1.00 0.00 C ATOM 687 O LEU A 48 2.527 -0.365 5.758 1.00 0.00 O ATOM 688 CB LEU A 48 -0.216 -0.704 4.857 1.00 0.00 C ATOM 689 CG LEU A 48 -1.028 -1.861 5.438 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.386 -1.373 5.918 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.192 -2.969 4.407 1.00 0.00 C ATOM 0 H LEU A 48 0.764 1.629 4.264 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.495 0.446 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.814 -0.219 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.666 -1.116 4.366 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.487 -2.265 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.950 -2.211 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.249 -0.616 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.935 -0.942 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.773 -3.784 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.711 -2.578 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.210 -3.339 4.112 1.00 0.00 H new ATOM 703 N GLU A 49 1.641 -0.018 7.797 1.00 0.00 N ATOM 704 CA GLU A 49 2.860 -0.382 8.509 1.00 0.00 C ATOM 705 C GLU A 49 2.884 -1.876 8.819 1.00 0.00 C ATOM 706 O GLU A 49 1.837 -2.501 8.998 1.00 0.00 O ATOM 707 CB GLU A 49 2.980 0.420 9.806 1.00 0.00 C ATOM 708 CG GLU A 49 3.450 1.850 9.597 1.00 0.00 C ATOM 709 CD GLU A 49 4.962 1.973 9.606 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.615 1.198 10.335 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.490 2.845 8.885 1.00 0.00 O ATOM 0 H GLU A 49 0.863 0.248 8.401 1.00 0.00 H new ATOM 0 HA GLU A 49 3.708 -0.148 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.011 0.434 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.675 -0.088 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.064 2.220 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.033 2.484 10.379 1.00 0.00 H new ATOM 718 N LEU A 50 4.084 -2.443 8.879 1.00 0.00 N ATOM 719 CA LEU A 50 4.245 -3.864 9.166 1.00 0.00 C ATOM 720 C LEU A 50 5.375 -4.093 10.164 1.00 0.00 C ATOM 721 O LEU A 50 6.452 -3.509 10.041 1.00 0.00 O ATOM 722 CB LEU A 50 4.524 -4.637 7.876 1.00 0.00 C ATOM 723 CG LEU A 50 3.386 -4.674 6.856 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.834 -5.370 5.580 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.165 -5.367 7.443 1.00 0.00 C ATOM 0 H LEU A 50 4.960 -1.941 8.733 1.00 0.00 H new ATOM 0 HA LEU A 50 3.317 -4.228 9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.400 -4.200 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.782 -5.663 8.139 1.00 0.00 H new ATOM 0 HG LEU A 50 3.113 -3.648 6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.010 -5.387 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.677 -4.831 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.136 -6.392 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.365 -5.384 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.425 -6.389 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.829 -4.825 8.327 1.00 0.00 H new ATOM 737 N GLN A 51 5.123 -4.948 11.150 1.00 0.00 N ATOM 738 CA GLN A 51 6.121 -5.255 12.168 1.00 0.00 C ATOM 739 C GLN A 51 6.092 -6.737 12.530 1.00 0.00 C ATOM 740 O GLN A 51 5.031 -7.297 12.805 1.00 0.00 O ATOM 741 CB GLN A 51 5.881 -4.408 13.420 1.00 0.00 C ATOM 742 CG GLN A 51 7.122 -4.226 14.278 1.00 0.00 C ATOM 743 CD GLN A 51 8.198 -3.414 13.583 1.00 0.00 C ATOM 744 OE1 GLN A 51 8.791 -3.861 12.601 1.00 0.00 O ATOM 745 NE2 GLN A 51 8.455 -2.215 14.091 1.00 0.00 N ATOM 0 H GLN A 51 4.237 -5.440 11.266 1.00 0.00 H new ATOM 0 HA GLN A 51 7.104 -5.018 11.760 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.510 -3.428 13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.100 -4.875 14.020 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.846 -3.733 15.210 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.524 -5.204 14.541 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.938 -1.885 14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.169 -1.623 13.666 1.00 0.00 H new ATOM 959 N LYS A 65 8.960 -2.236 7.579 1.00 0.00 N ATOM 960 CA LYS A 65 8.336 -2.446 6.278 1.00 0.00 C ATOM 961 C LYS A 65 7.008 -1.703 6.184 1.00 0.00 C ATOM 962 O LYS A 65 6.037 -2.059 6.853 1.00 0.00 O ATOM 963 CB LYS A 65 8.116 -3.940 6.030 1.00 0.00 C ATOM 964 CG LYS A 65 7.389 -4.241 4.731 1.00 0.00 C ATOM 965 CD LYS A 65 8.358 -4.379 3.569 1.00 0.00 C ATOM 966 CE LYS A 65 7.635 -4.743 2.281 1.00 0.00 C ATOM 967 NZ LYS A 65 8.436 -4.389 1.077 1.00 0.00 N ATOM 0 HA LYS A 65 9.006 -2.052 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.082 -4.444 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.546 -4.357 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.815 -5.162 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.676 -3.444 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.899 -3.443 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.099 -5.144 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.422 -5.812 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.676 -4.226 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.909 -4.653 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.618 -3.365 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.341 -4.902 1.099 1.00 0.00 H new ATOM 981 N VAL A 66 6.970 -0.670 5.349 1.00 0.00 N ATOM 982 CA VAL A 66 5.759 0.122 5.166 1.00 0.00 C ATOM 983 C VAL A 66 5.440 0.304 3.687 1.00 0.00 C ATOM 984 O VAL A 66 6.331 0.560 2.876 1.00 0.00 O ATOM 985 CB VAL A 66 5.889 1.507 5.827 1.00 0.00 C ATOM 986 CG1 VAL A 66 7.002 2.310 5.170 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.567 2.257 5.756 1.00 0.00 C ATOM 0 H VAL A 66 7.764 -0.362 4.788 1.00 0.00 H new ATOM 0 HA VAL A 66 4.947 -0.426 5.645 1.00 0.00 H new ATOM 0 HB VAL A 66 6.146 1.367 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.079 3.286 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.947 1.777 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.778 2.443 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.677 3.233 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.279 2.388 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.797 1.687 6.276 1.00 0.00 H new ATOM 997 N ILE A 67 4.164 0.171 3.342 1.00 0.00 N ATOM 998 CA ILE A 67 3.727 0.323 1.959 1.00 0.00 C ATOM 999 C ILE A 67 2.681 1.426 1.831 1.00 0.00 C ATOM 1000 O ILE A 67 1.497 1.205 2.087 1.00 0.00 O ATOM 1001 CB ILE A 67 3.142 -0.990 1.406 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.166 -2.121 1.527 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.713 -0.810 -0.042 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.540 -3.492 1.652 1.00 0.00 C ATOM 0 H ILE A 67 3.415 -0.042 4.000 1.00 0.00 H new ATOM 0 HA ILE A 67 4.609 0.592 1.377 1.00 0.00 H new ATOM 0 HB ILE A 67 2.264 -1.256 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.817 -2.106 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.797 -1.938 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.302 -1.746 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.954 -0.030 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.575 -0.524 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.325 -4.244 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.911 -3.525 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.932 -3.696 0.771 1.00 0.00 H new ATOM 1016 N ARG A 68 3.127 2.613 1.432 1.00 0.00 N ATOM 1017 CA ARG A 68 2.230 3.750 1.270 1.00 0.00 C ATOM 1018 C ARG A 68 0.974 3.347 0.503 1.00 0.00 C ATOM 1019 O ARG A 68 1.055 2.776 -0.586 1.00 0.00 O ATOM 1020 CB ARG A 68 2.943 4.889 0.538 1.00 0.00 C ATOM 1021 CG ARG A 68 4.167 5.412 1.272 1.00 0.00 C ATOM 1022 CD ARG A 68 5.196 5.979 0.307 1.00 0.00 C ATOM 1023 NE ARG A 68 4.982 7.400 0.050 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.767 8.132 -0.732 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.813 7.579 -1.331 1.00 0.00 N ATOM 1026 NH2 ARG A 68 5.507 9.420 -0.916 1.00 0.00 N ATOM 0 H ARG A 68 4.104 2.812 1.215 1.00 0.00 H new ATOM 0 HA ARG A 68 1.935 4.092 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.243 4.542 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.241 5.709 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.866 6.185 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.616 4.606 1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.196 5.831 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.152 5.430 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 68 4.186 7.856 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.016 6.589 -1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.414 8.143 -1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.704 9.849 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.111 9.981 -1.517 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.186 3.646 1.077 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.459 3.314 0.448 1.00 0.00 C ATOM 1042 C LEU A 69 -1.640 4.085 -0.855 1.00 0.00 C ATOM 1043 O LEU A 69 -2.292 3.609 -1.785 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.616 3.622 1.401 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.846 2.613 2.526 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.128 2.935 3.278 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.892 1.197 1.971 1.00 0.00 C ATOM 0 H LEU A 69 -0.271 4.118 1.977 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.457 2.248 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.441 4.601 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.532 3.698 0.815 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.012 2.681 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.275 2.206 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.056 3.934 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.973 2.896 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.056 0.492 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.706 1.115 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.947 0.968 1.479 1.00 0.00 H new ATOM 1059 N SER A 70 -1.057 5.278 -0.918 1.00 0.00 N ATOM 1060 CA SER A 70 -1.154 6.115 -2.107 1.00 0.00 C ATOM 1061 C SER A 70 -0.336 5.529 -3.253 1.00 0.00 C ATOM 1062 O SER A 70 -0.622 5.777 -4.425 1.00 0.00 O ATOM 1063 CB SER A 70 -0.675 7.535 -1.798 1.00 0.00 C ATOM 1064 OG SER A 70 -0.558 8.303 -2.983 1.00 0.00 O ATOM 0 H SER A 70 -0.512 5.686 -0.159 1.00 0.00 H new ATOM 0 HA SER A 70 -2.200 6.150 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.375 8.018 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.289 7.495 -1.290 1.00 0.00 H new ATOM 0 HG SER A 70 -0.252 9.206 -2.758 1.00 0.00 H new ATOM 1070 N ASP A 71 0.682 4.750 -2.907 1.00 0.00 N ATOM 1071 CA ASP A 71 1.543 4.126 -3.905 1.00 0.00 C ATOM 1072 C ASP A 71 0.843 2.939 -4.561 1.00 0.00 C ATOM 1073 O ASP A 71 1.160 2.565 -5.690 1.00 0.00 O ATOM 1074 CB ASP A 71 2.855 3.670 -3.266 1.00 0.00 C ATOM 1075 CG ASP A 71 3.782 3.000 -4.261 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.506 1.843 -4.643 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.782 3.632 -4.658 1.00 0.00 O ATOM 0 H ASP A 71 0.932 4.535 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 71 1.761 4.867 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.360 4.530 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.638 2.977 -2.453 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.110 2.352 -3.845 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.854 1.206 -4.356 1.00 0.00 C ATOM 1084 C CYS A 72 -1.392 1.488 -5.755 1.00 0.00 C ATOM 1085 O CYS A 72 -2.391 2.191 -5.918 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.007 0.859 -3.413 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.489 0.484 -1.722 1.00 0.00 S ATOM 0 H CYS A 72 -0.386 2.651 -2.909 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.173 0.357 -4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.708 1.694 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.546 0.001 -3.815 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.533 0.205 -1.000 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.725 0.936 -6.762 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.135 1.129 -8.149 1.00 0.00 C ATOM 1095 C LEU A 73 -2.599 0.748 -8.342 1.00 0.00 C ATOM 1096 O LEU A 73 -3.380 1.511 -8.910 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.252 0.299 -9.083 1.00 0.00 C ATOM 1098 CG LEU A 73 1.140 0.863 -9.368 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.017 -0.188 -10.029 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.044 2.106 -10.241 1.00 0.00 C ATOM 0 H LEU A 73 0.102 0.351 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.019 2.185 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.138 -0.696 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.774 0.178 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 73 1.598 1.144 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.004 0.232 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.113 -1.049 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.564 -0.501 -10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.044 2.494 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.566 1.850 -11.187 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.453 2.865 -9.729 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.964 -0.437 -7.863 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.335 -0.920 -7.982 1.00 0.00 C ATOM 1114 C ARG A 74 -4.557 -2.148 -7.104 1.00 0.00 C ATOM 1115 O ARG A 74 -3.658 -2.972 -6.932 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.655 -1.257 -9.439 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.131 -1.138 -9.782 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.557 0.315 -9.914 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.972 0.501 -9.603 1.00 0.00 N ATOM 1120 CZ ARG A 74 -8.956 0.180 -10.435 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -8.680 -0.341 -11.623 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -10.219 0.379 -10.080 1.00 0.00 N ATOM 0 H ARG A 74 -2.330 -1.080 -7.389 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.003 -0.128 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.085 -0.594 -10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.323 -2.274 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.332 -1.663 -10.716 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.726 -1.624 -9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.955 0.931 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.361 0.660 -10.929 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.218 0.899 -8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.710 -0.496 -11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.437 -0.587 -12.260 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.435 0.779 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.974 0.132 -10.720 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.760 -2.263 -6.550 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.101 -3.390 -5.690 1.00 0.00 C ATOM 1138 C VAL A 75 -7.327 -4.129 -6.213 1.00 0.00 C ATOM 1139 O VAL A 75 -8.170 -3.548 -6.896 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.369 -2.932 -4.244 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.227 -2.063 -3.739 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.694 -2.190 -4.158 1.00 0.00 C ATOM 0 H VAL A 75 -6.515 -1.589 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.244 -4.064 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.431 -3.814 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.434 -1.749 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.298 -2.633 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.130 -1.184 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.868 -1.874 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.664 -1.315 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.502 -2.849 -4.476 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.421 -5.414 -5.887 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.546 -6.233 -6.322 1.00 0.00 C ATOM 1154 C ALA A 76 -8.912 -7.269 -5.264 1.00 0.00 C ATOM 1155 O ALA A 76 -8.095 -7.613 -4.411 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.223 -6.915 -7.643 1.00 0.00 C ATOM 0 H ALA A 76 -6.731 -5.911 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.406 -5.579 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.072 -7.523 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.019 -6.160 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.347 -7.551 -7.519 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.145 -7.762 -5.327 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.618 -8.758 -4.373 1.00 0.00 C ATOM 1164 C GLU A 77 -10.467 -10.167 -4.938 1.00 0.00 C ATOM 1165 O GLU A 77 -11.189 -10.562 -5.853 1.00 0.00 O ATOM 1166 CB GLU A 77 -12.082 -8.496 -4.012 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.320 -7.130 -3.390 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.726 -6.616 -3.634 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.688 -7.366 -3.366 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.863 -5.462 -4.093 1.00 0.00 O ATOM 0 H GLU A 77 -10.834 -7.488 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.009 -8.679 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.691 -8.588 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.420 -9.266 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.139 -7.187 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.601 -6.419 -3.797 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.522 -10.921 -4.386 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.276 -12.287 -4.832 1.00 0.00 C ATOM 1179 C ALA A 78 -10.081 -13.287 -4.010 1.00 0.00 C ATOM 1180 O ALA A 78 -10.051 -13.262 -2.781 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.791 -12.609 -4.752 1.00 0.00 C ATOM 0 H ALA A 78 -8.914 -10.609 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.599 -12.367 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.622 -13.632 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.235 -11.921 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.451 -12.505 -3.722 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.681 -21.011 4.378 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.524 -20.141 5.191 1.00 0.00 C ATOM 1288 C ASP A 87 -11.908 -18.751 5.316 1.00 0.00 C ATOM 1289 O ASP A 87 -11.943 -18.138 6.383 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.730 -20.748 6.579 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.891 -20.115 7.321 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.995 -20.043 6.743 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.694 -19.691 8.479 1.00 0.00 O ATOM 0 HA ASP A 87 -13.491 -20.047 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.906 -21.819 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.819 -20.626 7.165 1.00 0.00 H new ATOM 1298 N THR A 88 -11.342 -18.259 4.218 1.00 0.00 N ATOM 1299 CA THR A 88 -10.717 -16.943 4.205 1.00 0.00 C ATOM 1300 C THR A 88 -10.817 -16.300 2.827 1.00 0.00 C ATOM 1301 O THR A 88 -11.423 -16.859 1.913 1.00 0.00 O ATOM 1302 CB THR A 88 -9.234 -17.021 4.616 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.594 -18.107 3.936 1.00 0.00 O ATOM 1304 CG2 THR A 88 -9.099 -17.208 6.120 1.00 0.00 C ATOM 0 H THR A 88 -11.304 -18.753 3.326 1.00 0.00 H new ATOM 0 HA THR A 88 -11.255 -16.331 4.928 1.00 0.00 H new ATOM 0 HB THR A 88 -8.752 -16.084 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.651 -18.149 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.043 -17.260 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.562 -16.366 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.595 -18.132 6.418 1.00 0.00 H new ATOM 1312 N SER A 89 -10.218 -15.122 2.683 1.00 0.00 N ATOM 1313 CA SER A 89 -10.243 -14.401 1.416 1.00 0.00 C ATOM 1314 C SER A 89 -8.995 -13.537 1.258 1.00 0.00 C ATOM 1315 O SER A 89 -8.728 -12.658 2.076 1.00 0.00 O ATOM 1316 CB SER A 89 -11.496 -13.528 1.326 1.00 0.00 C ATOM 1317 OG SER A 89 -12.663 -14.322 1.202 1.00 0.00 O ATOM 0 H SER A 89 -9.709 -14.647 3.429 1.00 0.00 H new ATOM 0 HA SER A 89 -10.261 -15.134 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.571 -12.902 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.416 -12.858 0.470 1.00 0.00 H new ATOM 0 HG SER A 89 -12.422 -15.270 1.266 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.234 -13.796 0.199 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.016 -13.042 -0.068 1.00 0.00 C ATOM 1325 C ALA A 90 -7.289 -11.874 -1.010 1.00 0.00 C ATOM 1326 O ALA A 90 -8.140 -11.962 -1.894 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.948 -13.955 -0.653 1.00 0.00 C ATOM 0 H ALA A 90 -8.440 -14.522 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.655 -12.636 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.043 -13.379 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.724 -14.753 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.310 -14.388 -1.586 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.561 -10.779 -0.813 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.726 -9.592 -1.644 1.00 0.00 C ATOM 1335 C PHE A 91 -5.454 -9.300 -2.434 1.00 0.00 C ATOM 1336 O PHE A 91 -4.359 -9.701 -2.040 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.090 -8.384 -0.778 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.019 -8.006 0.204 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.848 -8.727 1.375 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.182 -6.930 -0.044 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.863 -8.380 2.281 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.195 -6.578 0.858 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.035 -7.305 2.021 1.00 0.00 C ATOM 0 H PHE A 91 -5.852 -10.689 -0.086 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.535 -9.782 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.295 -7.532 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.010 -8.600 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.491 -9.569 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.302 -6.359 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.741 -8.949 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.550 -5.736 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.264 -7.034 2.726 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.608 -8.600 -3.553 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.473 -8.255 -4.401 1.00 0.00 C ATOM 1355 C PHE A 92 -3.904 -6.891 -4.020 1.00 0.00 C ATOM 1356 O PHE A 92 -4.570 -6.089 -3.364 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.891 -8.252 -5.873 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.896 -9.619 -6.497 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.709 -10.232 -6.864 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.088 -10.290 -6.716 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.711 -11.489 -7.439 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.097 -11.547 -7.290 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.906 -12.148 -7.651 1.00 0.00 C ATOM 0 H PHE A 92 -6.508 -8.261 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.698 -9.007 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.887 -7.818 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.214 -7.608 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.771 -9.722 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.021 -9.825 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.779 -11.955 -7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.033 -12.059 -7.456 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.910 -13.131 -8.098 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.668 -6.636 -4.435 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.007 -5.369 -4.138 1.00 0.00 C ATOM 1375 C LEU A 93 -0.795 -5.163 -5.040 1.00 0.00 C ATOM 1376 O LEU A 93 0.243 -5.797 -4.855 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.578 -5.328 -2.670 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.527 -3.943 -2.025 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.986 -4.035 -0.606 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.678 -2.996 -2.861 1.00 0.00 C ATOM 0 H LEU A 93 -2.103 -7.289 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.717 -4.563 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.263 -5.950 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.590 -5.782 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.541 -3.546 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.957 -3.040 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.634 -4.679 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.021 -4.453 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.653 -2.015 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.336 -3.388 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.108 -2.906 -3.858 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.935 -4.270 -6.015 1.00 0.00 N ATOM 1393 CA GLU A 94 0.150 -3.979 -6.945 1.00 0.00 C ATOM 1394 C GLU A 94 0.752 -2.604 -6.666 1.00 0.00 C ATOM 1395 O GLU A 94 0.032 -1.616 -6.519 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.354 -4.043 -8.388 1.00 0.00 C ATOM 1397 CG GLU A 94 0.751 -3.931 -9.425 1.00 0.00 C ATOM 1398 CD GLU A 94 0.215 -3.763 -10.833 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.855 -4.332 -11.133 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.866 -3.062 -11.635 1.00 0.00 O ATOM 0 H GLU A 94 -1.788 -3.736 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 94 0.926 -4.732 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.886 -4.983 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.074 -3.240 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.390 -3.082 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.376 -4.823 -9.382 1.00 0.00 H new ATOM 1407 N THR A 95 2.078 -2.549 -6.593 1.00 0.00 N ATOM 1408 CA THR A 95 2.778 -1.298 -6.330 1.00 0.00 C ATOM 1409 C THR A 95 3.957 -1.118 -7.279 1.00 0.00 C ATOM 1410 O THR A 95 4.496 -2.090 -7.808 1.00 0.00 O ATOM 1411 CB THR A 95 3.287 -1.233 -4.878 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.120 -2.364 -4.600 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.124 -1.201 -3.898 1.00 0.00 C ATOM 0 H THR A 95 2.689 -3.357 -6.712 1.00 0.00 H new ATOM 0 HA THR A 95 2.060 -0.494 -6.491 1.00 0.00 H new ATOM 0 HB THR A 95 3.867 -0.317 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.999 -3.039 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.508 -1.155 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.508 -0.323 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.522 -2.101 -4.019 1.00 0.00 H new ATOM 1421 N LYS A 96 4.356 0.132 -7.489 1.00 0.00 N ATOM 1422 CA LYS A 96 5.474 0.441 -8.373 1.00 0.00 C ATOM 1423 C LYS A 96 6.612 -0.556 -8.178 1.00 0.00 C ATOM 1424 O LYS A 96 7.240 -0.991 -9.143 1.00 0.00 O ATOM 1425 CB LYS A 96 5.977 1.863 -8.115 1.00 0.00 C ATOM 1426 CG LYS A 96 5.027 2.942 -8.604 1.00 0.00 C ATOM 1427 CD LYS A 96 5.766 4.229 -8.930 1.00 0.00 C ATOM 1428 CE LYS A 96 6.237 4.250 -10.376 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.347 5.638 -10.904 1.00 0.00 N ATOM 0 H LYS A 96 3.921 0.948 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 96 5.123 0.368 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.141 1.993 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.943 1.992 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.500 2.589 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.273 3.137 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.112 5.082 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.623 4.336 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.206 3.756 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.541 3.681 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.671 5.609 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.417 6.102 -10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.030 6.174 -10.332 1.00 0.00 H new ATOM 1443 N GLU A 97 6.872 -0.913 -6.924 1.00 0.00 N ATOM 1444 CA GLU A 97 7.935 -1.859 -6.605 1.00 0.00 C ATOM 1445 C GLU A 97 7.654 -3.224 -7.228 1.00 0.00 C ATOM 1446 O GLU A 97 8.422 -3.708 -8.060 1.00 0.00 O ATOM 1447 CB GLU A 97 8.084 -2.000 -5.089 1.00 0.00 C ATOM 1448 CG GLU A 97 8.890 -0.881 -4.450 1.00 0.00 C ATOM 1449 CD GLU A 97 9.543 -1.302 -3.148 1.00 0.00 C ATOM 1450 OE1 GLU A 97 9.032 -2.242 -2.504 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.566 -0.691 -2.773 1.00 0.00 O ATOM 0 H GLU A 97 6.362 -0.562 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 97 8.866 -1.474 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.093 -2.027 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.562 -2.954 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.659 -0.549 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.237 -0.028 -4.265 1.00 0.00 H new ATOM 1458 N ARG A 98 6.549 -3.838 -6.819 1.00 0.00 N ATOM 1459 CA ARG A 98 6.167 -5.147 -7.335 1.00 0.00 C ATOM 1460 C ARG A 98 4.781 -5.546 -6.835 1.00 0.00 C ATOM 1461 O ARG A 98 4.177 -4.844 -6.023 1.00 0.00 O ATOM 1462 CB ARG A 98 7.194 -6.202 -6.919 1.00 0.00 C ATOM 1463 CG ARG A 98 7.236 -6.454 -5.421 1.00 0.00 C ATOM 1464 CD ARG A 98 8.418 -7.329 -5.036 1.00 0.00 C ATOM 1465 NE ARG A 98 8.862 -7.079 -3.667 1.00 0.00 N ATOM 1466 CZ ARG A 98 9.845 -7.751 -3.079 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.484 -8.709 -3.736 1.00 0.00 N ATOM 1468 NH2 ARG A 98 10.191 -7.465 -1.830 1.00 0.00 N ATOM 0 H ARG A 98 5.902 -3.450 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 98 6.138 -5.086 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.968 -7.138 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.182 -5.887 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.299 -5.503 -4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.309 -6.933 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.142 -8.378 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.244 -7.146 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 98 8.391 -6.348 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.221 -8.932 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.239 -9.223 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.702 -6.729 -1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.946 -7.982 -1.379 1.00 0.00 H new ATOM 1482 N LEU A 99 4.283 -6.675 -7.326 1.00 0.00 N ATOM 1483 CA LEU A 99 2.968 -7.167 -6.930 1.00 0.00 C ATOM 1484 C LEU A 99 3.062 -8.015 -5.666 1.00 0.00 C ATOM 1485 O LEU A 99 3.982 -8.819 -5.512 1.00 0.00 O ATOM 1486 CB LEU A 99 2.347 -7.987 -8.062 1.00 0.00 C ATOM 1487 CG LEU A 99 1.013 -8.664 -7.746 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.068 -7.624 -7.494 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.606 -9.595 -8.879 1.00 0.00 C ATOM 0 H LEU A 99 4.770 -7.267 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 99 2.333 -6.306 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.205 -7.333 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.060 -8.756 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 99 1.135 -9.258 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.010 -8.125 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.219 -6.998 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.189 -7.003 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.346 -10.068 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.503 -9.023 -9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.369 -10.362 -9.012 1.00 0.00 H new ATOM 1501 N TYR A 100 2.104 -7.832 -4.764 1.00 0.00 N ATOM 1502 CA TYR A 100 2.079 -8.579 -3.513 1.00 0.00 C ATOM 1503 C TYR A 100 0.761 -9.332 -3.354 1.00 0.00 C ATOM 1504 O TYR A 100 -0.296 -8.849 -3.761 1.00 0.00 O ATOM 1505 CB TYR A 100 2.287 -7.636 -2.326 1.00 0.00 C ATOM 1506 CG TYR A 100 3.632 -6.946 -2.330 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.778 -7.612 -1.916 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.756 -5.626 -2.749 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.009 -6.985 -1.917 1.00 0.00 C ATOM 1510 CE2 TYR A 100 4.983 -4.991 -2.755 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.106 -5.674 -2.338 1.00 0.00 C ATOM 1512 OH TYR A 100 7.330 -5.046 -2.342 1.00 0.00 O ATOM 0 H TYR A 100 1.334 -7.172 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 100 2.891 -9.306 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.501 -6.881 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.181 -8.202 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.706 -8.638 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.878 -5.088 -3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.890 -7.517 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.062 -3.966 -3.084 1.00 0.00 H new ATOM 0 HH TYR A 100 7.225 -4.127 -2.667 1.00 0.00 H new ATOM 1522 N LEU A 101 0.833 -10.517 -2.759 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.354 -11.338 -2.544 1.00 0.00 C ATOM 1524 C LEU A 101 -0.533 -11.660 -1.064 1.00 0.00 C ATOM 1525 O LEU A 101 0.038 -12.625 -0.555 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.255 -12.634 -3.352 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.449 -13.582 -3.248 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.730 -12.875 -3.663 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.222 -14.821 -4.102 1.00 0.00 C ATOM 0 H LEU A 101 1.700 -10.931 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.223 -10.772 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.113 -12.375 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.638 -13.171 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.551 -13.894 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.569 -13.566 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.901 -12.019 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.639 -12.533 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.082 -15.485 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.094 -14.526 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.327 -15.340 -3.759 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.331 -10.848 -0.380 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.587 -11.048 1.042 1.00 0.00 C ATOM 1543 C LEU A 102 -2.919 -11.760 1.261 1.00 0.00 C ATOM 1544 O LEU A 102 -3.770 -11.790 0.373 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.589 -9.705 1.774 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.253 -8.962 1.816 1.00 0.00 C ATOM 1547 CD1 LEU A 102 -0.117 -8.040 0.613 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.121 -8.174 3.111 1.00 0.00 C ATOM 0 H LEU A 102 -1.812 -10.045 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.790 -11.674 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.327 -9.057 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.921 -9.873 2.799 1.00 0.00 H new ATOM 0 HG LEU A 102 0.551 -9.697 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.840 -7.520 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.166 -8.628 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.927 -7.311 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.836 -7.652 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.931 -7.448 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.173 -8.857 3.959 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.091 -12.330 2.449 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.320 -13.038 2.785 1.00 0.00 C ATOM 1562 C ALA A 103 -5.006 -12.404 3.990 1.00 0.00 C ATOM 1563 O ALA A 103 -4.352 -12.029 4.963 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.026 -14.507 3.055 1.00 0.00 C ATOM 0 H ALA A 103 -2.395 -12.315 3.195 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.997 -12.965 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.953 -15.024 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.586 -14.959 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.328 -14.591 3.888 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.328 -12.287 3.918 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.103 -11.699 5.004 1.00 0.00 C ATOM 1572 C ALA A 104 -8.367 -12.508 5.277 1.00 0.00 C ATOM 1573 O ALA A 104 -8.854 -13.250 4.424 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.458 -10.256 4.678 1.00 0.00 C ATOM 0 H ALA A 104 -6.885 -12.592 3.119 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.490 -11.716 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.037 -9.830 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.544 -9.679 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.048 -10.225 3.762 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.911 -12.364 6.494 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.125 -13.074 6.907 1.00 0.00 C ATOM 1582 C PRO A 105 -11.368 -12.566 6.184 1.00 0.00 C ATOM 1583 O PRO A 105 -11.793 -11.429 6.384 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.218 -12.774 8.406 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.488 -11.488 8.581 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.383 -11.496 7.561 1.00 0.00 C ATOM 0 HA PRO A 105 -10.075 -14.137 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.256 -12.687 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.766 -13.570 8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.153 -10.638 8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.086 -11.402 9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.168 -10.493 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.455 -11.889 7.977 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.946 -13.418 5.343 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.142 -13.056 4.592 1.00 0.00 C ATOM 1596 C ALA A 106 -14.078 -12.193 5.432 1.00 0.00 C ATOM 1597 O ALA A 106 -14.833 -11.381 4.900 1.00 0.00 O ATOM 1598 CB ALA A 106 -13.863 -14.307 4.112 1.00 0.00 C ATOM 0 H ALA A 106 -11.606 -14.363 5.165 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.833 -12.473 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.754 -14.021 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.200 -14.885 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.152 -14.912 4.971 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.023 -12.377 6.748 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.865 -11.615 7.661 1.00 0.00 C ATOM 1606 C ALA A 107 -14.603 -10.118 7.530 1.00 0.00 C ATOM 1607 O ALA A 107 -15.536 -9.323 7.426 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.635 -12.069 9.095 1.00 0.00 C ATOM 0 H ALA A 107 -13.404 -13.047 7.205 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.906 -11.800 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.271 -11.491 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.880 -13.127 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.590 -11.914 9.362 1.00 0.00 H new ATOM 1614 N GLU A 108 -13.328 -9.742 7.536 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.945 -8.340 7.418 1.00 0.00 C ATOM 1616 C GLU A 108 -12.661 -7.973 5.965 1.00 0.00 C ATOM 1617 O GLU A 108 -12.851 -6.829 5.554 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.713 -8.052 8.279 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.901 -8.397 9.746 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.604 -8.797 10.422 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -9.760 -7.908 10.662 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.433 -10.000 10.713 1.00 0.00 O ATOM 0 H GLU A 108 -12.543 -10.388 7.621 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.777 -7.731 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.867 -8.616 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.459 -6.996 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.327 -7.539 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.619 -9.212 9.835 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.203 -8.953 5.192 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.891 -8.734 3.785 1.00 0.00 C ATOM 1631 C ARG A 109 -12.852 -7.723 3.166 1.00 0.00 C ATOM 1632 O ARG A 109 -12.429 -6.724 2.586 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.956 -10.054 3.014 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.326 -9.985 1.633 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.328 -9.523 0.586 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.468 -10.429 0.482 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.310 -10.435 -0.545 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.141 -9.588 -1.550 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.324 -11.291 -0.567 1.00 0.00 N ATOM 0 H ARG A 109 -12.040 -9.906 5.517 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.879 -8.334 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.455 -10.829 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.999 -10.355 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.477 -9.301 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.938 -10.966 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.681 -8.523 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.833 -9.451 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.626 -11.094 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.363 -8.929 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.789 -9.595 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.457 -11.944 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.971 -11.295 -1.356 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.148 -7.992 3.293 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.148 -7.097 2.740 1.00 0.00 C ATOM 1655 C GLY A 110 -14.872 -5.644 3.070 1.00 0.00 C ATOM 1656 O GLY A 110 -14.978 -4.773 2.206 1.00 0.00 O ATOM 0 H GLY A 110 -14.523 -8.813 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.182 -7.220 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.130 -7.373 3.124 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.518 -5.380 4.323 1.00 0.00 N ATOM 1661 CA ASP A 111 -14.226 -4.021 4.766 1.00 0.00 C ATOM 1662 C ASP A 111 -12.811 -3.612 4.367 1.00 0.00 C ATOM 1663 O ASP A 111 -12.612 -2.589 3.712 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.395 -3.908 6.281 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.824 -3.604 6.684 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.541 -2.963 5.887 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -16.227 -4.007 7.795 1.00 0.00 O ATOM 0 H ASP A 111 -14.426 -6.089 5.050 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.931 -3.347 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.079 -4.840 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.739 -3.124 6.659 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.833 -4.417 4.768 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.437 -4.138 4.453 1.00 0.00 C ATOM 1674 C TRP A 112 -10.307 -3.492 3.078 1.00 0.00 C ATOM 1675 O TRP A 112 -10.049 -2.294 2.966 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.614 -5.426 4.505 1.00 0.00 C ATOM 1677 CG TRP A 112 -9.043 -5.711 5.861 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -9.344 -6.768 6.672 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -8.073 -4.927 6.566 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.621 -6.689 7.837 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.833 -5.569 7.796 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.384 -3.747 6.276 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.934 -5.068 8.734 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.492 -3.251 7.207 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.273 -3.910 8.424 1.00 0.00 C ATOM 0 H TRP A 112 -11.981 -5.267 5.311 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.055 -3.441 5.198 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.242 -6.263 4.200 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.800 -5.358 3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -10.048 -7.551 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.664 -7.356 8.608 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.546 -3.232 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.764 -5.575 9.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.954 -2.339 6.993 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.569 -3.496 9.131 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.488 -4.294 2.033 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.393 -3.800 0.665 1.00 0.00 C ATOM 1698 C VAL A 113 -11.193 -2.514 0.487 1.00 0.00 C ATOM 1699 O VAL A 113 -10.736 -1.572 -0.159 1.00 0.00 O ATOM 1700 CB VAL A 113 -10.895 -4.847 -0.347 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -10.805 -4.306 -1.765 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.105 -6.140 -0.210 1.00 0.00 C ATOM 0 H VAL A 113 -10.701 -5.289 2.108 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.339 -3.598 0.475 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.942 -5.062 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.164 -5.060 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.418 -3.409 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.768 -4.061 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.472 -6.869 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.050 -5.943 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.226 -6.535 0.798 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.389 -2.483 1.066 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.253 -1.313 0.972 1.00 0.00 C ATOM 1714 C GLN A 114 -12.569 -0.083 1.560 1.00 0.00 C ATOM 1715 O GLN A 114 -12.733 1.029 1.059 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.576 -1.570 1.695 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.659 -0.556 1.361 1.00 0.00 C ATOM 1718 CD GLN A 114 -17.057 -1.106 1.566 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.470 -2.051 0.893 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.794 -0.517 2.500 1.00 0.00 N ATOM 0 H GLN A 114 -12.781 -3.255 1.605 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.454 -1.125 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.933 -2.568 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.400 -1.561 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.526 0.330 1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.546 -0.238 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.412 0.263 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.742 -0.845 2.683 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.803 -0.290 2.626 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.094 0.801 3.281 1.00 0.00 C ATOM 1731 C ALA A 115 -9.861 1.212 2.483 1.00 0.00 C ATOM 1732 O ALA A 115 -9.744 2.358 2.048 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.700 0.402 4.695 1.00 0.00 C ATOM 0 H ALA A 115 -11.658 -1.204 3.054 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.765 1.658 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.171 1.227 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.596 0.165 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.050 -0.473 4.659 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.943 0.269 2.295 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.719 0.534 1.549 1.00 0.00 C ATOM 1741 C ILE A 116 -8.022 1.217 0.220 1.00 0.00 C ATOM 1742 O ILE A 116 -7.398 2.219 -0.131 1.00 0.00 O ATOM 1743 CB ILE A 116 -6.933 -0.763 1.279 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.557 -1.441 2.598 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.688 -0.466 0.457 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.019 -2.844 2.424 1.00 0.00 C ATOM 0 H ILE A 116 -9.024 -0.684 2.649 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.111 1.197 2.165 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.567 -1.443 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.809 -0.834 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.435 -1.475 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.143 -1.392 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.978 -0.022 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.049 0.229 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.773 -3.263 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -6.773 -3.466 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.122 -2.816 1.805 1.00 0.00 H new ATOM 1758 N CYS A 117 -8.985 0.670 -0.514 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.373 1.228 -1.805 1.00 0.00 C ATOM 1760 C CYS A 117 -9.815 2.680 -1.659 1.00 0.00 C ATOM 1761 O CYS A 117 -9.504 3.523 -2.502 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.499 0.399 -2.424 1.00 0.00 C ATOM 1763 SG CYS A 117 -12.158 0.930 -1.941 1.00 0.00 S ATOM 0 H CYS A 117 -9.511 -0.159 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.504 1.196 -2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.416 0.446 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -10.366 -0.645 -2.139 1.00 0.00 H new ATOM 0 HG CYS A 117 -12.194 1.126 -0.656 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.543 2.967 -0.586 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.030 4.318 -0.330 1.00 0.00 C ATOM 1771 C LEU A 118 -9.870 5.280 -0.095 1.00 0.00 C ATOM 1772 O LEU A 118 -9.691 6.247 -0.837 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.965 4.323 0.881 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.421 3.945 0.607 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.068 3.371 1.857 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.200 5.153 0.107 1.00 0.00 C ATOM 0 H LEU A 118 -10.809 2.282 0.121 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.582 4.651 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.566 3.634 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.946 5.318 1.325 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.438 3.180 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.104 3.108 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.525 2.480 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.040 4.113 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.234 4.866 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.174 5.940 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.750 5.520 -0.816 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.082 5.007 0.940 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.937 5.847 1.271 1.00 0.00 C ATOM 1790 C LEU A 119 -6.877 5.779 0.177 1.00 0.00 C ATOM 1791 O LEU A 119 -6.530 6.793 -0.429 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.333 5.415 2.609 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.917 6.081 3.855 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.596 5.264 5.097 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.390 7.501 3.998 1.00 0.00 C ATOM 0 H LEU A 119 -9.215 4.211 1.564 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.284 6.877 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.454 4.336 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.262 5.615 2.583 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.000 6.127 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.020 5.753 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.023 4.266 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.515 5.186 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.817 7.959 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.304 7.479 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.672 8.084 3.121 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.368 4.578 -0.073 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.351 4.377 -1.098 1.00 0.00 C ATOM 1809 C ALA A 120 -5.641 5.223 -2.333 1.00 0.00 C ATOM 1810 O ALA A 120 -4.785 5.976 -2.797 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.263 2.905 -1.473 1.00 0.00 C ATOM 0 H ALA A 120 -6.643 3.729 0.420 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.392 4.695 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.500 2.770 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.000 2.320 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.226 2.569 -1.857 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.854 5.094 -2.861 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.256 5.846 -4.044 1.00 0.00 C ATOM 1819 C PHE A 121 -8.295 6.905 -3.687 1.00 0.00 C ATOM 1820 O PHE A 121 -9.334 7.015 -4.338 1.00 0.00 O ATOM 1821 CB PHE A 121 -7.819 4.901 -5.108 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.014 3.645 -5.281 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.006 2.670 -4.297 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.263 3.440 -6.428 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.266 1.513 -4.453 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -5.522 2.285 -6.589 1.00 0.00 C ATOM 1827 CZ PHE A 121 -5.522 1.321 -5.600 1.00 0.00 C ATOM 0 H PHE A 121 -7.575 4.476 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.374 6.347 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.841 4.634 -4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.866 5.427 -6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.585 2.816 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.257 4.191 -7.204 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.270 0.760 -3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.943 2.136 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.941 0.419 -5.724 1.00 0.00 H new