USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 360 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -111:sc= -0.583 (180deg=-3.31!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -47:sc= 0.391 USER MOD Single : A 27 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A 29 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-5.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -7! C(o=-7!,f=-7.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.699 10.740 13.100 1.00 0.00 N ATOM 2 CA GLY A 1 -28.078 11.761 12.211 1.00 0.00 C ATOM 3 C GLY A 1 -27.184 11.140 11.158 1.00 0.00 C ATOM 4 O GLY A 1 -27.388 11.345 9.961 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.301 11.213 13.804 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.277 10.089 12.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.953 10.204 13.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.862 12.340 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.496 12.458 12.814 1.00 0.00 H new ATOM 10 N LYS A 2 -26.193 10.376 11.604 1.00 0.00 N ATOM 11 CA LYS A 2 -25.265 9.720 10.691 1.00 0.00 C ATOM 12 C LYS A 2 -24.367 8.743 11.442 1.00 0.00 C ATOM 13 O LYS A 2 -23.732 9.104 12.432 1.00 0.00 O ATOM 14 CB LYS A 2 -24.413 10.761 9.962 1.00 0.00 C ATOM 15 CG LYS A 2 -24.995 11.193 8.626 1.00 0.00 C ATOM 16 CD LYS A 2 -25.426 12.651 8.650 1.00 0.00 C ATOM 17 CE LYS A 2 -26.577 12.906 7.690 1.00 0.00 C ATOM 18 NZ LYS A 2 -26.096 13.414 6.376 1.00 0.00 N ATOM 0 H LYS A 2 -26.012 10.196 12.592 1.00 0.00 H new ATOM 0 HA LYS A 2 -25.846 9.161 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -24.299 11.637 10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -23.415 10.353 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -24.254 11.045 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -25.850 10.564 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -25.726 12.927 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -24.581 13.286 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -27.137 11.983 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -27.264 13.628 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -26.909 13.576 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -25.583 14.308 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -25.460 12.713 5.945 1.00 0.00 H new ATOM 32 N ILE A 3 -24.320 7.502 10.964 1.00 0.00 N ATOM 33 CA ILE A 3 -23.505 6.473 11.589 1.00 0.00 C ATOM 34 C ILE A 3 -22.601 5.788 10.567 1.00 0.00 C ATOM 35 O ILE A 3 -22.758 4.599 10.287 1.00 0.00 O ATOM 36 CB ILE A 3 -24.388 5.409 12.261 1.00 0.00 C ATOM 37 CG1 ILE A 3 -25.707 5.247 11.498 1.00 0.00 C ATOM 38 CG2 ILE A 3 -24.645 5.770 13.716 1.00 0.00 C ATOM 39 CD1 ILE A 3 -26.806 6.173 11.977 1.00 0.00 C ATOM 0 H ILE A 3 -24.839 7.188 10.144 1.00 0.00 H new ATOM 0 HA ILE A 3 -22.888 6.965 12.341 1.00 0.00 H new ATOM 0 HB ILE A 3 -23.861 4.455 12.236 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -25.528 5.428 10.438 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -26.047 4.216 11.592 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -25.272 5.006 14.175 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -23.696 5.830 14.249 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -25.152 6.734 13.768 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -27.708 6.001 11.390 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -27.014 5.977 13.029 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -26.487 7.208 11.857 1.00 0.00 H new ATOM 51 N PRO A 4 -21.639 6.529 9.992 1.00 0.00 N ATOM 52 CA PRO A 4 -20.709 5.993 8.995 1.00 0.00 C ATOM 53 C PRO A 4 -19.685 5.049 9.606 1.00 0.00 C ATOM 54 O PRO A 4 -18.493 5.353 9.646 1.00 0.00 O ATOM 55 CB PRO A 4 -20.009 7.238 8.427 1.00 0.00 C ATOM 56 CG PRO A 4 -20.755 8.411 8.977 1.00 0.00 C ATOM 57 CD PRO A 4 -21.379 7.946 10.260 1.00 0.00 C ATOM 0 HA PRO A 4 -21.232 5.405 8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.961 7.267 8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.031 7.236 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.084 9.252 9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.516 8.752 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.709 8.082 11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.296 8.491 10.486 1.00 0.00 H new ATOM 65 N VAL A 5 -20.152 3.899 10.073 1.00 0.00 N ATOM 66 CA VAL A 5 -19.270 2.910 10.670 1.00 0.00 C ATOM 67 C VAL A 5 -18.336 2.336 9.621 1.00 0.00 C ATOM 68 O VAL A 5 -17.136 2.191 9.850 1.00 0.00 O ATOM 69 CB VAL A 5 -20.068 1.769 11.333 1.00 0.00 C ATOM 70 CG1 VAL A 5 -20.462 0.709 10.310 1.00 0.00 C ATOM 71 CG2 VAL A 5 -19.273 1.152 12.473 1.00 0.00 C ATOM 0 H VAL A 5 -21.136 3.630 10.049 1.00 0.00 H new ATOM 0 HA VAL A 5 -18.686 3.412 11.441 1.00 0.00 H new ATOM 0 HB VAL A 5 -20.984 2.192 11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -21.023 -0.083 10.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -21.081 1.163 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -19.564 0.289 9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -19.853 0.349 12.928 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -18.336 0.750 12.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -19.059 1.915 13.222 1.00 0.00 H new ATOM 81 N LYS A 6 -18.898 2.028 8.463 1.00 0.00 N ATOM 82 CA LYS A 6 -18.113 1.484 7.367 1.00 0.00 C ATOM 83 C LYS A 6 -17.089 2.511 6.906 1.00 0.00 C ATOM 84 O LYS A 6 -16.133 2.182 6.203 1.00 0.00 O ATOM 85 CB LYS A 6 -19.017 1.077 6.204 1.00 0.00 C ATOM 86 CG LYS A 6 -19.800 -0.198 6.465 1.00 0.00 C ATOM 87 CD LYS A 6 -19.415 -1.297 5.489 1.00 0.00 C ATOM 88 CE LYS A 6 -19.600 -2.677 6.101 1.00 0.00 C ATOM 89 NZ LYS A 6 -18.661 -3.674 5.516 1.00 0.00 N ATOM 0 H LYS A 6 -19.890 2.145 8.258 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.592 0.594 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.716 1.887 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.408 0.944 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.618 -0.536 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.868 0.006 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.022 -1.213 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.376 -1.169 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.444 -2.620 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.626 -3.009 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.819 -4.601 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.826 -3.747 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.681 -3.371 5.688 1.00 0.00 H new ATOM 103 N ALA A 7 -17.288 3.756 7.329 1.00 0.00 N ATOM 104 CA ALA A 7 -16.373 4.829 6.979 1.00 0.00 C ATOM 105 C ALA A 7 -15.226 4.861 7.975 1.00 0.00 C ATOM 106 O ALA A 7 -14.071 5.079 7.610 1.00 0.00 O ATOM 107 CB ALA A 7 -17.099 6.165 6.948 1.00 0.00 C ATOM 0 H ALA A 7 -18.074 4.043 7.913 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.972 4.646 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.396 6.955 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.898 6.128 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -17.524 6.371 7.930 1.00 0.00 H new ATOM 113 N ILE A 8 -15.560 4.614 9.236 1.00 0.00 N ATOM 114 CA ILE A 8 -14.569 4.586 10.297 1.00 0.00 C ATOM 115 C ILE A 8 -13.586 3.442 10.057 1.00 0.00 C ATOM 116 O ILE A 8 -12.379 3.595 10.241 1.00 0.00 O ATOM 117 CB ILE A 8 -15.251 4.450 11.687 1.00 0.00 C ATOM 118 CG1 ILE A 8 -15.310 5.816 12.375 1.00 0.00 C ATOM 119 CG2 ILE A 8 -14.542 3.437 12.580 1.00 0.00 C ATOM 120 CD1 ILE A 8 -16.697 6.421 12.411 1.00 0.00 C ATOM 0 H ILE A 8 -16.514 4.430 9.546 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.019 5.527 10.290 1.00 0.00 H new ATOM 0 HB ILE A 8 -16.263 4.081 11.522 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.941 5.715 13.396 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.638 6.502 11.859 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.055 3.377 13.540 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.554 2.458 12.100 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.510 3.751 12.739 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.659 7.388 12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.062 6.555 11.393 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.370 5.756 12.953 1.00 0.00 H new ATOM 132 N LYS A 9 -14.116 2.302 9.628 1.00 0.00 N ATOM 133 CA LYS A 9 -13.290 1.136 9.343 1.00 0.00 C ATOM 134 C LYS A 9 -12.343 1.436 8.190 1.00 0.00 C ATOM 135 O LYS A 9 -11.132 1.223 8.290 1.00 0.00 O ATOM 136 CB LYS A 9 -14.168 -0.071 9.006 1.00 0.00 C ATOM 137 CG LYS A 9 -13.787 -1.331 9.767 1.00 0.00 C ATOM 138 CD LYS A 9 -13.635 -2.522 8.835 1.00 0.00 C ATOM 139 CE LYS A 9 -14.986 -3.040 8.369 1.00 0.00 C ATOM 140 NZ LYS A 9 -14.959 -4.507 8.111 1.00 0.00 N ATOM 0 H LYS A 9 -15.114 2.161 9.470 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.702 0.900 10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.208 0.174 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.104 -0.269 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.852 -1.165 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.548 -1.549 10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.036 -2.235 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.095 -3.319 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.740 -2.818 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.282 -2.517 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.899 -4.821 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.257 -4.717 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.702 -5.009 8.985 1.00 0.00 H new ATOM 154 N LYS A 10 -12.900 1.948 7.099 1.00 0.00 N ATOM 155 CA LYS A 10 -12.105 2.295 5.930 1.00 0.00 C ATOM 156 C LYS A 10 -11.057 3.334 6.299 1.00 0.00 C ATOM 157 O LYS A 10 -9.958 3.346 5.746 1.00 0.00 O ATOM 158 CB LYS A 10 -12.998 2.828 4.809 1.00 0.00 C ATOM 159 CG LYS A 10 -12.366 2.732 3.431 1.00 0.00 C ATOM 160 CD LYS A 10 -12.745 1.435 2.736 1.00 0.00 C ATOM 161 CE LYS A 10 -11.571 0.473 2.668 1.00 0.00 C ATOM 162 NZ LYS A 10 -11.490 -0.390 3.878 1.00 0.00 N ATOM 0 H LYS A 10 -13.899 2.132 7.001 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.604 1.394 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.936 2.274 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.243 3.870 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.685 3.579 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.282 2.795 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.571 0.964 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.098 1.651 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.666 -0.153 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.645 1.038 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.653 -0.127 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.346 -0.260 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.415 -1.386 3.589 1.00 0.00 H new ATOM 176 N ALA A 11 -11.401 4.202 7.247 1.00 0.00 N ATOM 177 CA ALA A 11 -10.482 5.235 7.696 1.00 0.00 C ATOM 178 C ALA A 11 -9.341 4.615 8.482 1.00 0.00 C ATOM 179 O ALA A 11 -8.170 4.897 8.226 1.00 0.00 O ATOM 180 CB ALA A 11 -11.212 6.276 8.531 1.00 0.00 C ATOM 0 H ALA A 11 -12.307 4.208 7.716 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.066 5.736 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.507 7.040 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.996 6.738 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.657 5.796 9.403 1.00 0.00 H new ATOM 186 N GLY A 12 -9.685 3.745 9.424 1.00 0.00 N ATOM 187 CA GLY A 12 -8.668 3.078 10.205 1.00 0.00 C ATOM 188 C GLY A 12 -7.718 2.314 9.310 1.00 0.00 C ATOM 189 O GLY A 12 -6.611 1.956 9.719 1.00 0.00 O ATOM 0 H GLY A 12 -10.645 3.492 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.113 3.811 10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.137 2.394 10.913 1.00 0.00 H new ATOM 193 N ALA A 13 -8.154 2.074 8.073 1.00 0.00 N ATOM 194 CA ALA A 13 -7.337 1.359 7.101 1.00 0.00 C ATOM 195 C ALA A 13 -6.306 2.292 6.481 1.00 0.00 C ATOM 196 O ALA A 13 -5.101 2.046 6.563 1.00 0.00 O ATOM 197 CB ALA A 13 -8.212 0.741 6.020 1.00 0.00 C ATOM 0 H ALA A 13 -9.067 2.365 7.724 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.810 0.557 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.585 0.211 5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.913 0.042 6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.766 1.527 5.506 1.00 0.00 H new ATOM 203 N ALA A 14 -6.785 3.371 5.872 1.00 0.00 N ATOM 204 CA ALA A 14 -5.902 4.346 5.252 1.00 0.00 C ATOM 205 C ALA A 14 -4.883 4.858 6.260 1.00 0.00 C ATOM 206 O ALA A 14 -3.725 5.100 5.920 1.00 0.00 O ATOM 207 CB ALA A 14 -6.707 5.500 4.670 1.00 0.00 C ATOM 0 H ALA A 14 -7.778 3.590 5.796 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.365 3.858 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.030 6.220 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.397 5.119 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.270 5.988 5.465 1.00 0.00 H new ATOM 213 N ILE A 15 -5.319 5.009 7.507 1.00 0.00 N ATOM 214 CA ILE A 15 -4.438 5.477 8.566 1.00 0.00 C ATOM 215 C ILE A 15 -3.289 4.501 8.761 1.00 0.00 C ATOM 216 O ILE A 15 -2.123 4.894 8.785 1.00 0.00 O ATOM 217 CB ILE A 15 -5.188 5.647 9.900 1.00 0.00 C ATOM 218 CG1 ILE A 15 -6.241 6.750 9.781 1.00 0.00 C ATOM 219 CG2 ILE A 15 -4.208 5.962 11.021 1.00 0.00 C ATOM 220 CD1 ILE A 15 -7.126 6.872 11.003 1.00 0.00 C ATOM 0 H ILE A 15 -6.275 4.814 7.806 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.054 6.451 8.262 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.694 4.711 10.138 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.740 7.703 9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.864 6.554 8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.752 6.080 11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.491 5.146 11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.677 6.886 10.791 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.849 7.673 10.850 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.654 5.932 11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.513 7.099 11.875 1.00 0.00 H new ATOM 232 N GLY A 16 -3.627 3.224 8.883 1.00 0.00 N ATOM 233 CA GLY A 16 -2.608 2.208 9.056 1.00 0.00 C ATOM 234 C GLY A 16 -1.488 2.365 8.049 1.00 0.00 C ATOM 235 O GLY A 16 -0.313 2.210 8.384 1.00 0.00 O ATOM 0 H GLY A 16 -4.585 2.875 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.201 2.268 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.057 1.220 8.951 1.00 0.00 H new ATOM 239 N LYS A 17 -1.855 2.688 6.813 1.00 0.00 N ATOM 240 CA LYS A 17 -0.875 2.881 5.753 1.00 0.00 C ATOM 241 C LYS A 17 -0.107 4.176 5.975 1.00 0.00 C ATOM 242 O LYS A 17 1.117 4.217 5.849 1.00 0.00 O ATOM 243 CB LYS A 17 -1.563 2.909 4.388 1.00 0.00 C ATOM 244 CG LYS A 17 -2.491 1.730 4.151 1.00 0.00 C ATOM 245 CD LYS A 17 -3.759 2.158 3.432 1.00 0.00 C ATOM 246 CE LYS A 17 -4.060 1.251 2.250 1.00 0.00 C ATOM 247 NZ LYS A 17 -3.929 1.966 0.952 1.00 0.00 N ATOM 0 H LYS A 17 -2.824 2.821 6.522 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.174 2.046 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.133 3.834 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.803 2.925 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.975 0.972 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.749 1.271 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.597 2.141 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.653 3.186 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.381 0.399 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.071 0.855 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.143 1.312 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.595 2.764 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.957 2.322 0.849 1.00 0.00 H new ATOM 261 N GLY A 18 -0.836 5.232 6.316 1.00 0.00 N ATOM 262 CA GLY A 18 -0.208 6.514 6.564 1.00 0.00 C ATOM 263 C GLY A 18 0.899 6.409 7.593 1.00 0.00 C ATOM 264 O GLY A 18 1.980 6.968 7.411 1.00 0.00 O ATOM 0 H GLY A 18 -1.850 5.223 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.198 6.906 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.958 7.226 6.909 1.00 0.00 H new ATOM 268 N LEU A 19 0.632 5.678 8.671 1.00 0.00 N ATOM 269 CA LEU A 19 1.616 5.489 9.726 1.00 0.00 C ATOM 270 C LEU A 19 2.877 4.850 9.159 1.00 0.00 C ATOM 271 O LEU A 19 3.985 5.353 9.351 1.00 0.00 O ATOM 272 CB LEU A 19 1.044 4.615 10.846 1.00 0.00 C ATOM 273 CG LEU A 19 -0.157 5.208 11.587 1.00 0.00 C ATOM 274 CD1 LEU A 19 -1.117 4.109 12.014 1.00 0.00 C ATOM 275 CD2 LEU A 19 0.306 6.010 12.793 1.00 0.00 C ATOM 0 H LEU A 19 -0.258 5.208 8.835 1.00 0.00 H new ATOM 0 HA LEU A 19 1.868 6.465 10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.751 3.655 10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.835 4.416 11.569 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.684 5.879 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.964 4.550 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.474 3.575 11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.602 3.413 12.676 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.560 6.425 13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.856 5.360 13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.955 6.822 12.463 1.00 0.00 H new ATOM 287 N ARG A 20 2.694 3.745 8.447 1.00 0.00 N ATOM 288 CA ARG A 20 3.811 3.038 7.832 1.00 0.00 C ATOM 289 C ARG A 20 4.545 3.957 6.866 1.00 0.00 C ATOM 290 O ARG A 20 5.713 3.737 6.547 1.00 0.00 O ATOM 291 CB ARG A 20 3.317 1.792 7.094 1.00 0.00 C ATOM 292 CG ARG A 20 3.763 0.486 7.731 1.00 0.00 C ATOM 293 CD ARG A 20 3.472 -0.700 6.827 1.00 0.00 C ATOM 294 NE ARG A 20 3.586 -1.971 7.536 1.00 0.00 N ATOM 295 CZ ARG A 20 3.075 -3.113 7.087 1.00 0.00 C ATOM 296 NH1 ARG A 20 2.409 -3.139 5.941 1.00 0.00 N ATOM 297 NH2 ARG A 20 3.225 -4.230 7.787 1.00 0.00 N ATOM 0 H ARG A 20 1.782 3.319 8.281 1.00 0.00 H new ATOM 0 HA ARG A 20 4.498 2.727 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.228 1.813 7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.675 1.825 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.831 0.530 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.253 0.352 8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.467 -0.604 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.164 -0.692 5.985 1.00 0.00 H new ATOM 0 HE ARG A 20 4.085 -1.983 8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.288 -2.282 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.018 -4.016 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.733 -4.213 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.832 -5.105 7.441 1.00 0.00 H new ATOM 311 N ALA A 21 3.847 4.991 6.409 1.00 0.00 N ATOM 312 CA ALA A 21 4.423 5.955 5.482 1.00 0.00 C ATOM 313 C ALA A 21 5.527 6.761 6.153 1.00 0.00 C ATOM 314 O ALA A 21 6.612 6.928 5.595 1.00 0.00 O ATOM 315 CB ALA A 21 3.341 6.879 4.944 1.00 0.00 C ATOM 0 H ALA A 21 2.879 5.182 6.667 1.00 0.00 H new ATOM 0 HA ALA A 21 4.863 5.408 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.785 7.595 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.586 6.290 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.876 7.415 5.771 1.00 0.00 H new ATOM 321 N ILE A 22 5.249 7.255 7.357 1.00 0.00 N ATOM 322 CA ILE A 22 6.225 8.040 8.101 1.00 0.00 C ATOM 323 C ILE A 22 7.327 7.151 8.661 1.00 0.00 C ATOM 324 O ILE A 22 8.501 7.522 8.659 1.00 0.00 O ATOM 325 CB ILE A 22 5.570 8.819 9.260 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.138 9.217 8.898 1.00 0.00 C ATOM 327 CG2 ILE A 22 6.397 10.050 9.599 1.00 0.00 C ATOM 328 CD1 ILE A 22 4.029 9.929 7.568 1.00 0.00 C ATOM 0 H ILE A 22 4.358 7.125 7.836 1.00 0.00 H new ATOM 0 HA ILE A 22 6.654 8.754 7.398 1.00 0.00 H new ATOM 0 HB ILE A 22 5.533 8.172 10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.515 8.323 8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.740 9.863 9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.924 10.591 10.418 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.400 9.744 9.897 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.460 10.698 8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.986 10.182 7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.625 10.841 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.397 9.278 6.775 1.00 0.00 H new ATOM 340 N ASN A 23 6.943 5.973 9.138 1.00 0.00 N ATOM 341 CA ASN A 23 7.900 5.029 9.696 1.00 0.00 C ATOM 342 C ASN A 23 8.938 4.638 8.652 1.00 0.00 C ATOM 343 O ASN A 23 10.139 4.797 8.865 1.00 0.00 O ATOM 344 CB ASN A 23 7.181 3.780 10.210 1.00 0.00 C ATOM 345 CG ASN A 23 7.644 3.374 11.595 1.00 0.00 C ATOM 346 OD1 ASN A 23 6.991 3.678 12.594 1.00 0.00 O ATOM 347 ND2 ASN A 23 8.777 2.684 11.663 1.00 0.00 N ATOM 0 H ASN A 23 5.976 5.650 9.149 1.00 0.00 H new ATOM 0 HA ASN A 23 8.408 5.512 10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.107 3.965 10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.351 2.956 9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.138 2.384 12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.286 2.454 10.810 1.00 0.00 H new ATOM 354 N ILE A 24 8.465 4.127 7.521 1.00 0.00 N ATOM 355 CA ILE A 24 9.352 3.715 6.443 1.00 0.00 C ATOM 356 C ILE A 24 10.241 4.866 5.997 1.00 0.00 C ATOM 357 O ILE A 24 11.413 4.671 5.679 1.00 0.00 O ATOM 358 CB ILE A 24 8.563 3.199 5.227 1.00 0.00 C ATOM 359 CG1 ILE A 24 9.514 2.593 4.197 1.00 0.00 C ATOM 360 CG2 ILE A 24 7.753 4.327 4.606 1.00 0.00 C ATOM 361 CD1 ILE A 24 9.847 1.140 4.460 1.00 0.00 C ATOM 0 H ILE A 24 7.473 3.989 7.328 1.00 0.00 H new ATOM 0 HA ILE A 24 9.969 2.907 6.836 1.00 0.00 H new ATOM 0 HB ILE A 24 7.875 2.423 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.067 2.681 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.438 3.172 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.200 3.948 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.053 4.721 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.425 5.122 4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.526 0.777 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.323 1.047 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.932 0.548 4.445 1.00 0.00 H new ATOM 373 N ALA A 25 9.677 6.066 5.972 1.00 0.00 N ATOM 374 CA ALA A 25 10.428 7.244 5.563 1.00 0.00 C ATOM 375 C ALA A 25 11.488 7.588 6.595 1.00 0.00 C ATOM 376 O ALA A 25 12.658 7.771 6.260 1.00 0.00 O ATOM 377 CB ALA A 25 9.494 8.419 5.335 1.00 0.00 C ATOM 0 H ALA A 25 8.707 6.249 6.229 1.00 0.00 H new ATOM 0 HA ALA A 25 10.931 7.022 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.073 9.290 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.777 8.168 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.960 8.644 6.258 1.00 0.00 H new ATOM 383 N SER A 26 11.079 7.652 7.855 1.00 0.00 N ATOM 384 CA SER A 26 12.008 7.947 8.932 1.00 0.00 C ATOM 385 C SER A 26 13.041 6.829 9.041 1.00 0.00 C ATOM 386 O SER A 26 14.054 6.970 9.726 1.00 0.00 O ATOM 387 CB SER A 26 11.263 8.105 10.258 1.00 0.00 C ATOM 388 OG SER A 26 11.075 6.851 10.892 1.00 0.00 O ATOM 0 H SER A 26 10.115 7.504 8.153 1.00 0.00 H new ATOM 0 HA SER A 26 12.515 8.886 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.824 8.768 10.917 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.296 8.575 10.081 1.00 0.00 H new ATOM 0 HG SER A 26 10.741 6.201 10.239 1.00 0.00 H new ATOM 394 N THR A 27 12.774 5.718 8.356 1.00 0.00 N ATOM 395 CA THR A 27 13.681 4.577 8.372 1.00 0.00 C ATOM 396 C THR A 27 14.694 4.678 7.239 1.00 0.00 C ATOM 397 O THR A 27 15.883 4.430 7.435 1.00 0.00 O ATOM 398 CB THR A 27 12.898 3.269 8.257 1.00 0.00 C ATOM 399 OG1 THR A 27 12.164 3.017 9.442 1.00 0.00 O ATOM 400 CG2 THR A 27 13.781 2.067 8.000 1.00 0.00 C ATOM 0 H THR A 27 11.939 5.586 7.785 1.00 0.00 H new ATOM 0 HA THR A 27 14.217 4.584 9.321 1.00 0.00 H new ATOM 0 HB THR A 27 12.234 3.403 7.403 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.358 3.574 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.164 1.171 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.325 2.208 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.491 1.955 8.820 1.00 0.00 H new ATOM 408 N ALA A 28 14.214 5.043 6.054 1.00 0.00 N ATOM 409 CA ALA A 28 15.075 5.179 4.887 1.00 0.00 C ATOM 410 C ALA A 28 16.453 5.692 5.283 1.00 0.00 C ATOM 411 O ALA A 28 17.425 4.937 5.316 1.00 0.00 O ATOM 412 CB ALA A 28 14.439 6.110 3.866 1.00 0.00 C ATOM 0 H ALA A 28 13.231 5.250 5.878 1.00 0.00 H new ATOM 0 HA ALA A 28 15.195 4.193 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.094 6.202 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.477 5.704 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 28 14.289 7.093 4.313 1.00 0.00 H new ATOM 418 N HIS A 29 16.528 6.981 5.586 1.00 0.00 N ATOM 419 CA HIS A 29 17.784 7.600 5.984 1.00 0.00 C ATOM 420 C HIS A 29 18.505 6.740 7.017 1.00 0.00 C ATOM 421 O HIS A 29 19.723 6.570 6.958 1.00 0.00 O ATOM 422 CB HIS A 29 17.532 9.003 6.546 1.00 0.00 C ATOM 423 CG HIS A 29 16.808 9.008 7.857 1.00 0.00 C ATOM 424 ND1 HIS A 29 17.455 9.057 9.074 1.00 0.00 N ATOM 425 CD2 HIS A 29 15.483 8.977 8.140 1.00 0.00 C ATOM 426 CE1 HIS A 29 16.561 9.058 10.047 1.00 0.00 C ATOM 427 NE2 HIS A 29 15.358 9.009 9.507 1.00 0.00 N ATOM 0 H HIS A 29 15.732 7.619 5.564 1.00 0.00 H new ATOM 0 HA HIS A 29 18.419 7.684 5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 29 18.488 9.513 6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 29 16.955 9.577 5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.676 8.935 7.424 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.778 9.093 11.104 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.478 8.997 10.022 1.00 0.00 H new ATOM 436 N ASP A 30 17.745 6.193 7.961 1.00 0.00 N ATOM 437 CA ASP A 30 18.314 5.346 9.002 1.00 0.00 C ATOM 438 C ASP A 30 18.994 4.122 8.395 1.00 0.00 C ATOM 439 O ASP A 30 19.957 3.595 8.952 1.00 0.00 O ATOM 440 CB ASP A 30 17.229 4.908 9.987 1.00 0.00 C ATOM 441 CG ASP A 30 17.804 4.302 11.251 1.00 0.00 C ATOM 442 OD1 ASP A 30 19.041 4.138 11.322 1.00 0.00 O ATOM 443 OD2 ASP A 30 17.019 3.991 12.171 1.00 0.00 O ATOM 0 H ASP A 30 16.735 6.321 8.026 1.00 0.00 H new ATOM 0 HA ASP A 30 19.064 5.928 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.611 5.767 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.576 4.181 9.504 1.00 0.00 H new ATOM 448 N VAL A 31 18.484 3.673 7.253 1.00 0.00 N ATOM 449 CA VAL A 31 19.042 2.510 6.572 1.00 0.00 C ATOM 450 C VAL A 31 20.370 2.846 5.909 1.00 0.00 C ATOM 451 O VAL A 31 21.391 2.215 6.186 1.00 0.00 O ATOM 452 CB VAL A 31 18.068 1.962 5.512 1.00 0.00 C ATOM 453 CG1 VAL A 31 18.391 0.512 5.184 1.00 0.00 C ATOM 454 CG2 VAL A 31 16.630 2.103 5.988 1.00 0.00 C ATOM 0 H VAL A 31 17.686 4.096 6.780 1.00 0.00 H new ATOM 0 HA VAL A 31 19.206 1.745 7.331 1.00 0.00 H new ATOM 0 HB VAL A 31 18.185 2.548 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.691 0.144 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.408 0.444 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.306 -0.093 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.955 1.711 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.497 1.544 6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.407 3.155 6.164 1.00 0.00 H new ATOM 464 N TYR A 32 20.355 3.846 5.037 1.00 0.00 N ATOM 465 CA TYR A 32 21.565 4.266 4.344 1.00 0.00 C ATOM 466 C TYR A 32 22.682 4.533 5.345 1.00 0.00 C ATOM 467 O TYR A 32 23.862 4.527 4.996 1.00 0.00 O ATOM 468 CB TYR A 32 21.298 5.526 3.515 1.00 0.00 C ATOM 469 CG TYR A 32 21.312 5.290 2.021 1.00 0.00 C ATOM 470 CD1 TYR A 32 22.437 4.774 1.388 1.00 0.00 C ATOM 471 CD2 TYR A 32 20.202 5.589 1.241 1.00 0.00 C ATOM 472 CE1 TYR A 32 22.454 4.563 0.022 1.00 0.00 C ATOM 473 CE2 TYR A 32 20.210 5.380 -0.125 1.00 0.00 C ATOM 474 CZ TYR A 32 21.337 4.866 -0.729 1.00 0.00 C ATOM 475 OH TYR A 32 21.348 4.656 -2.090 1.00 0.00 O ATOM 0 H TYR A 32 19.521 4.380 4.794 1.00 0.00 H new ATOM 0 HA TYR A 32 21.873 3.463 3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 32 20.330 5.938 3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 32 22.048 6.277 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.312 4.534 1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.317 5.992 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.337 4.163 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.338 5.618 -0.716 1.00 0.00 H new ATOM 0 HH TYR A 32 20.484 4.920 -2.469 1.00 0.00 H new ATOM 485 N SER A 33 22.294 4.770 6.593 1.00 0.00 N ATOM 486 CA SER A 33 23.249 5.044 7.657 1.00 0.00 C ATOM 487 C SER A 33 23.974 3.778 8.087 1.00 0.00 C ATOM 488 O SER A 33 25.192 3.667 7.943 1.00 0.00 O ATOM 489 CB SER A 33 22.526 5.649 8.854 1.00 0.00 C ATOM 490 OG SER A 33 23.156 6.844 9.285 1.00 0.00 O ATOM 0 H SER A 33 21.319 4.778 6.892 1.00 0.00 H new ATOM 0 HA SER A 33 23.988 5.749 7.276 1.00 0.00 H new ATOM 0 HB2 SER A 33 21.489 5.857 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 33 22.507 4.929 9.672 1.00 0.00 H new ATOM 0 HG SER A 33 22.670 7.211 10.053 1.00 0.00 H new ATOM 496 N PHE A 34 23.219 2.824 8.611 1.00 0.00 N ATOM 497 CA PHE A 34 23.795 1.563 9.054 1.00 0.00 C ATOM 498 C PHE A 34 24.194 0.716 7.851 1.00 0.00 C ATOM 499 O PHE A 34 24.793 -0.351 7.994 1.00 0.00 O ATOM 500 CB PHE A 34 22.806 0.807 9.942 1.00 0.00 C ATOM 501 CG PHE A 34 22.628 1.435 11.297 1.00 0.00 C ATOM 502 CD1 PHE A 34 21.812 2.544 11.463 1.00 0.00 C ATOM 503 CD2 PHE A 34 23.283 0.919 12.404 1.00 0.00 C ATOM 504 CE1 PHE A 34 21.651 3.123 12.707 1.00 0.00 C ATOM 505 CE2 PHE A 34 23.127 1.495 13.650 1.00 0.00 C ATOM 506 CZ PHE A 34 22.310 2.600 13.802 1.00 0.00 C ATOM 0 H PHE A 34 22.210 2.898 8.740 1.00 0.00 H new ATOM 0 HA PHE A 34 24.689 1.773 9.641 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.839 0.760 9.440 1.00 0.00 H new ATOM 0 HB3 PHE A 34 23.151 -0.220 10.067 1.00 0.00 H new ATOM 0 HD1 PHE A 34 21.296 2.960 10.610 1.00 0.00 H new ATOM 0 HD2 PHE A 34 23.923 0.056 12.291 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.010 3.984 12.823 1.00 0.00 H new ATOM 0 HE2 PHE A 34 23.643 1.083 14.505 1.00 0.00 H new ATOM 0 HZ PHE A 34 22.188 3.053 14.775 1.00 0.00 H new ATOM 516 N PHE A 35 23.857 1.212 6.664 1.00 0.00 N ATOM 517 CA PHE A 35 24.173 0.528 5.419 1.00 0.00 C ATOM 518 C PHE A 35 25.604 0.004 5.411 1.00 0.00 C ATOM 519 O PHE A 35 25.830 -1.191 5.594 1.00 0.00 O ATOM 520 CB PHE A 35 23.966 1.472 4.233 1.00 0.00 C ATOM 521 CG PHE A 35 22.956 0.971 3.250 1.00 0.00 C ATOM 522 CD1 PHE A 35 21.779 0.384 3.683 1.00 0.00 C ATOM 523 CD2 PHE A 35 23.195 1.071 1.893 1.00 0.00 C ATOM 524 CE1 PHE A 35 20.855 -0.092 2.773 1.00 0.00 C ATOM 525 CE2 PHE A 35 22.279 0.595 0.978 1.00 0.00 C ATOM 526 CZ PHE A 35 21.108 0.012 1.417 1.00 0.00 C ATOM 0 H PHE A 35 23.360 2.094 6.541 1.00 0.00 H new ATOM 0 HA PHE A 35 23.500 -0.325 5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 35 23.650 2.447 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 35 24.918 1.618 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 35 21.582 0.298 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.110 1.527 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.937 -0.544 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 35 22.478 0.679 -0.080 1.00 0.00 H new ATOM 0 HZ PHE A 35 20.390 -0.363 0.703 1.00 0.00 H new ATOM 536 N LYS A 36 26.550 0.920 5.182 1.00 0.00 N ATOM 537 CA LYS A 36 27.983 0.602 5.122 1.00 0.00 C ATOM 538 C LYS A 36 28.262 -0.888 5.329 1.00 0.00 C ATOM 539 O LYS A 36 28.608 -1.600 4.386 1.00 0.00 O ATOM 540 CB LYS A 36 28.778 1.430 6.146 1.00 0.00 C ATOM 541 CG LYS A 36 27.927 2.209 7.145 1.00 0.00 C ATOM 542 CD LYS A 36 28.428 3.636 7.307 1.00 0.00 C ATOM 543 CE LYS A 36 29.054 3.857 8.676 1.00 0.00 C ATOM 544 NZ LYS A 36 30.502 3.512 8.690 1.00 0.00 N ATOM 0 H LYS A 36 26.344 1.908 5.032 1.00 0.00 H new ATOM 0 HA LYS A 36 28.313 0.864 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 36 29.438 0.761 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 36 29.414 2.133 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.890 2.222 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.944 1.704 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.161 3.855 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 36 27.600 4.331 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 36 28.927 4.899 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.530 3.252 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 30.889 3.677 9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 30.623 2.511 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 31.007 4.107 8.003 1.00 0.00 H new ATOM 558 N PRO A 37 28.115 -1.378 6.569 1.00 0.00 N ATOM 559 CA PRO A 37 28.349 -2.775 6.901 1.00 0.00 C ATOM 560 C PRO A 37 27.979 -3.727 5.769 1.00 0.00 C ATOM 561 O PRO A 37 28.796 -4.541 5.338 1.00 0.00 O ATOM 562 CB PRO A 37 27.426 -2.993 8.098 1.00 0.00 C ATOM 563 CG PRO A 37 27.302 -1.655 8.759 1.00 0.00 C ATOM 564 CD PRO A 37 27.708 -0.605 7.750 1.00 0.00 C ATOM 0 HA PRO A 37 29.402 -2.977 7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 26.452 -3.365 7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 37 27.841 -3.732 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 37 26.279 -1.488 9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 37 27.939 -1.604 9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 37 26.881 0.067 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 37 28.526 0.011 8.124 1.00 0.00 H new ATOM 572 N LYS A 38 26.741 -3.629 5.305 1.00 0.00 N ATOM 573 CA LYS A 38 26.257 -4.494 4.234 1.00 0.00 C ATOM 574 C LYS A 38 26.469 -3.866 2.862 1.00 0.00 C ATOM 575 O LYS A 38 27.080 -4.473 1.983 1.00 0.00 O ATOM 576 CB LYS A 38 24.776 -4.813 4.437 1.00 0.00 C ATOM 577 CG LYS A 38 24.510 -6.276 4.748 1.00 0.00 C ATOM 578 CD LYS A 38 23.247 -6.449 5.575 1.00 0.00 C ATOM 579 CE LYS A 38 23.561 -6.531 7.059 1.00 0.00 C ATOM 580 NZ LYS A 38 23.154 -7.839 7.641 1.00 0.00 N ATOM 0 H LYS A 38 26.053 -2.961 5.652 1.00 0.00 H new ATOM 0 HA LYS A 38 26.835 -5.417 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.388 -4.200 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 38 24.226 -4.535 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.416 -6.836 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 38 25.360 -6.695 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 38 22.572 -5.613 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 38 22.726 -7.354 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.630 -6.382 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.048 -5.725 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.385 -7.855 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.130 -7.970 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.662 -8.607 7.158 1.00 0.00 H new ATOM 594 N HIS A 39 25.955 -2.656 2.681 1.00 0.00 N ATOM 595 CA HIS A 39 26.084 -1.954 1.409 1.00 0.00 C ATOM 596 C HIS A 39 25.812 -2.894 0.239 1.00 0.00 C ATOM 597 O HIS A 39 24.676 -3.020 -0.217 1.00 0.00 O ATOM 598 CB HIS A 39 27.482 -1.350 1.276 1.00 0.00 C ATOM 599 CG HIS A 39 27.539 0.098 1.638 1.00 0.00 C ATOM 600 ND1 HIS A 39 26.511 0.747 2.283 1.00 0.00 N ATOM 601 CD2 HIS A 39 28.509 1.024 1.447 1.00 0.00 C ATOM 602 CE1 HIS A 39 26.843 2.009 2.476 1.00 0.00 C ATOM 603 NE2 HIS A 39 28.051 2.204 1.978 1.00 0.00 N ATOM 0 H HIS A 39 25.445 -2.140 3.398 1.00 0.00 H new ATOM 0 HA HIS A 39 25.345 -1.153 1.388 1.00 0.00 H new ATOM 0 HB2 HIS A 39 28.171 -1.904 1.914 1.00 0.00 H new ATOM 0 HB3 HIS A 39 27.827 -1.474 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 39 29.463 0.864 0.967 1.00 0.00 H new ATOM 0 HE1 HIS A 39 26.231 2.756 2.959 1.00 0.00 H new ATOM 0 HE2 HIS A 39 28.560 3.088 1.987 1.00 0.00 H new ATOM 612 N LYS A 40 26.860 -3.555 -0.241 1.00 0.00 N ATOM 613 CA LYS A 40 26.727 -4.482 -1.356 1.00 0.00 C ATOM 614 C LYS A 40 26.749 -5.927 -0.870 1.00 0.00 C ATOM 615 O LYS A 40 27.406 -6.253 0.120 1.00 0.00 O ATOM 616 CB LYS A 40 27.846 -4.259 -2.375 1.00 0.00 C ATOM 617 CG LYS A 40 29.190 -3.943 -1.743 1.00 0.00 C ATOM 618 CD LYS A 40 30.272 -3.774 -2.796 1.00 0.00 C ATOM 619 CE LYS A 40 31.339 -2.793 -2.341 1.00 0.00 C ATOM 620 NZ LYS A 40 32.617 -3.479 -2.003 1.00 0.00 N ATOM 0 H LYS A 40 27.808 -3.466 0.124 1.00 0.00 H new ATOM 0 HA LYS A 40 25.767 -4.292 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 40 27.946 -5.151 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 40 27.564 -3.441 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 40 29.110 -3.031 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 40 29.469 -4.744 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 40 30.730 -4.740 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 40 29.825 -3.423 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 31.518 -2.060 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 40 30.980 -2.245 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.319 -2.775 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 32.453 -4.160 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 32.973 -3.982 -2.841 1.00 0.00 H new ATOM 634 N LYS A 41 26.027 -6.789 -1.577 1.00 0.00 N ATOM 635 CA LYS A 41 25.958 -8.202 -1.225 1.00 0.00 C ATOM 636 C LYS A 41 25.115 -8.967 -2.241 1.00 0.00 C ATOM 637 O LYS A 41 24.255 -9.768 -1.876 1.00 0.00 O ATOM 638 CB LYS A 41 25.374 -8.371 0.179 1.00 0.00 C ATOM 639 CG LYS A 41 26.025 -9.487 0.978 1.00 0.00 C ATOM 640 CD LYS A 41 27.500 -9.209 1.224 1.00 0.00 C ATOM 641 CE LYS A 41 28.361 -10.406 0.854 1.00 0.00 C ATOM 642 NZ LYS A 41 29.152 -10.900 2.014 1.00 0.00 N ATOM 0 H LYS A 41 25.480 -6.533 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 41 26.969 -8.609 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 41 25.483 -7.434 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.305 -8.569 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 41 25.511 -9.600 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 41 25.916 -10.430 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 27.810 -8.342 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 41 27.654 -8.959 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 41 27.725 -11.209 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 41 29.037 -10.131 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 29.726 -11.716 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 29.777 -10.142 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 28.507 -11.187 2.777 1.00 0.00 H new ATOM 656 N LYS A 42 25.369 -8.707 -3.522 1.00 0.00 N ATOM 657 CA LYS A 42 24.639 -9.362 -4.603 1.00 0.00 C ATOM 658 C LYS A 42 24.894 -10.866 -4.607 1.00 0.00 C ATOM 659 O LYS A 42 26.070 -11.266 -4.743 1.00 0.00 O ATOM 660 CB LYS A 42 25.042 -8.760 -5.950 1.00 0.00 C ATOM 661 CG LYS A 42 25.071 -7.240 -5.954 1.00 0.00 C ATOM 662 CD LYS A 42 23.793 -6.660 -6.541 1.00 0.00 C ATOM 663 CE LYS A 42 23.774 -5.143 -6.445 1.00 0.00 C ATOM 664 NZ LYS A 42 22.439 -4.580 -6.787 1.00 0.00 N ATOM 665 OXT LYS A 42 23.916 -11.634 -4.480 1.00 0.00 O ATOM 0 H LYS A 42 26.078 -8.044 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 42 23.574 -9.198 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 42 26.028 -9.134 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 24.346 -9.104 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 42 25.203 -6.875 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 42 25.928 -6.893 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 42 23.702 -6.961 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 42 22.931 -7.070 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 42 24.047 -4.840 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 24.526 -4.728 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.469 -3.543 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 22.189 -4.847 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.725 -4.956 -6.131 1.00 0.00 H new TER 679 LYS A 42