USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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 ARG N :NH3+ -154:sc= -0.0466 (180deg=-0.874) USER MOD Single : A 2 MET CE :methyl 156:sc= -0.187 (180deg=-0.428) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 5:sc= 0.558 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -116:sc= 0.664 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.515 USER MOD Single : A 24 ASN : amide:sc= 0.0639 X(o=0.064,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -157:sc= -0.0354 (180deg=-0.698) USER MOD Single : B 2 MET CE :methyl 156:sc= -0.201 (180deg=-0.425) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 8:sc= 0.507 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot -113:sc= 0.645 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.57 USER MOD Single : B 24 ASN : amide:sc= 0.0747 X(o=0.075,f=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.971 3.095 -15.619 1.00 0.00 N ATOM 2 CA ARG A 1 10.025 1.687 -15.130 1.00 0.00 C ATOM 3 C ARG A 1 11.351 1.036 -15.531 1.00 0.00 C ATOM 4 O ARG A 1 11.551 0.665 -16.671 1.00 0.00 O ATOM 5 CB ARG A 1 8.854 0.986 -15.818 1.00 0.00 C ATOM 6 CG ARG A 1 7.559 1.746 -15.525 1.00 0.00 C ATOM 7 CD ARG A 1 6.358 0.847 -15.832 1.00 0.00 C ATOM 8 NE ARG A 1 5.546 0.852 -14.584 1.00 0.00 N ATOM 9 CZ ARG A 1 4.278 1.156 -14.631 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.587 0.904 -15.710 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.700 1.710 -13.601 1.00 0.00 N ATOM 0 H1 ARG A 1 9.334 3.649 -15.012 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.924 3.510 -15.590 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.617 3.110 -16.597 1.00 0.00 H new ATOM 0 HA ARG A 1 9.958 1.624 -14.044 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.025 0.940 -16.893 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.773 -0.042 -15.464 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.536 2.057 -14.481 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.512 2.652 -16.129 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.785 1.228 -16.677 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.676 -0.162 -16.092 1.00 0.00 H new ATOM 0 HE ARG A 1 5.981 0.618 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.039 0.470 -16.515 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.596 1.141 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.239 1.906 -12.758 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.709 1.947 -13.639 1.00 0.00 H new ATOM 27 N MET A 2 12.258 0.894 -14.603 1.00 0.00 N ATOM 28 CA MET A 2 13.570 0.267 -14.933 1.00 0.00 C ATOM 29 C MET A 2 13.390 -1.230 -15.200 1.00 0.00 C ATOM 30 O MET A 2 12.401 -1.654 -15.765 1.00 0.00 O ATOM 31 CB MET A 2 14.436 0.489 -13.693 1.00 0.00 C ATOM 32 CG MET A 2 13.898 -0.355 -12.537 1.00 0.00 C ATOM 33 SD MET A 2 13.443 0.729 -11.160 1.00 0.00 S ATOM 34 CE MET A 2 11.686 0.303 -11.105 1.00 0.00 C ATOM 0 H MET A 2 12.148 1.185 -13.632 1.00 0.00 H new ATOM 0 HA MET A 2 14.020 0.697 -15.828 1.00 0.00 H new ATOM 0 HB2 MET A 2 15.470 0.217 -13.905 1.00 0.00 H new ATOM 0 HB3 MET A 2 14.434 1.544 -13.419 1.00 0.00 H new ATOM 0 HG2 MET A 2 13.031 -0.929 -12.864 1.00 0.00 H new ATOM 0 HG3 MET A 2 14.652 -1.073 -12.215 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.294 0.504 -10.108 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.143 0.902 -11.836 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.561 -0.754 -11.338 1.00 0.00 H new ATOM 44 N LYS A 3 14.338 -2.032 -14.800 1.00 0.00 N ATOM 45 CA LYS A 3 14.220 -3.500 -15.031 1.00 0.00 C ATOM 46 C LYS A 3 12.846 -3.999 -14.576 1.00 0.00 C ATOM 47 O LYS A 3 12.129 -3.317 -13.872 1.00 0.00 O ATOM 48 CB LYS A 3 15.325 -4.124 -14.179 1.00 0.00 C ATOM 49 CG LYS A 3 16.540 -4.426 -15.059 1.00 0.00 C ATOM 50 CD LYS A 3 16.912 -5.904 -14.927 1.00 0.00 C ATOM 51 CE LYS A 3 17.785 -6.100 -13.685 1.00 0.00 C ATOM 52 NZ LYS A 3 18.876 -7.015 -14.124 1.00 0.00 N ATOM 0 H LYS A 3 15.189 -1.735 -14.323 1.00 0.00 H new ATOM 0 HA LYS A 3 14.320 -3.761 -16.084 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.606 -3.445 -13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.965 -5.040 -13.712 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.317 -4.188 -16.099 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.382 -3.800 -14.762 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.010 -6.512 -14.851 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.446 -6.237 -15.817 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.185 -5.150 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.213 -6.532 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.518 -7.198 -13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.466 -7.913 -14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.407 -6.574 -14.902 1.00 0.00 H new ATOM 66 N LYS A 4 12.474 -5.187 -14.972 1.00 0.00 N ATOM 67 CA LYS A 4 11.147 -5.728 -14.561 1.00 0.00 C ATOM 68 C LYS A 4 11.228 -7.245 -14.375 1.00 0.00 C ATOM 69 O LYS A 4 12.264 -7.850 -14.571 1.00 0.00 O ATOM 70 CB LYS A 4 10.205 -5.380 -15.714 1.00 0.00 C ATOM 71 CG LYS A 4 9.448 -4.091 -15.383 1.00 0.00 C ATOM 72 CD LYS A 4 8.255 -3.943 -16.330 1.00 0.00 C ATOM 73 CE LYS A 4 7.427 -2.723 -15.920 1.00 0.00 C ATOM 74 NZ LYS A 4 6.034 -3.050 -16.333 1.00 0.00 N ATOM 0 H LYS A 4 13.031 -5.805 -15.562 1.00 0.00 H new ATOM 0 HA LYS A 4 10.806 -5.310 -13.614 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.772 -5.255 -16.636 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.501 -6.195 -15.881 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.104 -4.114 -14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.112 -3.232 -15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.604 -3.831 -17.357 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.639 -4.841 -16.299 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.490 -2.546 -14.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.784 -1.819 -16.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.404 -2.260 -16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.004 -3.207 -17.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.719 -3.911 -15.842 1.00 0.00 H new ATOM 88 N LYS A 5 10.143 -7.866 -13.999 1.00 0.00 N ATOM 89 CA LYS A 5 10.160 -9.344 -13.801 1.00 0.00 C ATOM 90 C LYS A 5 8.729 -9.890 -13.771 1.00 0.00 C ATOM 91 O LYS A 5 8.085 -9.912 -12.741 1.00 0.00 O ATOM 92 CB LYS A 5 10.842 -9.553 -12.449 1.00 0.00 C ATOM 93 CG LYS A 5 11.348 -10.993 -12.350 1.00 0.00 C ATOM 94 CD LYS A 5 12.874 -11.007 -12.463 1.00 0.00 C ATOM 95 CE LYS A 5 13.407 -12.372 -12.021 1.00 0.00 C ATOM 96 NZ LYS A 5 14.877 -12.182 -11.882 1.00 0.00 N ATOM 0 H LYS A 5 9.246 -7.414 -13.820 1.00 0.00 H new ATOM 0 HA LYS A 5 10.681 -9.863 -14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.673 -8.856 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.141 -9.346 -11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.039 -11.434 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.909 -11.599 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.175 -10.803 -13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.302 -10.219 -11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.958 -12.685 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.176 -13.143 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.316 -13.076 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.277 -11.891 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.066 -11.447 -11.171 1.00 0.00 H new ATOM 110 N ASP A 6 8.229 -10.331 -14.892 1.00 0.00 N ATOM 111 CA ASP A 6 6.840 -10.875 -14.926 1.00 0.00 C ATOM 112 C ASP A 6 6.818 -12.222 -15.654 1.00 0.00 C ATOM 113 O ASP A 6 6.043 -12.433 -16.566 1.00 0.00 O ATOM 114 CB ASP A 6 6.028 -9.836 -15.698 1.00 0.00 C ATOM 115 CG ASP A 6 6.693 -9.569 -17.051 1.00 0.00 C ATOM 116 OD1 ASP A 6 7.048 -10.530 -17.714 1.00 0.00 O ATOM 117 OD2 ASP A 6 6.835 -8.410 -17.400 1.00 0.00 O ATOM 0 H ASP A 6 8.721 -10.339 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 6 6.438 -11.047 -13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.009 -10.193 -15.846 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.962 -8.911 -15.125 1.00 0.00 H new ATOM 122 N GLU A 7 7.661 -13.136 -15.257 1.00 0.00 N ATOM 123 CA GLU A 7 7.687 -14.469 -15.928 1.00 0.00 C ATOM 124 C GLU A 7 6.634 -15.393 -15.308 1.00 0.00 C ATOM 125 O GLU A 7 6.614 -16.582 -15.560 1.00 0.00 O ATOM 126 CB GLU A 7 9.093 -15.011 -15.673 1.00 0.00 C ATOM 127 CG GLU A 7 9.584 -15.759 -16.915 1.00 0.00 C ATOM 128 CD GLU A 7 11.012 -16.255 -16.681 1.00 0.00 C ATOM 129 OE1 GLU A 7 11.210 -17.006 -15.739 1.00 0.00 O ATOM 130 OE2 GLU A 7 11.883 -15.877 -17.446 1.00 0.00 O ATOM 0 H GLU A 7 8.332 -13.019 -14.498 1.00 0.00 H new ATOM 0 HA GLU A 7 7.463 -14.402 -16.993 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.773 -14.192 -15.436 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.086 -15.679 -14.812 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.926 -16.601 -17.129 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.554 -15.102 -17.784 1.00 0.00 H new ATOM 137 N GLY A 8 5.762 -14.856 -14.500 1.00 0.00 N ATOM 138 CA GLY A 8 4.714 -15.705 -13.866 1.00 0.00 C ATOM 139 C GLY A 8 3.339 -15.307 -14.405 1.00 0.00 C ATOM 140 O GLY A 8 2.723 -14.371 -13.934 1.00 0.00 O ATOM 0 H GLY A 8 5.730 -13.867 -14.251 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.908 -16.757 -14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.740 -15.585 -12.783 1.00 0.00 H new ATOM 144 N SER A 9 2.852 -16.011 -15.391 1.00 0.00 N ATOM 145 CA SER A 9 1.515 -15.672 -15.959 1.00 0.00 C ATOM 146 C SER A 9 0.405 -16.095 -14.994 1.00 0.00 C ATOM 147 O SER A 9 0.361 -17.220 -14.538 1.00 0.00 O ATOM 148 CB SER A 9 1.427 -16.470 -17.259 1.00 0.00 C ATOM 149 OG SER A 9 1.329 -17.856 -16.955 1.00 0.00 O ATOM 0 H SER A 9 3.321 -16.805 -15.827 1.00 0.00 H new ATOM 0 HA SER A 9 1.397 -14.601 -16.126 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.560 -16.151 -17.837 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.307 -16.282 -17.874 1.00 0.00 H new ATOM 0 HG SER A 9 1.255 -17.974 -15.985 1.00 0.00 H new ATOM 155 N TYR A 10 -0.492 -15.201 -14.678 1.00 0.00 N ATOM 156 CA TYR A 10 -1.599 -15.553 -13.743 1.00 0.00 C ATOM 157 C TYR A 10 -2.769 -14.582 -13.917 1.00 0.00 C ATOM 158 O TYR A 10 -3.755 -14.891 -14.556 1.00 0.00 O ATOM 159 CB TYR A 10 -0.992 -15.415 -12.346 1.00 0.00 C ATOM 160 CG TYR A 10 -0.175 -16.644 -12.029 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.798 -17.895 -11.936 1.00 0.00 C ATOM 162 CD2 TYR A 10 1.206 -16.534 -11.826 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.040 -19.035 -11.641 1.00 0.00 C ATOM 164 CE2 TYR A 10 1.964 -17.674 -11.532 1.00 0.00 C ATOM 165 CZ TYR A 10 1.341 -18.924 -11.439 1.00 0.00 C ATOM 166 OH TYR A 10 2.088 -20.047 -11.149 1.00 0.00 O ATOM 0 H TYR A 10 -0.506 -14.242 -15.027 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.990 -16.555 -13.923 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.364 -14.525 -12.297 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.782 -15.289 -11.605 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.863 -17.980 -12.092 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.687 -15.569 -11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.521 -20.000 -11.569 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.029 -17.589 -11.377 1.00 0.00 H new ATOM 0 HH TYR A 10 3.029 -19.795 -11.040 1.00 0.00 H new ATOM 176 N ASP A 11 -2.668 -13.409 -13.353 1.00 0.00 N ATOM 177 CA ASP A 11 -3.775 -12.419 -13.488 1.00 0.00 C ATOM 178 C ASP A 11 -3.247 -10.999 -13.269 1.00 0.00 C ATOM 179 O ASP A 11 -3.706 -10.282 -12.403 1.00 0.00 O ATOM 180 CB ASP A 11 -4.774 -12.793 -12.391 1.00 0.00 C ATOM 181 CG ASP A 11 -6.070 -12.005 -12.592 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.640 -12.104 -13.666 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.471 -11.317 -11.668 1.00 0.00 O ATOM 0 H ASP A 11 -1.868 -13.093 -12.805 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.228 -12.439 -14.479 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.978 -13.863 -12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.352 -12.575 -11.410 1.00 0.00 H new ATOM 188 N LEU A 12 -2.284 -10.588 -14.049 1.00 1.28 N ATOM 189 CA LEU A 12 -1.727 -9.215 -13.885 1.00 0.73 C ATOM 190 C LEU A 12 -0.823 -8.866 -15.070 1.00 0.87 C ATOM 191 O LEU A 12 -0.115 -9.704 -15.592 1.00 1.64 O ATOM 192 CB LEU A 12 -0.915 -9.270 -12.591 1.00 0.68 C ATOM 193 CG LEU A 12 -0.001 -8.049 -12.508 1.00 1.32 C ATOM 194 CD1 LEU A 12 0.284 -7.721 -11.041 1.00 2.01 C ATOM 195 CD2 LEU A 12 1.317 -8.349 -13.227 1.00 2.20 C ATOM 0 H LEU A 12 -1.859 -11.143 -14.792 1.00 1.28 H new ATOM 0 HA LEU A 12 -2.507 -8.455 -13.846 1.00 0.73 H new ATOM 0 HB2 LEU A 12 -1.584 -9.295 -11.731 1.00 0.68 H new ATOM 0 HB3 LEU A 12 -0.322 -10.184 -12.561 1.00 0.68 H new ATOM 0 HG LEU A 12 -0.490 -7.198 -12.982 1.00 1.32 H new ATOM 0 HD11 LEU A 12 0.936 -6.850 -10.983 1.00 2.01 H new ATOM 0 HD12 LEU A 12 -0.653 -7.507 -10.527 1.00 2.01 H new ATOM 0 HD13 LEU A 12 0.772 -8.572 -10.566 1.00 2.01 H new ATOM 0 HD21 LEU A 12 1.970 -7.478 -13.168 1.00 2.20 H new ATOM 0 HD22 LEU A 12 1.805 -9.201 -12.753 1.00 2.20 H new ATOM 0 HD23 LEU A 12 1.116 -8.582 -14.273 1.00 2.20 H new ATOM 207 N GLY A 13 -0.840 -7.633 -15.498 1.00 0.90 N ATOM 208 CA GLY A 13 0.019 -7.231 -16.648 1.00 1.01 C ATOM 209 C GLY A 13 0.160 -5.708 -16.674 1.00 0.66 C ATOM 210 O GLY A 13 1.249 -5.177 -16.759 1.00 0.73 O ATOM 0 H GLY A 13 -1.411 -6.887 -15.101 1.00 0.90 H new ATOM 0 HA2 GLY A 13 1.001 -7.696 -16.562 1.00 1.01 H new ATOM 0 HA3 GLY A 13 -0.419 -7.582 -17.582 1.00 1.01 H new ATOM 214 N LYS A 14 -0.934 -5.001 -16.598 1.00 0.51 N ATOM 215 CA LYS A 14 -0.862 -3.511 -16.616 1.00 0.38 C ATOM 216 C LYS A 14 -0.822 -2.965 -15.186 1.00 0.34 C ATOM 217 O LYS A 14 -1.284 -3.598 -14.257 1.00 0.53 O ATOM 218 CB LYS A 14 -2.140 -3.063 -17.326 1.00 0.75 C ATOM 219 CG LYS A 14 -1.906 -3.049 -18.838 1.00 1.18 C ATOM 220 CD LYS A 14 -3.211 -3.392 -19.559 1.00 1.23 C ATOM 221 CE LYS A 14 -3.270 -2.642 -20.892 1.00 1.52 C ATOM 222 NZ LYS A 14 -3.429 -3.706 -21.923 1.00 2.12 N ATOM 0 H LYS A 14 -1.874 -5.389 -16.524 1.00 0.51 H new ATOM 0 HA LYS A 14 0.034 -3.146 -17.119 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -2.960 -3.737 -17.081 1.00 0.75 H new ATOM 0 HB3 LYS A 14 -2.430 -2.070 -16.983 1.00 0.75 H new ATOM 0 HG2 LYS A 14 -1.551 -2.068 -19.153 1.00 1.18 H new ATOM 0 HG3 LYS A 14 -1.131 -3.768 -19.104 1.00 1.18 H new ATOM 0 HD2 LYS A 14 -3.272 -4.467 -19.731 1.00 1.23 H new ATOM 0 HD3 LYS A 14 -4.064 -3.120 -18.938 1.00 1.23 H new ATOM 0 HE2 LYS A 14 -4.105 -1.942 -20.915 1.00 1.52 H new ATOM 0 HE3 LYS A 14 -2.363 -2.062 -21.060 1.00 1.52 H new ATOM 0 HZ1 LYS A 14 -3.477 -3.271 -22.866 1.00 2.12 H new ATOM 0 HZ2 LYS A 14 -2.616 -4.354 -21.882 1.00 2.12 H new ATOM 0 HZ3 LYS A 14 -4.305 -4.237 -21.742 1.00 2.12 H new ATOM 236 N LYS A 15 -0.274 -1.795 -15.004 1.00 0.33 N ATOM 237 CA LYS A 15 -0.206 -1.210 -13.634 1.00 0.31 C ATOM 238 C LYS A 15 -0.765 0.216 -13.638 1.00 0.27 C ATOM 239 O LYS A 15 -0.844 0.849 -14.671 1.00 0.30 O ATOM 240 CB LYS A 15 1.282 -1.200 -13.282 1.00 0.44 C ATOM 241 CG LYS A 15 1.859 -2.606 -13.468 1.00 1.25 C ATOM 242 CD LYS A 15 3.387 -2.531 -13.492 1.00 1.59 C ATOM 243 CE LYS A 15 3.969 -3.721 -12.728 1.00 2.41 C ATOM 244 NZ LYS A 15 5.344 -3.295 -12.345 1.00 2.95 N ATOM 0 H LYS A 15 0.129 -1.219 -15.743 1.00 0.33 H new ATOM 0 HA LYS A 15 -0.793 -1.779 -12.913 1.00 0.31 H new ATOM 0 HB2 LYS A 15 1.812 -0.491 -13.917 1.00 0.44 H new ATOM 0 HB3 LYS A 15 1.421 -0.871 -12.252 1.00 0.44 H new ATOM 0 HG2 LYS A 15 1.529 -3.256 -12.658 1.00 1.25 H new ATOM 0 HG3 LYS A 15 1.491 -3.042 -14.397 1.00 1.25 H new ATOM 0 HD2 LYS A 15 3.746 -2.536 -14.521 1.00 1.59 H new ATOM 0 HD3 LYS A 15 3.723 -1.597 -13.042 1.00 1.59 H new ATOM 0 HE2 LYS A 15 3.369 -3.958 -11.849 1.00 2.41 H new ATOM 0 HE3 LYS A 15 3.991 -4.617 -13.349 1.00 2.41 H new ATOM 0 HZ1 LYS A 15 5.810 -4.060 -11.816 1.00 2.95 H new ATOM 0 HZ2 LYS A 15 5.893 -3.083 -13.202 1.00 2.95 H new ATOM 0 HZ3 LYS A 15 5.291 -2.444 -11.749 1.00 2.95 H new ATOM 258 N PRO A 16 -1.134 0.672 -12.471 1.00 0.25 N ATOM 259 CA PRO A 16 -1.691 2.035 -12.330 1.00 0.24 C ATOM 260 C PRO A 16 -0.585 3.084 -12.481 1.00 0.30 C ATOM 261 O PRO A 16 0.583 2.796 -12.315 1.00 0.58 O ATOM 262 CB PRO A 16 -2.258 2.047 -10.914 1.00 0.28 C ATOM 263 CG PRO A 16 -1.482 1.000 -10.176 1.00 0.31 C ATOM 264 CD PRO A 16 -1.065 -0.038 -11.190 1.00 0.28 C ATOM 0 HA PRO A 16 -2.440 2.271 -13.086 1.00 0.24 H new ATOM 0 HB2 PRO A 16 -2.140 3.026 -10.450 1.00 0.28 H new ATOM 0 HB3 PRO A 16 -3.324 1.821 -10.914 1.00 0.28 H new ATOM 0 HG2 PRO A 16 -0.609 1.437 -9.691 1.00 0.31 H new ATOM 0 HG3 PRO A 16 -2.091 0.550 -9.392 1.00 0.31 H new ATOM 0 HD2 PRO A 16 -0.059 -0.408 -10.992 1.00 0.28 H new ATOM 0 HD3 PRO A 16 -1.731 -0.901 -11.175 1.00 0.28 H new ATOM 272 N ILE A 17 -0.946 4.298 -12.796 1.00 0.21 N ATOM 273 CA ILE A 17 0.082 5.363 -12.956 1.00 0.22 C ATOM 274 C ILE A 17 -0.557 6.742 -12.791 1.00 0.22 C ATOM 275 O ILE A 17 -0.537 7.558 -13.690 1.00 0.31 O ATOM 276 CB ILE A 17 0.620 5.187 -14.376 1.00 0.26 C ATOM 277 CG1 ILE A 17 -0.544 4.953 -15.342 1.00 0.76 C ATOM 278 CG2 ILE A 17 1.565 3.984 -14.419 1.00 0.89 C ATOM 279 CD1 ILE A 17 -0.022 4.953 -16.779 1.00 0.67 C ATOM 0 H ILE A 17 -1.909 4.598 -12.949 1.00 0.21 H new ATOM 0 HA ILE A 17 0.873 5.288 -12.210 1.00 0.22 H new ATOM 0 HB ILE A 17 1.160 6.087 -14.671 1.00 0.26 H new ATOM 0 HG12 ILE A 17 -1.029 4.003 -15.120 1.00 0.76 H new ATOM 0 HG13 ILE A 17 -1.296 5.732 -15.217 1.00 0.76 H new ATOM 0 HG21 ILE A 17 1.949 3.859 -15.432 1.00 0.89 H new ATOM 0 HG22 ILE A 17 2.396 4.150 -13.734 1.00 0.89 H new ATOM 0 HG23 ILE A 17 1.024 3.086 -14.122 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -0.851 4.786 -17.467 1.00 0.67 H new ATOM 0 HD12 ILE A 17 0.443 5.914 -16.997 1.00 0.67 H new ATOM 0 HD13 ILE A 17 0.714 4.158 -16.899 1.00 0.67 H new ATOM 291 N TYR A 18 -1.122 7.010 -11.646 1.00 0.25 N ATOM 292 CA TYR A 18 -1.763 8.337 -11.423 1.00 0.27 C ATOM 293 C TYR A 18 -0.698 9.403 -11.152 1.00 0.38 C ATOM 294 O TYR A 18 0.017 9.345 -10.172 1.00 1.03 O ATOM 295 CB TYR A 18 -2.649 8.143 -10.190 1.00 0.42 C ATOM 296 CG TYR A 18 -3.933 8.915 -10.365 1.00 0.51 C ATOM 297 CD1 TYR A 18 -5.023 8.321 -11.011 1.00 1.18 C ATOM 298 CD2 TYR A 18 -4.036 10.224 -9.881 1.00 1.46 C ATOM 299 CE1 TYR A 18 -6.216 9.036 -11.173 1.00 1.26 C ATOM 300 CE2 TYR A 18 -5.228 10.939 -10.043 1.00 1.74 C ATOM 301 CZ TYR A 18 -6.318 10.345 -10.689 1.00 1.16 C ATOM 302 OH TYR A 18 -7.494 11.050 -10.849 1.00 1.53 O ATOM 0 H TYR A 18 -1.168 6.368 -10.855 1.00 0.25 H new ATOM 0 HA TYR A 18 -2.332 8.671 -12.290 1.00 0.27 H new ATOM 0 HB2 TYR A 18 -2.866 7.084 -10.048 1.00 0.42 H new ATOM 0 HB3 TYR A 18 -2.126 8.484 -9.296 1.00 0.42 H new ATOM 0 HD1 TYR A 18 -4.944 7.311 -11.385 1.00 1.18 H new ATOM 0 HD2 TYR A 18 -3.195 10.683 -9.382 1.00 1.46 H new ATOM 0 HE1 TYR A 18 -7.057 8.577 -11.671 1.00 1.26 H new ATOM 0 HE2 TYR A 18 -5.307 11.949 -9.669 1.00 1.74 H new ATOM 0 HH TYR A 18 -7.333 11.830 -11.421 1.00 1.53 H new ATOM 312 N LYS A 19 -0.588 10.378 -12.014 1.00 0.57 N ATOM 313 CA LYS A 19 0.430 11.449 -11.803 1.00 0.58 C ATOM 314 C LYS A 19 0.499 12.363 -13.029 1.00 0.45 C ATOM 315 O LYS A 19 1.427 12.302 -13.809 1.00 0.96 O ATOM 316 CB LYS A 19 1.753 10.705 -11.615 1.00 0.84 C ATOM 317 CG LYS A 19 2.366 11.086 -10.267 1.00 1.13 C ATOM 318 CD LYS A 19 3.779 10.507 -10.167 1.00 1.51 C ATOM 319 CE LYS A 19 4.192 10.420 -8.696 1.00 2.22 C ATOM 320 NZ LYS A 19 5.663 10.653 -8.696 1.00 2.69 N ATOM 0 H LYS A 19 -1.158 10.480 -12.854 1.00 0.57 H new ATOM 0 HA LYS A 19 0.192 12.082 -10.948 1.00 0.58 H new ATOM 0 HB2 LYS A 19 1.587 9.629 -11.659 1.00 0.84 H new ATOM 0 HB3 LYS A 19 2.441 10.955 -12.423 1.00 0.84 H new ATOM 0 HG2 LYS A 19 2.398 12.171 -10.163 1.00 1.13 H new ATOM 0 HG3 LYS A 19 1.747 10.706 -9.454 1.00 1.13 H new ATOM 0 HD2 LYS A 19 3.811 9.518 -10.624 1.00 1.51 H new ATOM 0 HD3 LYS A 19 4.481 11.135 -10.716 1.00 1.51 H new ATOM 0 HE2 LYS A 19 3.674 11.167 -8.095 1.00 2.22 H new ATOM 0 HE3 LYS A 19 3.946 9.446 -8.274 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 6.021 10.609 -7.721 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 6.130 9.922 -9.270 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 5.866 11.591 -9.097 1.00 2.69 H new ATOM 334 N LYS A 20 -0.477 13.212 -13.202 1.00 0.62 N ATOM 335 CA LYS A 20 -0.466 14.131 -14.376 1.00 0.60 C ATOM 336 C LYS A 20 -0.542 15.587 -13.911 1.00 1.03 C ATOM 337 O LYS A 20 -0.650 15.868 -12.734 1.00 1.82 O ATOM 338 CB LYS A 20 -1.714 13.760 -15.179 1.00 1.08 C ATOM 339 CG LYS A 20 -1.410 13.864 -16.675 1.00 1.25 C ATOM 340 CD LYS A 20 -2.617 13.371 -17.476 1.00 1.73 C ATOM 341 CE LYS A 20 -2.650 14.077 -18.834 1.00 1.97 C ATOM 342 NZ LYS A 20 -3.415 13.160 -19.723 1.00 2.65 N ATOM 0 H LYS A 20 -1.281 13.309 -12.582 1.00 0.62 H new ATOM 0 HA LYS A 20 0.445 14.034 -14.967 1.00 0.60 H new ATOM 0 HB2 LYS A 20 -2.031 12.747 -14.931 1.00 1.08 H new ATOM 0 HB3 LYS A 20 -2.538 14.424 -14.918 1.00 1.08 H new ATOM 0 HG2 LYS A 20 -1.181 14.896 -16.940 1.00 1.25 H new ATOM 0 HG3 LYS A 20 -0.530 13.270 -16.920 1.00 1.25 H new ATOM 0 HD2 LYS A 20 -2.558 12.292 -17.616 1.00 1.73 H new ATOM 0 HD3 LYS A 20 -3.537 13.571 -16.927 1.00 1.73 H new ATOM 0 HE2 LYS A 20 -3.133 15.051 -18.761 1.00 1.97 H new ATOM 0 HE3 LYS A 20 -1.643 14.248 -19.215 1.00 1.97 H new ATOM 0 HZ1 LYS A 20 -3.481 13.574 -20.675 1.00 2.65 H new ATOM 0 HZ2 LYS A 20 -2.928 12.243 -19.778 1.00 2.65 H new ATOM 0 HZ3 LYS A 20 -4.371 13.021 -19.338 1.00 2.65 H new ATOM 356 N ALA A 21 -0.486 16.517 -14.826 1.00 1.12 N ATOM 357 CA ALA A 21 -0.555 17.953 -14.433 1.00 1.70 C ATOM 358 C ALA A 21 -0.976 18.810 -15.631 1.00 1.67 C ATOM 359 O ALA A 21 -0.354 19.811 -15.929 1.00 2.07 O ATOM 360 CB ALA A 21 0.864 18.311 -13.993 1.00 2.55 C ATOM 0 H ALA A 21 -0.396 16.344 -15.827 1.00 1.12 H new ATOM 0 HA ALA A 21 -1.285 18.130 -13.643 1.00 1.70 H new ATOM 0 HB1 ALA A 21 0.897 19.357 -13.687 1.00 2.55 H new ATOM 0 HB2 ALA A 21 1.156 17.678 -13.155 1.00 2.55 H new ATOM 0 HB3 ALA A 21 1.553 18.154 -14.823 1.00 2.55 H new ATOM 366 N PRO A 22 -2.026 18.384 -16.278 1.00 0.00 N ATOM 367 CA PRO A 22 -2.542 19.118 -17.456 1.00 0.00 C ATOM 368 C PRO A 22 -3.238 20.410 -17.019 1.00 0.00 C ATOM 369 O PRO A 22 -3.716 21.175 -17.833 1.00 0.00 O ATOM 370 CB PRO A 22 -3.544 18.146 -18.074 1.00 0.00 C ATOM 371 CG PRO A 22 -3.974 17.260 -16.945 1.00 0.00 C ATOM 372 CD PRO A 22 -2.820 17.190 -15.974 1.00 0.00 C ATOM 0 HA PRO A 22 -1.757 19.415 -18.152 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.393 18.676 -18.505 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.088 17.568 -18.878 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.864 17.660 -16.458 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.231 16.266 -17.311 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.167 17.194 -14.941 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.238 16.279 -16.111 1.00 0.00 H new ATOM 380 N THR A 23 -3.297 20.658 -15.740 1.00 0.00 N ATOM 381 CA THR A 23 -3.962 21.902 -15.252 1.00 0.00 C ATOM 382 C THR A 23 -3.863 21.991 -13.726 1.00 0.00 C ATOM 383 O THR A 23 -2.910 21.532 -13.128 1.00 0.00 O ATOM 384 CB THR A 23 -5.422 21.766 -15.686 1.00 0.00 C ATOM 385 OG1 THR A 23 -6.130 22.947 -15.337 1.00 0.00 O ATOM 386 CG2 THR A 23 -6.055 20.564 -14.985 1.00 0.00 C ATOM 0 H THR A 23 -2.915 20.055 -15.011 1.00 0.00 H new ATOM 0 HA THR A 23 -3.499 22.803 -15.654 1.00 0.00 H new ATOM 0 HB THR A 23 -5.468 21.620 -16.765 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.066 22.862 -15.616 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.096 20.468 -15.295 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.511 19.658 -15.254 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.010 20.707 -13.905 1.00 0.00 H new ATOM 394 N ASN A 24 -4.841 22.578 -13.092 1.00 0.00 N ATOM 395 CA ASN A 24 -4.802 22.696 -11.605 1.00 0.00 C ATOM 396 C ASN A 24 -6.183 22.398 -11.015 1.00 0.00 C ATOM 397 O ASN A 24 -6.743 23.197 -10.291 1.00 0.00 O ATOM 398 CB ASN A 24 -4.405 24.147 -11.335 1.00 0.00 C ATOM 399 CG ASN A 24 -3.771 24.253 -9.947 1.00 0.00 C ATOM 400 OD1 ASN A 24 -2.573 24.111 -9.801 1.00 0.00 O ATOM 401 ND2 ASN A 24 -4.530 24.496 -8.913 1.00 0.00 N ATOM 0 H ASN A 24 -5.665 22.981 -13.538 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.105 21.991 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.702 24.490 -12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.281 24.792 -11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.117 24.567 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.536 24.615 -9.035 1.00 0.00 H new ATOM 408 N GLU A 25 -6.735 21.255 -11.317 1.00 0.00 N ATOM 409 CA GLU A 25 -8.078 20.908 -10.773 1.00 0.00 C ATOM 410 C GLU A 25 -8.106 19.446 -10.318 1.00 0.00 C ATOM 411 O GLU A 25 -7.334 18.629 -10.780 1.00 0.00 O ATOM 412 CB GLU A 25 -9.045 21.124 -11.937 1.00 0.00 C ATOM 413 CG GLU A 25 -10.441 21.432 -11.393 1.00 0.00 C ATOM 414 CD GLU A 25 -11.083 22.541 -12.229 1.00 0.00 C ATOM 415 OE1 GLU A 25 -11.408 22.278 -13.375 1.00 0.00 O ATOM 416 OE2 GLU A 25 -11.237 23.633 -11.709 1.00 0.00 O ATOM 0 H GLU A 25 -6.314 20.546 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.340 21.515 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.698 21.946 -12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.077 20.235 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.060 20.535 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.376 21.740 -10.350 1.00 0.00 H new ATOM 423 N PHE A 26 -8.987 19.111 -9.417 1.00 0.00 N ATOM 424 CA PHE A 26 -9.062 17.701 -8.935 1.00 0.00 C ATOM 425 C PHE A 26 -10.498 17.181 -9.041 1.00 0.00 C ATOM 426 O PHE A 26 -11.394 17.661 -8.377 1.00 0.00 O ATOM 427 CB PHE A 26 -8.622 17.761 -7.472 1.00 0.00 C ATOM 428 CG PHE A 26 -7.974 16.453 -7.087 1.00 0.00 C ATOM 429 CD1 PHE A 26 -8.680 15.253 -7.231 1.00 0.00 C ATOM 430 CD2 PHE A 26 -6.667 16.440 -6.586 1.00 0.00 C ATOM 431 CE1 PHE A 26 -8.080 14.040 -6.874 1.00 0.00 C ATOM 432 CE2 PHE A 26 -6.066 15.227 -6.230 1.00 0.00 C ATOM 433 CZ PHE A 26 -6.773 14.027 -6.373 1.00 0.00 C ATOM 0 H PHE A 26 -9.658 19.751 -8.993 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.437 17.029 -9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.922 18.583 -7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.481 17.956 -6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.688 15.263 -7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.122 17.366 -6.474 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.625 13.114 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.057 15.217 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.310 13.091 -6.097 1.00 0.00 H new ATOM 443 N TYR A 27 -10.723 16.200 -9.873 1.00 0.00 N ATOM 444 CA TYR A 27 -12.101 15.650 -10.021 1.00 0.00 C ATOM 445 C TYR A 27 -12.149 14.202 -9.526 1.00 0.00 C ATOM 446 O TYR A 27 -11.320 13.387 -9.880 1.00 0.00 O ATOM 447 CB TYR A 27 -12.392 15.713 -11.521 1.00 0.00 C ATOM 448 CG TYR A 27 -13.865 15.481 -11.758 1.00 0.00 C ATOM 449 CD1 TYR A 27 -14.381 14.180 -11.731 1.00 0.00 C ATOM 450 CD2 TYR A 27 -14.714 16.566 -12.005 1.00 0.00 C ATOM 451 CE1 TYR A 27 -15.747 13.964 -11.952 1.00 0.00 C ATOM 452 CE2 TYR A 27 -16.080 16.350 -12.224 1.00 0.00 C ATOM 453 CZ TYR A 27 -16.597 15.050 -12.199 1.00 0.00 C ATOM 454 OH TYR A 27 -17.943 14.837 -12.415 1.00 0.00 O ATOM 0 H TYR A 27 -10.013 15.756 -10.456 1.00 0.00 H new ATOM 0 HA TYR A 27 -12.834 16.209 -9.439 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.097 16.684 -11.919 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.805 14.961 -12.048 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.726 13.343 -11.540 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -14.316 17.570 -12.027 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.145 12.960 -11.932 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.735 17.188 -12.412 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.389 15.696 -12.570 1.00 0.00 H new ATOM 464 N ALA A 28 -13.114 13.875 -8.710 1.00 0.00 N ATOM 465 CA ALA A 28 -13.214 12.480 -8.194 1.00 0.00 C ATOM 466 C ALA A 28 -14.546 12.278 -7.466 1.00 0.00 C ATOM 467 O ALA A 28 -14.853 11.144 -7.136 1.00 0.00 O ATOM 468 CB ALA A 28 -12.045 12.335 -7.220 1.00 0.00 C ATOM 469 OXT ALA A 28 -15.236 13.262 -7.251 1.00 0.00 O ATOM 0 H ALA A 28 -13.837 14.513 -8.378 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.174 11.740 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.048 11.331 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.107 12.502 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.145 13.068 -6.420 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -14.677 3.428 -12.142 1.00 0.00 N ATOM 477 CA ARG B 1 -14.803 2.147 -12.896 1.00 0.00 C ATOM 478 C ARG B 1 -16.165 1.504 -12.622 1.00 0.00 C ATOM 479 O ARG B 1 -16.392 0.930 -11.575 1.00 0.00 O ATOM 480 CB ARG B 1 -13.675 1.263 -12.362 1.00 0.00 C ATOM 481 CG ARG B 1 -12.339 1.994 -12.510 1.00 0.00 C ATOM 482 CD ARG B 1 -11.191 0.989 -12.388 1.00 0.00 C ATOM 483 NE ARG B 1 -10.373 1.193 -13.616 1.00 0.00 N ATOM 484 CZ ARG B 1 -9.090 1.411 -13.516 1.00 0.00 C ATOM 485 NH1 ARG B 1 -8.421 0.918 -12.510 1.00 0.00 N ATOM 486 NH2 ARG B 1 -8.478 2.124 -14.422 1.00 0.00 N ATOM 0 H1 ARG B 1 -13.970 4.035 -12.604 1.00 0.00 H new ATOM 0 H2 ARG B 1 -15.596 3.915 -12.129 1.00 0.00 H new ATOM 0 H3 ARG B 1 -14.378 3.228 -11.166 1.00 0.00 H new ATOM 0 HA ARG B 1 -14.732 2.292 -13.974 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -13.854 1.020 -11.315 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -13.648 0.320 -12.908 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -12.293 2.499 -13.475 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -12.246 2.763 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -10.603 1.167 -11.487 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -11.565 -0.033 -12.327 1.00 0.00 H new ATOM 0 HE ARG B 1 -10.815 1.162 -14.535 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -8.901 0.362 -11.802 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -7.418 1.088 -12.432 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -9.002 2.510 -15.207 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -7.475 2.295 -14.345 1.00 0.00 H new ATOM 502 N MET B 2 -17.072 1.594 -13.556 1.00 0.00 N ATOM 503 CA MET B 2 -18.419 0.987 -13.347 1.00 0.00 C ATOM 504 C MET B 2 -18.321 -0.541 -13.377 1.00 0.00 C ATOM 505 O MET B 2 -17.360 -1.121 -12.912 1.00 0.00 O ATOM 506 CB MET B 2 -19.264 1.493 -14.517 1.00 0.00 C ATOM 507 CG MET B 2 -18.765 0.862 -15.818 1.00 0.00 C ATOM 508 SD MET B 2 -18.245 2.166 -16.960 1.00 0.00 S ATOM 509 CE MET B 2 -16.513 1.663 -17.105 1.00 0.00 C ATOM 0 H MET B 2 -16.940 2.060 -14.453 1.00 0.00 H new ATOM 0 HA MET B 2 -18.851 1.258 -12.383 1.00 0.00 H new ATOM 0 HB2 MET B 2 -20.313 1.242 -14.357 1.00 0.00 H new ATOM 0 HB3 MET B 2 -19.203 2.579 -14.581 1.00 0.00 H new ATOM 0 HG2 MET B 2 -17.932 0.190 -15.613 1.00 0.00 H new ATOM 0 HG3 MET B 2 -19.555 0.262 -16.270 1.00 0.00 H new ATOM 0 HE1 MET B 2 -16.105 2.032 -18.046 1.00 0.00 H new ATOM 0 HE2 MET B 2 -15.943 2.078 -16.274 1.00 0.00 H new ATOM 0 HE3 MET B 2 -16.447 0.575 -17.082 1.00 0.00 H new ATOM 519 N LYS B 3 -19.309 -1.198 -13.922 1.00 0.00 N ATOM 520 CA LYS B 3 -19.272 -2.687 -13.981 1.00 0.00 C ATOM 521 C LYS B 3 -17.924 -3.162 -14.532 1.00 0.00 C ATOM 522 O LYS B 3 -17.167 -2.396 -15.093 1.00 0.00 O ATOM 523 CB LYS B 3 -20.405 -3.073 -14.932 1.00 0.00 C ATOM 524 CG LYS B 3 -21.639 -3.473 -14.122 1.00 0.00 C ATOM 525 CD LYS B 3 -22.090 -4.875 -14.538 1.00 0.00 C ATOM 526 CE LYS B 3 -22.964 -4.779 -15.789 1.00 0.00 C ATOM 527 NZ LYS B 3 -24.106 -5.701 -15.532 1.00 0.00 N ATOM 0 H LYS B 3 -20.140 -0.768 -14.329 1.00 0.00 H new ATOM 0 HA LYS B 3 -19.391 -3.142 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -20.644 -2.236 -15.588 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -20.092 -3.900 -15.570 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -21.410 -3.454 -13.057 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -22.444 -2.757 -14.287 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -21.222 -5.504 -14.735 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -22.647 -5.345 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -23.310 -3.758 -15.952 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -22.411 -5.074 -16.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -24.751 -5.690 -16.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -23.747 -6.666 -15.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -24.618 -5.391 -14.681 1.00 0.00 H new ATOM 541 N LYS B 4 -17.620 -4.421 -14.376 1.00 0.00 N ATOM 542 CA LYS B 4 -16.321 -4.944 -14.890 1.00 0.00 C ATOM 543 C LYS B 4 -16.483 -6.389 -15.367 1.00 0.00 C ATOM 544 O LYS B 4 -17.551 -6.963 -15.288 1.00 0.00 O ATOM 545 CB LYS B 4 -15.368 -4.878 -13.696 1.00 0.00 C ATOM 546 CG LYS B 4 -14.542 -3.593 -13.773 1.00 0.00 C ATOM 547 CD LYS B 4 -13.348 -3.697 -12.822 1.00 0.00 C ATOM 548 CE LYS B 4 -12.452 -2.467 -12.991 1.00 0.00 C ATOM 549 NZ LYS B 4 -11.081 -2.943 -12.656 1.00 0.00 N ATOM 0 H LYS B 4 -18.214 -5.110 -13.915 1.00 0.00 H new ATOM 0 HA LYS B 4 -15.952 -4.369 -15.740 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -15.933 -4.904 -12.764 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -14.710 -5.747 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -14.195 -3.432 -14.794 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -15.159 -2.735 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -13.696 -3.768 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.781 -4.604 -13.031 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -12.498 -2.081 -14.009 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -12.762 -1.658 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.408 -2.156 -12.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.066 -3.298 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.810 -3.708 -13.307 1.00 0.00 H new ATOM 563 N LYS B 5 -15.432 -6.983 -15.863 1.00 0.00 N ATOM 564 CA LYS B 5 -15.526 -8.391 -16.344 1.00 0.00 C ATOM 565 C LYS B 5 -14.127 -8.998 -16.487 1.00 0.00 C ATOM 566 O LYS B 5 -13.480 -8.853 -17.504 1.00 0.00 O ATOM 567 CB LYS B 5 -16.212 -8.296 -17.708 1.00 0.00 C ATOM 568 CG LYS B 5 -16.795 -9.660 -18.082 1.00 0.00 C ATOM 569 CD LYS B 5 -18.320 -9.612 -17.967 1.00 0.00 C ATOM 570 CE LYS B 5 -18.923 -10.834 -18.662 1.00 0.00 C ATOM 571 NZ LYS B 5 -20.381 -10.542 -18.755 1.00 0.00 N ATOM 0 H LYS B 5 -14.511 -6.554 -15.956 1.00 0.00 H new ATOM 0 HA LYS B 5 -16.077 -9.028 -15.652 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -17.003 -7.547 -17.678 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.497 -7.974 -18.465 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.505 -9.925 -19.099 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -16.394 -10.431 -17.424 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -18.616 -9.594 -16.918 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -18.701 -8.697 -18.421 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -18.486 -10.982 -19.650 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -18.738 -11.744 -18.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -20.865 -11.336 -19.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -20.771 -10.412 -17.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -20.527 -9.674 -19.309 1.00 0.00 H new ATOM 585 N ASP B 6 -13.659 -9.675 -15.475 1.00 0.00 N ATOM 586 CA ASP B 6 -12.303 -10.291 -15.554 1.00 0.00 C ATOM 587 C ASP B 6 -12.356 -11.752 -15.102 1.00 0.00 C ATOM 588 O ASP B 6 -11.599 -12.178 -14.253 1.00 0.00 O ATOM 589 CB ASP B 6 -11.439 -9.466 -14.598 1.00 0.00 C ATOM 590 CG ASP B 6 -12.096 -9.432 -13.218 1.00 0.00 C ATOM 591 OD1 ASP B 6 -12.507 -10.483 -12.753 1.00 0.00 O ATOM 592 OD2 ASP B 6 -12.178 -8.356 -12.648 1.00 0.00 O ATOM 0 H ASP B 6 -14.156 -9.829 -14.597 1.00 0.00 H new ATOM 0 HA ASP B 6 -11.907 -10.288 -16.570 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -10.441 -9.899 -14.527 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.320 -8.452 -14.981 1.00 0.00 H new ATOM 597 N GLU B 7 -13.246 -12.524 -15.664 1.00 0.00 N ATOM 598 CA GLU B 7 -13.347 -13.958 -15.267 1.00 0.00 C ATOM 599 C GLU B 7 -12.344 -14.800 -16.059 1.00 0.00 C ATOM 600 O GLU B 7 -12.388 -16.014 -16.045 1.00 0.00 O ATOM 601 CB GLU B 7 -14.780 -14.364 -15.615 1.00 0.00 C ATOM 602 CG GLU B 7 -15.317 -15.310 -14.540 1.00 0.00 C ATOM 603 CD GLU B 7 -16.769 -15.673 -14.860 1.00 0.00 C ATOM 604 OE1 GLU B 7 -17.001 -16.216 -15.928 1.00 0.00 O ATOM 605 OE2 GLU B 7 -17.622 -15.405 -14.032 1.00 0.00 O ATOM 0 H GLU B 7 -13.907 -12.224 -16.380 1.00 0.00 H new ATOM 0 HA GLU B 7 -13.124 -14.110 -14.211 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.413 -13.479 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.805 -14.852 -16.589 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -14.707 -16.212 -14.496 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -15.257 -14.836 -13.560 1.00 0.00 H new ATOM 612 N GLY B 8 -11.438 -14.164 -16.753 1.00 0.00 N ATOM 613 CA GLY B 8 -10.434 -14.929 -17.545 1.00 0.00 C ATOM 614 C GLY B 8 -9.043 -14.720 -16.944 1.00 0.00 C ATOM 615 O GLY B 8 -8.375 -13.744 -17.227 1.00 0.00 O ATOM 0 H GLY B 8 -11.351 -13.149 -16.805 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -10.686 -15.989 -17.545 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -10.446 -14.599 -18.584 1.00 0.00 H new ATOM 619 N SER B 9 -8.600 -15.627 -16.117 1.00 0.00 N ATOM 620 CA SER B 9 -7.251 -15.478 -15.500 1.00 0.00 C ATOM 621 C SER B 9 -6.159 -15.764 -16.535 1.00 0.00 C ATOM 622 O SER B 9 -6.174 -16.780 -17.201 1.00 0.00 O ATOM 623 CB SER B 9 -7.212 -16.517 -14.380 1.00 0.00 C ATOM 624 OG SER B 9 -7.189 -17.820 -14.948 1.00 0.00 O ATOM 0 H SER B 9 -9.113 -16.464 -15.842 1.00 0.00 H new ATOM 0 HA SER B 9 -7.077 -14.469 -15.127 1.00 0.00 H new ATOM 0 HB2 SER B 9 -6.331 -16.364 -13.757 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.083 -16.405 -13.734 1.00 0.00 H new ATOM 0 HG SER B 9 -7.068 -17.752 -15.918 1.00 0.00 H new ATOM 630 N TYR B 10 -5.213 -14.877 -16.674 1.00 0.00 N ATOM 631 CA TYR B 10 -4.122 -15.099 -17.666 1.00 0.00 C ATOM 632 C TYR B 10 -2.902 -14.244 -17.312 1.00 0.00 C ATOM 633 O TYR B 10 -1.938 -14.725 -16.751 1.00 0.00 O ATOM 634 CB TYR B 10 -4.712 -14.660 -19.007 1.00 0.00 C ATOM 635 CG TYR B 10 -5.592 -15.757 -19.554 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.038 -16.998 -19.890 1.00 0.00 C ATOM 637 CD2 TYR B 10 -6.964 -15.534 -19.723 1.00 0.00 C ATOM 638 CE1 TYR B 10 -5.855 -18.016 -20.397 1.00 0.00 C ATOM 639 CE2 TYR B 10 -7.781 -16.553 -20.230 1.00 0.00 C ATOM 640 CZ TYR B 10 -7.226 -17.793 -20.567 1.00 0.00 C ATOM 641 OH TYR B 10 -8.032 -18.796 -21.067 1.00 0.00 O ATOM 0 H TYR B 10 -5.148 -14.008 -16.144 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.787 -16.136 -17.686 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -5.290 -13.745 -18.880 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -3.912 -14.436 -19.712 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.980 -17.170 -19.758 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -7.392 -14.577 -19.463 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.427 -18.973 -20.657 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -8.839 -16.382 -20.361 1.00 0.00 H new ATOM 0 HH TYR B 10 -8.957 -18.476 -21.121 1.00 0.00 H new ATOM 651 N ASP B 11 -2.935 -12.981 -17.637 1.00 0.00 N ATOM 652 CA ASP B 11 -1.777 -12.098 -17.318 1.00 0.00 C ATOM 653 C ASP B 11 -2.228 -10.635 -17.253 1.00 0.00 C ATOM 654 O ASP B 11 -1.725 -9.790 -17.966 1.00 0.00 O ATOM 655 CB ASP B 11 -0.794 -12.306 -18.471 1.00 0.00 C ATOM 656 CG ASP B 11 0.542 -11.643 -18.127 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.099 -11.980 -17.096 1.00 0.00 O ATOM 658 OD2 ASP B 11 0.984 -10.811 -18.903 1.00 0.00 O ATOM 0 H ASP B 11 -3.714 -12.522 -18.110 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.330 -12.334 -16.352 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.648 -13.371 -18.651 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -1.198 -11.880 -19.389 1.00 0.00 H new ATOM 663 N LEU B 12 -3.171 -10.333 -16.404 1.00 1.28 N ATOM 664 CA LEU B 12 -3.652 -8.926 -16.295 1.00 0.73 C ATOM 665 C LEU B 12 -4.543 -8.765 -15.060 1.00 0.88 C ATOM 666 O LEU B 12 -5.298 -9.649 -14.708 1.00 1.65 O ATOM 667 CB LEU B 12 -4.458 -8.685 -17.572 1.00 0.68 C ATOM 668 CG LEU B 12 -5.304 -7.422 -17.410 1.00 1.33 C ATOM 669 CD1 LEU B 12 -5.562 -6.800 -18.784 1.00 2.03 C ATOM 670 CD2 LEU B 12 -6.640 -7.785 -16.757 1.00 2.20 C ATOM 0 H LEU B 12 -3.629 -10.998 -15.781 1.00 1.28 H new ATOM 0 HA LEU B 12 -2.832 -8.216 -16.189 1.00 0.73 H new ATOM 0 HB2 LEU B 12 -3.786 -8.579 -18.424 1.00 0.68 H new ATOM 0 HB3 LEU B 12 -5.100 -9.542 -17.777 1.00 0.68 H new ATOM 0 HG LEU B 12 -4.773 -6.707 -16.782 1.00 1.33 H new ATOM 0 HD11 LEU B 12 -6.165 -5.900 -18.668 1.00 2.03 H new ATOM 0 HD12 LEU B 12 -4.611 -6.542 -19.251 1.00 2.03 H new ATOM 0 HD13 LEU B 12 -6.093 -7.514 -19.413 1.00 2.03 H new ATOM 0 HD21 LEU B 12 -7.244 -6.885 -16.641 1.00 2.20 H new ATOM 0 HD22 LEU B 12 -7.170 -8.500 -17.386 1.00 2.20 H new ATOM 0 HD23 LEU B 12 -6.458 -8.229 -15.778 1.00 2.20 H new ATOM 682 N GLY B 13 -4.461 -7.643 -14.400 1.00 0.90 N ATOM 683 CA GLY B 13 -5.303 -7.425 -13.189 1.00 1.03 C ATOM 684 C GLY B 13 -5.361 -5.931 -12.868 1.00 0.67 C ATOM 685 O GLY B 13 -6.421 -5.369 -12.675 1.00 0.74 O ATOM 0 H GLY B 13 -3.847 -6.867 -14.647 1.00 0.90 H new ATOM 0 HA2 GLY B 13 -6.308 -7.810 -13.358 1.00 1.03 H new ATOM 0 HA3 GLY B 13 -4.890 -7.974 -12.343 1.00 1.03 H new ATOM 689 N LYS B 14 -4.230 -5.283 -12.811 1.00 0.51 N ATOM 690 CA LYS B 14 -4.222 -3.824 -12.502 1.00 0.38 C ATOM 691 C LYS B 14 -4.223 -3.009 -13.798 1.00 0.34 C ATOM 692 O LYS B 14 -3.792 -3.472 -14.835 1.00 0.53 O ATOM 693 CB LYS B 14 -2.926 -3.592 -11.726 1.00 0.74 C ATOM 694 CG LYS B 14 -3.167 -3.859 -10.238 1.00 1.16 C ATOM 695 CD LYS B 14 -1.887 -4.407 -9.604 1.00 1.23 C ATOM 696 CE LYS B 14 -1.795 -3.935 -8.151 1.00 1.52 C ATOM 697 NZ LYS B 14 -1.700 -5.185 -7.348 1.00 2.12 N ATOM 0 H LYS B 14 -3.312 -5.700 -12.965 1.00 0.51 H new ATOM 0 HA LYS B 14 -5.100 -3.517 -11.933 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -2.142 -4.249 -12.102 1.00 0.74 H new ATOM 0 HB3 LYS B 14 -2.581 -2.568 -11.871 1.00 0.74 H new ATOM 0 HG2 LYS B 14 -3.469 -2.939 -9.737 1.00 1.16 H new ATOM 0 HG3 LYS B 14 -3.982 -4.572 -10.113 1.00 1.16 H new ATOM 0 HD2 LYS B 14 -1.886 -5.496 -9.645 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -1.016 -4.066 -10.164 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -0.923 -3.299 -7.997 1.00 1.52 H new ATOM 0 HE3 LYS B 14 -2.670 -3.350 -7.869 1.00 1.52 H new ATOM 0 HZ1 LYS B 14 -1.634 -4.945 -6.338 1.00 2.12 H new ATOM 0 HZ2 LYS B 14 -2.546 -5.767 -7.510 1.00 2.12 H new ATOM 0 HZ3 LYS B 14 -0.854 -5.718 -7.634 1.00 2.12 H new ATOM 711 N LYS B 15 -4.706 -1.798 -13.747 1.00 0.33 N ATOM 712 CA LYS B 15 -4.735 -0.954 -14.978 1.00 0.31 C ATOM 713 C LYS B 15 -4.100 0.411 -14.699 1.00 0.27 C ATOM 714 O LYS B 15 -3.993 0.827 -13.563 1.00 0.29 O ATOM 715 CB LYS B 15 -6.219 -0.796 -15.313 1.00 0.44 C ATOM 716 CG LYS B 15 -6.872 -2.177 -15.402 1.00 1.26 C ATOM 717 CD LYS B 15 -8.394 -2.026 -15.355 1.00 1.61 C ATOM 718 CE LYS B 15 -9.036 -3.012 -16.333 1.00 2.46 C ATOM 719 NZ LYS B 15 -10.382 -2.446 -16.620 1.00 3.00 N ATOM 0 H LYS B 15 -5.082 -1.356 -12.908 1.00 0.33 H new ATOM 0 HA LYS B 15 -4.176 -1.402 -15.800 1.00 0.31 H new ATOM 0 HB2 LYS B 15 -6.714 -0.197 -14.548 1.00 0.44 H new ATOM 0 HB3 LYS B 15 -6.335 -0.266 -16.258 1.00 0.44 H new ATOM 0 HG2 LYS B 15 -6.574 -2.673 -16.325 1.00 1.26 H new ATOM 0 HG3 LYS B 15 -6.533 -2.805 -14.578 1.00 1.26 H new ATOM 0 HD2 LYS B 15 -8.757 -2.212 -14.344 1.00 1.61 H new ATOM 0 HD3 LYS B 15 -8.677 -1.005 -15.613 1.00 1.61 H new ATOM 0 HE2 LYS B 15 -8.445 -3.106 -17.244 1.00 2.46 H new ATOM 0 HE3 LYS B 15 -9.111 -4.008 -15.897 1.00 2.46 H new ATOM 0 HZ1 LYS B 15 -10.885 -3.067 -17.285 1.00 3.00 H new ATOM 0 HZ2 LYS B 15 -10.924 -2.374 -15.735 1.00 3.00 H new ATOM 0 HZ3 LYS B 15 -10.279 -1.500 -17.040 1.00 3.00 H new ATOM 733 N PRO B 16 -3.701 1.064 -15.756 1.00 0.25 N ATOM 734 CA PRO B 16 -3.069 2.397 -15.633 1.00 0.24 C ATOM 735 C PRO B 16 -4.117 3.455 -15.274 1.00 0.30 C ATOM 736 O PRO B 16 -5.299 3.270 -15.488 1.00 0.58 O ATOM 737 CB PRO B 16 -2.494 2.654 -17.021 1.00 0.28 C ATOM 738 CG PRO B 16 -3.321 1.813 -17.945 1.00 0.31 C ATOM 739 CD PRO B 16 -3.800 0.622 -17.150 1.00 0.28 C ATOM 0 HA PRO B 16 -2.312 2.439 -14.850 1.00 0.24 H new ATOM 0 HB2 PRO B 16 -2.557 3.710 -17.285 1.00 0.28 H new ATOM 0 HB3 PRO B 16 -1.441 2.376 -17.070 1.00 0.28 H new ATOM 0 HG2 PRO B 16 -4.166 2.383 -18.333 1.00 0.31 H new ATOM 0 HG3 PRO B 16 -2.732 1.491 -18.804 1.00 0.31 H new ATOM 0 HD2 PRO B 16 -4.823 0.353 -17.412 1.00 0.28 H new ATOM 0 HD3 PRO B 16 -3.182 -0.256 -17.335 1.00 0.28 H new ATOM 747 N ILE B 17 -3.694 4.563 -14.731 1.00 0.22 N ATOM 748 CA ILE B 17 -4.663 5.631 -14.361 1.00 0.22 C ATOM 749 C ILE B 17 -3.950 6.980 -14.259 1.00 0.22 C ATOM 750 O ILE B 17 -3.930 7.604 -13.219 1.00 0.31 O ATOM 751 CB ILE B 17 -5.218 5.211 -13.000 1.00 0.26 C ATOM 752 CG1 ILE B 17 -4.073 4.732 -12.104 1.00 0.77 C ATOM 753 CG2 ILE B 17 -6.227 4.077 -13.188 1.00 0.89 C ATOM 754 CD1 ILE B 17 -4.603 4.479 -10.691 1.00 0.68 C ATOM 0 H ILE B 17 -2.717 4.775 -14.527 1.00 0.22 H new ATOM 0 HA ILE B 17 -5.453 5.746 -15.103 1.00 0.22 H new ATOM 0 HB ILE B 17 -5.711 6.063 -12.532 1.00 0.26 H new ATOM 0 HG12 ILE B 17 -3.637 3.819 -12.509 1.00 0.77 H new ATOM 0 HG13 ILE B 17 -3.280 5.479 -12.078 1.00 0.77 H new ATOM 0 HG21 ILE B 17 -6.623 3.777 -12.218 1.00 0.89 H new ATOM 0 HG22 ILE B 17 -7.044 4.419 -13.823 1.00 0.89 H new ATOM 0 HG23 ILE B 17 -5.734 3.226 -13.657 1.00 0.89 H new ATOM 0 HD11 ILE B 17 -3.788 4.138 -10.052 1.00 0.68 H new ATOM 0 HD12 ILE B 17 -5.018 5.402 -10.287 1.00 0.68 H new ATOM 0 HD13 ILE B 17 -5.381 3.716 -10.725 1.00 0.68 H new ATOM 766 N TYR B 18 -3.364 7.433 -15.332 1.00 0.25 N ATOM 767 CA TYR B 18 -2.651 8.742 -15.296 1.00 0.28 C ATOM 768 C TYR B 18 -3.656 9.897 -15.349 1.00 0.38 C ATOM 769 O TYR B 18 -4.367 10.069 -16.318 1.00 1.04 O ATOM 770 CB TYR B 18 -1.770 8.743 -16.548 1.00 0.43 C ATOM 771 CG TYR B 18 -0.447 9.396 -16.232 1.00 0.51 C ATOM 772 CD1 TYR B 18 0.606 8.630 -15.720 1.00 1.18 C ATOM 773 CD2 TYR B 18 -0.272 10.767 -16.453 1.00 1.45 C ATOM 774 CE1 TYR B 18 1.835 9.234 -15.428 1.00 1.25 C ATOM 775 CE2 TYR B 18 0.957 11.372 -16.163 1.00 1.73 C ATOM 776 CZ TYR B 18 2.010 10.604 -15.649 1.00 1.15 C ATOM 777 OH TYR B 18 3.221 11.200 -15.362 1.00 1.51 O ATOM 0 H TYR B 18 -3.347 6.954 -16.232 1.00 0.25 H new ATOM 0 HA TYR B 18 -2.069 8.870 -14.383 1.00 0.28 H new ATOM 0 HB2 TYR B 18 -1.610 7.722 -16.894 1.00 0.43 H new ATOM 0 HB3 TYR B 18 -2.268 9.279 -17.356 1.00 0.43 H new ATOM 0 HD1 TYR B 18 0.471 7.572 -15.550 1.00 1.18 H new ATOM 0 HD2 TYR B 18 -1.085 11.358 -16.847 1.00 1.45 H new ATOM 0 HE1 TYR B 18 2.647 8.642 -15.032 1.00 1.25 H new ATOM 0 HE2 TYR B 18 1.093 12.429 -16.335 1.00 1.73 H new ATOM 0 HH TYR B 18 3.109 11.827 -14.617 1.00 1.51 H new ATOM 787 N LYS B 19 -3.717 10.690 -14.314 1.00 0.57 N ATOM 788 CA LYS B 19 -4.675 11.834 -14.307 1.00 0.57 C ATOM 789 C LYS B 19 -4.701 12.495 -12.926 1.00 0.45 C ATOM 790 O LYS B 19 -5.635 12.333 -12.168 1.00 0.95 O ATOM 791 CB LYS B 19 -6.036 11.214 -14.629 1.00 0.83 C ATOM 792 CG LYS B 19 -6.619 11.882 -15.876 1.00 1.11 C ATOM 793 CD LYS B 19 -8.061 11.411 -16.080 1.00 1.48 C ATOM 794 CE LYS B 19 -8.470 11.635 -17.537 1.00 2.18 C ATOM 795 NZ LYS B 19 -9.926 11.943 -17.484 1.00 2.65 N ATOM 0 H LYS B 19 -3.146 10.596 -13.474 1.00 0.57 H new ATOM 0 HA LYS B 19 -4.399 12.607 -15.024 1.00 0.57 H new ATOM 0 HB2 LYS B 19 -5.929 10.142 -14.794 1.00 0.83 H new ATOM 0 HB3 LYS B 19 -6.714 11.341 -13.785 1.00 0.83 H new ATOM 0 HG2 LYS B 19 -6.591 12.966 -15.768 1.00 1.11 H new ATOM 0 HG3 LYS B 19 -6.017 11.634 -16.750 1.00 1.11 H new ATOM 0 HD2 LYS B 19 -8.149 10.355 -15.825 1.00 1.48 H new ATOM 0 HD3 LYS B 19 -8.731 11.957 -15.415 1.00 1.48 H new ATOM 0 HE2 LYS B 19 -7.909 12.456 -17.983 1.00 2.18 H new ATOM 0 HE3 LYS B 19 -8.275 10.750 -18.142 1.00 2.18 H new ATOM 0 HZ1 LYS B 19 -10.281 12.109 -18.447 1.00 2.65 H new ATOM 0 HZ2 LYS B 19 -10.435 11.141 -17.061 1.00 2.65 H new ATOM 0 HZ3 LYS B 19 -10.080 12.794 -16.907 1.00 2.65 H new ATOM 809 N LYS B 20 -3.682 13.240 -12.596 1.00 0.62 N ATOM 810 CA LYS B 20 -3.648 13.912 -11.266 1.00 0.59 C ATOM 811 C LYS B 20 -3.491 15.425 -11.440 1.00 1.03 C ATOM 812 O LYS B 20 -3.362 15.923 -12.540 1.00 1.82 O ATOM 813 CB LYS B 20 -2.428 13.325 -10.558 1.00 1.07 C ATOM 814 CG LYS B 20 -2.734 13.152 -9.068 1.00 1.22 C ATOM 815 CD LYS B 20 -1.560 12.450 -8.384 1.00 1.70 C ATOM 816 CE LYS B 20 -1.498 12.874 -6.915 1.00 1.92 C ATOM 817 NZ LYS B 20 -0.789 11.762 -6.224 1.00 2.61 N ATOM 0 H LYS B 20 -2.871 13.413 -13.190 1.00 0.62 H new ATOM 0 HA LYS B 20 -4.565 13.752 -10.699 1.00 0.59 H new ATOM 0 HB2 LYS B 20 -2.166 12.364 -11.000 1.00 1.07 H new ATOM 0 HB3 LYS B 20 -1.568 13.981 -10.689 1.00 1.07 H new ATOM 0 HG2 LYS B 20 -2.909 14.124 -8.607 1.00 1.22 H new ATOM 0 HG3 LYS B 20 -3.646 12.569 -8.938 1.00 1.22 H new ATOM 0 HD2 LYS B 20 -1.676 11.369 -8.457 1.00 1.70 H new ATOM 0 HD3 LYS B 20 -0.627 12.705 -8.887 1.00 1.70 H new ATOM 0 HE2 LYS B 20 -0.963 13.816 -6.798 1.00 1.92 H new ATOM 0 HE3 LYS B 20 -2.497 13.021 -6.504 1.00 1.92 H new ATOM 0 HZ1 LYS B 20 -0.707 11.979 -5.210 1.00 2.61 H new ATOM 0 HZ2 LYS B 20 -1.325 10.879 -6.347 1.00 2.61 H new ATOM 0 HZ3 LYS B 20 0.161 11.650 -6.632 1.00 2.61 H new ATOM 831 N ALA B 21 -3.503 16.160 -10.362 1.00 1.12 N ATOM 832 CA ALA B 21 -3.354 17.640 -10.467 1.00 1.71 C ATOM 833 C ALA B 21 -2.894 18.224 -9.128 1.00 1.67 C ATOM 834 O ALA B 21 -3.462 19.179 -8.638 1.00 2.08 O ATOM 835 CB ALA B 21 -4.750 18.152 -10.822 1.00 2.57 C ATOM 0 H ALA B 21 -3.609 15.800 -9.413 1.00 1.12 H new ATOM 0 HA ALA B 21 -2.611 17.928 -11.210 1.00 1.71 H new ATOM 0 HB1 ALA B 21 -4.726 19.238 -10.918 1.00 2.57 H new ATOM 0 HB2 ALA B 21 -5.070 17.711 -11.766 1.00 2.57 H new ATOM 0 HB3 ALA B 21 -5.451 17.873 -10.035 1.00 2.57 H new ATOM 841 N PRO B 22 -1.872 17.623 -8.581 1.00 0.00 N ATOM 842 CA PRO B 22 -1.324 18.084 -7.285 1.00 0.00 C ATOM 843 C PRO B 22 -0.557 19.398 -7.466 1.00 0.00 C ATOM 844 O PRO B 22 -0.043 19.962 -6.521 1.00 0.00 O ATOM 845 CB PRO B 22 -0.380 16.959 -6.874 1.00 0.00 C ATOM 846 CG PRO B 22 0.007 16.288 -8.155 1.00 0.00 C ATOM 847 CD PRO B 22 -1.143 16.469 -9.116 1.00 0.00 C ATOM 0 HA PRO B 22 -2.095 18.281 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO B 22 0.495 17.349 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -0.870 16.261 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO B 22 0.919 16.727 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO B 22 0.208 15.230 -7.990 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -0.790 16.655 -10.130 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -1.774 15.581 -9.155 1.00 0.00 H new ATOM 855 N THR B 23 -0.477 19.887 -8.673 1.00 0.00 N ATOM 856 CA THR B 23 0.256 21.163 -8.914 1.00 0.00 C ATOM 857 C THR B 23 0.172 21.552 -10.392 1.00 0.00 C ATOM 858 O THR B 23 -0.801 21.271 -11.063 1.00 0.00 O ATOM 859 CB THR B 23 1.704 20.866 -8.520 1.00 0.00 C ATOM 860 OG1 THR B 23 2.478 22.053 -8.637 1.00 0.00 O ATOM 861 CG2 THR B 23 2.276 19.791 -9.445 1.00 0.00 C ATOM 0 H THR B 23 -0.887 19.459 -9.503 1.00 0.00 H new ATOM 0 HA THR B 23 -0.161 21.993 -8.344 1.00 0.00 H new ATOM 0 HB THR B 23 1.735 20.511 -7.490 1.00 0.00 H new ATOM 0 HG1 THR B 23 3.406 21.865 -8.383 1.00 0.00 H new ATOM 0 HG21 THR B 23 3.308 19.580 -9.163 1.00 0.00 H new ATOM 0 HG22 THR B 23 1.682 18.881 -9.356 1.00 0.00 H new ATOM 0 HG23 THR B 23 2.246 20.144 -10.476 1.00 0.00 H new ATOM 869 N ASN B 24 1.184 22.198 -10.904 1.00 0.00 N ATOM 870 CA ASN B 24 1.160 22.604 -12.339 1.00 0.00 C ATOM 871 C ASN B 24 2.525 22.353 -12.983 1.00 0.00 C ATOM 872 O ASN B 24 3.133 23.246 -13.541 1.00 0.00 O ATOM 873 CB ASN B 24 0.843 24.100 -12.320 1.00 0.00 C ATOM 874 CG ASN B 24 0.224 24.507 -13.658 1.00 0.00 C ATOM 875 OD1 ASN B 24 -0.979 24.463 -13.823 1.00 0.00 O ATOM 876 ND2 ASN B 24 1.001 24.906 -14.628 1.00 0.00 N ATOM 0 H ASN B 24 2.026 22.462 -10.392 1.00 0.00 H new ATOM 0 HA ASN B 24 0.429 22.039 -12.917 1.00 0.00 H new ATOM 0 HB2 ASN B 24 0.155 24.327 -11.505 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.752 24.673 -12.138 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.598 25.181 -15.524 1.00 0.00 H new ATOM 0 HD22 ASN B 24 2.011 24.943 -14.490 1.00 0.00 H new ATOM 883 N GLU B 25 3.013 21.145 -12.911 1.00 0.00 N ATOM 884 CA GLU B 25 4.339 20.838 -13.520 1.00 0.00 C ATOM 885 C GLU B 25 4.289 19.493 -14.250 1.00 0.00 C ATOM 886 O GLU B 25 3.472 18.644 -13.953 1.00 0.00 O ATOM 887 CB GLU B 25 5.309 20.770 -12.340 1.00 0.00 C ATOM 888 CG GLU B 25 6.723 21.102 -12.822 1.00 0.00 C ATOM 889 CD GLU B 25 7.418 21.990 -11.789 1.00 0.00 C ATOM 890 OE1 GLU B 25 7.723 21.493 -10.717 1.00 0.00 O ATOM 891 OE2 GLU B 25 7.635 23.154 -12.087 1.00 0.00 O ATOM 0 H GLU B 25 2.551 20.357 -12.457 1.00 0.00 H new ATOM 0 HA GLU B 25 4.639 21.586 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU B 25 5.004 21.472 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU B 25 5.289 19.775 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU B 25 7.293 20.185 -12.971 1.00 0.00 H new ATOM 0 HG3 GLU B 25 6.680 21.611 -13.785 1.00 0.00 H new ATOM 898 N PHE B 26 5.158 19.292 -15.204 1.00 0.00 N ATOM 899 CA PHE B 26 5.158 18.002 -15.951 1.00 0.00 C ATOM 900 C PHE B 26 6.564 17.393 -15.955 1.00 0.00 C ATOM 901 O PHE B 26 7.488 17.945 -16.519 1.00 0.00 O ATOM 902 CB PHE B 26 4.730 18.368 -17.372 1.00 0.00 C ATOM 903 CG PHE B 26 4.014 17.197 -18.001 1.00 0.00 C ATOM 904 CD1 PHE B 26 4.655 15.955 -18.096 1.00 0.00 C ATOM 905 CD2 PHE B 26 2.712 17.352 -18.488 1.00 0.00 C ATOM 906 CE1 PHE B 26 3.992 14.870 -18.680 1.00 0.00 C ATOM 907 CE2 PHE B 26 2.048 16.266 -19.071 1.00 0.00 C ATOM 908 CZ PHE B 26 2.688 15.025 -19.167 1.00 0.00 C ATOM 0 H PHE B 26 5.867 19.964 -15.498 1.00 0.00 H new ATOM 0 HA PHE B 26 4.493 17.264 -15.501 1.00 0.00 H new ATOM 0 HB2 PHE B 26 4.076 19.240 -17.353 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.602 18.637 -17.968 1.00 0.00 H new ATOM 0 HD1 PHE B 26 5.660 15.835 -17.719 1.00 0.00 H new ATOM 0 HD2 PHE B 26 2.219 18.310 -18.414 1.00 0.00 H new ATOM 0 HE1 PHE B 26 4.486 13.913 -18.755 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.042 16.386 -19.446 1.00 0.00 H new ATOM 0 HZ PHE B 26 2.176 14.187 -19.617 1.00 0.00 H new ATOM 918 N TYR B 27 6.730 16.259 -15.331 1.00 0.00 N ATOM 919 CA TYR B 27 8.076 15.616 -15.300 1.00 0.00 C ATOM 920 C TYR B 27 8.047 14.291 -16.067 1.00 0.00 C ATOM 921 O TYR B 27 7.174 13.470 -15.874 1.00 0.00 O ATOM 922 CB TYR B 27 8.361 15.370 -13.818 1.00 0.00 C ATOM 923 CG TYR B 27 9.818 15.017 -13.638 1.00 0.00 C ATOM 924 CD1 TYR B 27 10.263 13.720 -13.919 1.00 0.00 C ATOM 925 CD2 TYR B 27 10.722 15.986 -13.189 1.00 0.00 C ATOM 926 CE1 TYR B 27 11.614 13.392 -13.751 1.00 0.00 C ATOM 927 CE2 TYR B 27 12.074 15.658 -13.021 1.00 0.00 C ATOM 928 CZ TYR B 27 12.519 14.361 -13.303 1.00 0.00 C ATOM 929 OH TYR B 27 13.850 14.038 -13.138 1.00 0.00 O ATOM 0 H TYR B 27 5.994 15.750 -14.842 1.00 0.00 H new ATOM 0 HA TYR B 27 8.842 16.236 -15.766 1.00 0.00 H new ATOM 0 HB2 TYR B 27 8.117 16.259 -13.237 1.00 0.00 H new ATOM 0 HB3 TYR B 27 7.731 14.562 -13.445 1.00 0.00 H new ATOM 0 HD1 TYR B 27 9.565 12.972 -14.265 1.00 0.00 H new ATOM 0 HD2 TYR B 27 10.378 16.986 -12.972 1.00 0.00 H new ATOM 0 HE1 TYR B 27 11.958 12.391 -13.967 1.00 0.00 H new ATOM 0 HE2 TYR B 27 12.772 16.405 -12.674 1.00 0.00 H new ATOM 0 HH TYR B 27 14.341 14.825 -12.822 1.00 0.00 H new ATOM 939 N ALA B 28 8.998 14.078 -16.935 1.00 0.00 N ATOM 940 CA ALA B 28 9.026 12.806 -17.715 1.00 0.00 C ATOM 941 C ALA B 28 10.349 12.678 -18.474 1.00 0.00 C ATOM 942 O ALA B 28 10.595 11.616 -19.020 1.00 0.00 O ATOM 943 CB ALA B 28 7.856 12.917 -18.692 1.00 0.00 C ATOM 944 OXT ALA B 28 11.092 13.645 -18.496 1.00 0.00 O ATOM 0 H ALA B 28 9.757 14.729 -17.138 1.00 0.00 H new ATOM 0 HA ALA B 28 8.942 11.927 -17.075 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.807 12.017 -19.305 1.00 0.00 H new ATOM 0 HB2 ALA B 28 6.926 13.027 -18.135 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.999 13.786 -19.334 1.00 0.00 H new TER 950 ALA B 28