USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=18 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+ -143:sc= 0.0145 (180deg=-0.743) USER MOD Single : A 2 MET CE :methyl 140:sc= -7.64! (180deg=-11.7!) 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+ -122:sc= 0 (180deg=-0.055) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0174) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 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 USER MOD Single : A 24 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.12) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -149:sc= 0.00527 (180deg=-0.766) USER MOD Single : B 2 MET CE :methyl 148:sc= -7.55! (180deg=-11.9!) 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+ -112:sc= 0 (180deg=-0.0618) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0148) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 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 USER MOD Single : B 24 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.13) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -3.830 -35.445 -0.215 1.00 0.00 N ATOM 2 CA ARG A 1 -2.981 -34.415 -0.883 1.00 0.00 C ATOM 3 C ARG A 1 -3.753 -33.758 -2.031 1.00 0.00 C ATOM 4 O ARG A 1 -4.948 -33.557 -1.952 1.00 0.00 O ATOM 5 CB ARG A 1 -1.774 -35.186 -1.420 1.00 0.00 C ATOM 6 CG ARG A 1 -1.104 -35.949 -0.275 1.00 0.00 C ATOM 7 CD ARG A 1 0.411 -35.963 -0.490 1.00 0.00 C ATOM 8 NE ARG A 1 0.979 -35.363 0.749 1.00 0.00 N ATOM 9 CZ ARG A 1 2.070 -34.650 0.688 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.236 -35.235 0.748 1.00 0.00 N ATOM 11 NH2 ARG A 1 1.997 -33.353 0.566 1.00 0.00 N ATOM 0 H1 ARG A 1 -3.648 -35.434 0.809 1.00 0.00 H new ATOM 0 H2 ARG A 1 -4.833 -35.235 -0.391 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.601 -36.385 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 1 -2.685 -33.617 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -2.090 -35.881 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -1.063 -34.497 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -1.342 -35.478 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -1.485 -36.969 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 1 0.779 -36.978 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 1 0.690 -35.387 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 1 0.515 -35.509 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.294 -36.249 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.089 -34.678 0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.087 -32.896 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.850 -32.796 0.518 1.00 0.00 H new ATOM 27 N MET A 2 -3.077 -33.421 -3.095 1.00 0.00 N ATOM 28 CA MET A 2 -3.774 -32.776 -4.246 1.00 0.00 C ATOM 29 C MET A 2 -4.444 -33.839 -5.121 1.00 0.00 C ATOM 30 O MET A 2 -3.888 -34.889 -5.375 1.00 0.00 O ATOM 31 CB MET A 2 -2.670 -32.059 -5.024 1.00 0.00 C ATOM 32 CG MET A 2 -3.196 -31.659 -6.404 1.00 0.00 C ATOM 33 SD MET A 2 -2.393 -32.670 -7.673 1.00 0.00 S ATOM 34 CE MET A 2 -3.819 -33.710 -8.069 1.00 0.00 C ATOM 0 H MET A 2 -2.075 -33.564 -3.218 1.00 0.00 H new ATOM 0 HA MET A 2 -4.558 -32.090 -3.924 1.00 0.00 H new ATOM 0 HB2 MET A 2 -2.341 -31.175 -4.478 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.802 -32.710 -5.128 1.00 0.00 H new ATOM 0 HG2 MET A 2 -4.277 -31.794 -6.446 1.00 0.00 H new ATOM 0 HG3 MET A 2 -3.000 -30.603 -6.588 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.863 -33.873 -9.146 1.00 0.00 H new ATOM 0 HE2 MET A 2 -3.722 -34.669 -7.561 1.00 0.00 H new ATOM 0 HE3 MET A 2 -4.733 -33.215 -7.739 1.00 0.00 H new ATOM 44 N LYS A 3 -5.635 -33.574 -5.584 1.00 0.00 N ATOM 45 CA LYS A 3 -6.340 -34.569 -6.442 1.00 0.00 C ATOM 46 C LYS A 3 -7.703 -34.022 -6.876 1.00 0.00 C ATOM 47 O LYS A 3 -8.724 -34.654 -6.689 1.00 0.00 O ATOM 48 CB LYS A 3 -6.514 -35.803 -5.555 1.00 0.00 C ATOM 49 CG LYS A 3 -7.046 -35.377 -4.185 1.00 0.00 C ATOM 50 CD LYS A 3 -7.372 -36.620 -3.355 1.00 0.00 C ATOM 51 CE LYS A 3 -6.704 -36.507 -1.983 1.00 0.00 C ATOM 52 NZ LYS A 3 -7.661 -37.143 -1.036 1.00 0.00 N ATOM 0 H LYS A 3 -6.150 -32.712 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.786 -34.796 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.204 -36.505 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.561 -36.320 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.305 -34.766 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.938 -34.762 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.451 -36.720 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.022 -37.515 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.740 -37.015 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.519 -35.466 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.273 -37.104 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.568 -36.634 -1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.812 -38.135 -1.309 1.00 0.00 H new ATOM 66 N LYS A 4 -7.727 -32.853 -7.454 1.00 0.00 N ATOM 67 CA LYS A 4 -9.024 -32.268 -7.899 1.00 0.00 C ATOM 68 C LYS A 4 -8.775 -31.109 -8.868 1.00 0.00 C ATOM 69 O LYS A 4 -7.712 -30.983 -9.442 1.00 0.00 O ATOM 70 CB LYS A 4 -9.690 -31.763 -6.619 1.00 0.00 C ATOM 71 CG LYS A 4 -8.765 -30.765 -5.919 1.00 0.00 C ATOM 72 CD LYS A 4 -9.286 -30.486 -4.509 1.00 0.00 C ATOM 73 CE LYS A 4 -9.212 -31.766 -3.674 1.00 0.00 C ATOM 74 NZ LYS A 4 -9.134 -31.301 -2.261 1.00 0.00 N ATOM 0 H LYS A 4 -6.905 -32.277 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.647 -32.993 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.642 -31.288 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.907 -32.600 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.752 -31.164 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.715 -29.838 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.695 -29.699 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.314 -30.128 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.089 -32.393 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.340 -32.362 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.081 -32.124 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.286 -30.712 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.981 -30.742 -2.032 1.00 0.00 H new ATOM 88 N LYS A 5 -9.749 -30.260 -9.054 1.00 0.00 N ATOM 89 CA LYS A 5 -9.568 -29.110 -9.986 1.00 0.00 C ATOM 90 C LYS A 5 -8.279 -28.354 -9.650 1.00 0.00 C ATOM 91 O LYS A 5 -7.909 -28.219 -8.501 1.00 0.00 O ATOM 92 CB LYS A 5 -10.788 -28.217 -9.756 1.00 0.00 C ATOM 93 CG LYS A 5 -12.065 -29.036 -9.952 1.00 0.00 C ATOM 94 CD LYS A 5 -12.743 -29.256 -8.598 1.00 0.00 C ATOM 95 CE LYS A 5 -13.195 -30.714 -8.484 1.00 0.00 C ATOM 96 NZ LYS A 5 -13.482 -30.916 -7.037 1.00 0.00 N ATOM 0 H LYS A 5 -10.662 -30.313 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.487 -29.430 -11.025 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.762 -27.800 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.772 -27.376 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.742 -28.517 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.828 -29.995 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.053 -29.014 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.599 -28.590 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.080 -30.902 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.419 -31.396 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.893 -31.691 -6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.268 -30.042 -6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.486 -31.156 -6.912 1.00 0.00 H new ATOM 110 N ASP A 6 -7.593 -27.862 -10.645 1.00 0.00 N ATOM 111 CA ASP A 6 -6.328 -27.116 -10.381 1.00 0.00 C ATOM 112 C ASP A 6 -5.957 -26.258 -11.594 1.00 0.00 C ATOM 113 O ASP A 6 -4.882 -26.381 -12.147 1.00 0.00 O ATOM 114 CB ASP A 6 -5.273 -28.198 -10.146 1.00 0.00 C ATOM 115 CG ASP A 6 -4.971 -28.299 -8.650 1.00 0.00 C ATOM 116 OD1 ASP A 6 -5.009 -27.275 -7.987 1.00 0.00 O ATOM 117 OD2 ASP A 6 -4.707 -29.398 -8.191 1.00 0.00 O ATOM 0 H ASP A 6 -7.852 -27.944 -11.628 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.416 -26.441 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.630 -29.157 -10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.363 -27.959 -10.696 1.00 0.00 H new ATOM 122 N GLU A 7 -6.838 -25.391 -12.012 1.00 0.00 N ATOM 123 CA GLU A 7 -6.535 -24.527 -13.188 1.00 0.00 C ATOM 124 C GLU A 7 -6.161 -23.116 -12.726 1.00 0.00 C ATOM 125 O GLU A 7 -6.423 -22.731 -11.603 1.00 0.00 O ATOM 126 CB GLU A 7 -7.828 -24.499 -14.004 1.00 0.00 C ATOM 127 CG GLU A 7 -8.391 -25.916 -14.118 1.00 0.00 C ATOM 128 CD GLU A 7 -7.366 -26.820 -14.806 1.00 0.00 C ATOM 129 OE1 GLU A 7 -6.264 -26.927 -14.294 1.00 0.00 O ATOM 130 OE2 GLU A 7 -7.701 -27.389 -15.831 1.00 0.00 O ATOM 0 H GLU A 7 -7.755 -25.243 -11.590 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.694 -24.903 -13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.557 -23.844 -13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.635 -24.092 -14.997 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.628 -26.305 -13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.321 -25.904 -14.687 1.00 0.00 H new ATOM 137 N GLY A 8 -5.550 -22.343 -13.581 1.00 0.00 N ATOM 138 CA GLY A 8 -5.162 -20.959 -13.188 1.00 0.00 C ATOM 139 C GLY A 8 -6.053 -19.952 -13.918 1.00 0.00 C ATOM 140 O GLY A 8 -7.234 -19.847 -13.653 1.00 0.00 O ATOM 0 H GLY A 8 -5.303 -22.610 -14.534 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.262 -20.834 -12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.115 -20.780 -13.434 1.00 0.00 H new ATOM 144 N SER A 9 -5.497 -19.211 -14.837 1.00 0.00 N ATOM 145 CA SER A 9 -6.313 -18.213 -15.585 1.00 0.00 C ATOM 146 C SER A 9 -5.513 -17.647 -16.760 1.00 0.00 C ATOM 147 O SER A 9 -4.622 -18.286 -17.283 1.00 0.00 O ATOM 148 CB SER A 9 -6.625 -17.116 -14.568 1.00 0.00 C ATOM 149 OG SER A 9 -8.033 -16.942 -14.484 1.00 0.00 O ATOM 0 H SER A 9 -4.513 -19.253 -15.102 1.00 0.00 H new ATOM 0 HA SER A 9 -7.220 -18.651 -16.003 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.221 -17.383 -13.592 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.148 -16.182 -14.865 1.00 0.00 H new ATOM 0 HG SER A 9 -8.238 -16.240 -13.831 1.00 0.00 H new ATOM 155 N TYR A 10 -5.824 -16.450 -17.180 1.00 0.00 N ATOM 156 CA TYR A 10 -5.082 -15.844 -18.322 1.00 0.00 C ATOM 157 C TYR A 10 -5.687 -14.485 -18.682 1.00 0.00 C ATOM 158 O TYR A 10 -6.688 -14.402 -19.367 1.00 0.00 O ATOM 159 CB TYR A 10 -5.254 -16.831 -19.476 1.00 0.00 C ATOM 160 CG TYR A 10 -4.847 -16.169 -20.771 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.752 -15.298 -20.798 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.567 -16.425 -21.944 1.00 0.00 C ATOM 163 CE1 TYR A 10 -3.375 -14.684 -21.998 1.00 0.00 C ATOM 164 CE2 TYR A 10 -5.190 -15.812 -23.145 1.00 0.00 C ATOM 165 CZ TYR A 10 -4.095 -14.941 -23.172 1.00 0.00 C ATOM 166 OH TYR A 10 -3.723 -14.335 -24.355 1.00 0.00 O ATOM 0 H TYR A 10 -6.559 -15.866 -16.782 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.031 -15.672 -18.088 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.646 -17.719 -19.303 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.291 -17.161 -19.534 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.198 -15.100 -19.893 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.413 -17.095 -21.922 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.529 -14.012 -22.019 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.744 -16.011 -24.050 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.325 -14.622 -25.073 1.00 0.00 H new ATOM 176 N ASP A 11 -5.088 -13.417 -18.227 1.00 0.00 N ATOM 177 CA ASP A 11 -5.628 -12.068 -18.544 1.00 0.00 C ATOM 178 C ASP A 11 -4.633 -10.987 -18.116 1.00 0.00 C ATOM 179 O ASP A 11 -3.445 -11.223 -18.025 1.00 0.00 O ATOM 180 CB ASP A 11 -6.919 -11.963 -17.735 1.00 0.00 C ATOM 181 CG ASP A 11 -8.109 -11.830 -18.687 1.00 0.00 C ATOM 182 OD1 ASP A 11 -8.137 -10.870 -19.438 1.00 0.00 O ATOM 183 OD2 ASP A 11 -8.974 -12.690 -18.647 1.00 0.00 O ATOM 0 H ASP A 11 -4.247 -13.423 -17.649 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.803 -11.930 -19.611 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.039 -12.845 -17.106 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.874 -11.101 -17.069 1.00 0.00 H new ATOM 188 N LEU A 12 -5.109 -9.800 -17.853 1.00 0.00 N ATOM 189 CA LEU A 12 -4.190 -8.703 -17.431 1.00 0.00 C ATOM 190 C LEU A 12 -3.109 -8.480 -18.492 1.00 0.00 C ATOM 191 O LEU A 12 -2.804 -9.357 -19.276 1.00 0.00 O ATOM 192 CB LEU A 12 -3.567 -9.188 -16.122 1.00 0.00 C ATOM 193 CG LEU A 12 -4.670 -9.453 -15.097 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.049 -9.999 -13.810 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.407 -8.147 -14.793 1.00 0.00 C ATOM 0 H LEU A 12 -6.094 -9.542 -17.912 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.711 -7.754 -17.306 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.992 -10.098 -16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.872 -8.440 -15.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.373 -10.182 -15.499 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.835 -10.188 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.523 -10.929 -14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.346 -9.270 -13.407 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.194 -8.335 -14.062 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.704 -7.418 -14.390 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.849 -7.757 -15.710 1.00 0.00 H new ATOM 207 N GLY A 13 -2.525 -7.313 -18.519 1.00 0.00 N ATOM 208 CA GLY A 13 -1.462 -7.035 -19.526 1.00 0.00 C ATOM 209 C GLY A 13 -0.106 -6.950 -18.826 1.00 0.00 C ATOM 210 O GLY A 13 0.799 -7.710 -19.110 1.00 0.00 O ATOM 0 H GLY A 13 -2.738 -6.541 -17.888 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.445 -7.822 -20.280 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.674 -6.101 -20.046 1.00 0.00 H new ATOM 214 N LYS A 14 0.045 -6.031 -17.911 1.00 0.00 N ATOM 215 CA LYS A 14 1.344 -5.901 -17.193 1.00 0.00 C ATOM 216 C LYS A 14 1.204 -4.931 -16.013 1.00 0.00 C ATOM 217 O LYS A 14 0.645 -5.269 -14.989 1.00 0.00 O ATOM 218 CB LYS A 14 2.321 -5.363 -18.240 1.00 0.00 C ATOM 219 CG LYS A 14 3.707 -5.203 -17.611 1.00 0.00 C ATOM 220 CD LYS A 14 4.774 -5.685 -18.597 1.00 0.00 C ATOM 221 CE LYS A 14 5.220 -7.099 -18.217 1.00 0.00 C ATOM 222 NZ LYS A 14 4.487 -7.996 -19.153 1.00 0.00 N ATOM 0 H LYS A 14 -0.675 -5.365 -17.630 1.00 0.00 H new ATOM 0 HA LYS A 14 1.686 -6.847 -16.774 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.372 -6.044 -19.089 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.970 -4.404 -18.621 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.882 -4.159 -17.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.766 -5.776 -16.686 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.376 -5.678 -19.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.628 -5.008 -18.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.299 -7.215 -18.322 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.975 -7.325 -17.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.778 -8.981 -18.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.464 -7.906 -18.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.706 -7.728 -20.134 1.00 0.00 H new ATOM 236 N LYS A 15 1.705 -3.732 -16.142 1.00 0.00 N ATOM 237 CA LYS A 15 1.594 -2.755 -15.022 1.00 0.00 C ATOM 238 C LYS A 15 1.278 -1.359 -15.568 1.00 0.00 C ATOM 239 O LYS A 15 1.893 -0.911 -16.514 1.00 0.00 O ATOM 240 CB LYS A 15 2.965 -2.768 -14.347 1.00 0.00 C ATOM 241 CG LYS A 15 4.058 -2.618 -15.407 1.00 0.00 C ATOM 242 CD LYS A 15 5.154 -1.688 -14.884 1.00 0.00 C ATOM 243 CE LYS A 15 6.274 -1.583 -15.922 1.00 0.00 C ATOM 244 NZ LYS A 15 7.231 -2.667 -15.567 1.00 0.00 N ATOM 0 H LYS A 15 2.185 -3.388 -16.973 1.00 0.00 H new ATOM 0 HA LYS A 15 0.795 -3.013 -14.327 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.033 -1.957 -13.622 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.102 -3.699 -13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.480 -3.593 -15.650 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.634 -2.216 -16.327 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.740 -0.701 -14.679 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.551 -2.069 -13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.888 -1.712 -16.933 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.754 -0.605 -15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.028 -2.659 -16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.587 -2.514 -14.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.748 -3.587 -15.616 1.00 0.00 H new ATOM 258 N PRO A 16 0.322 -0.719 -14.949 1.00 0.00 N ATOM 259 CA PRO A 16 -0.087 0.641 -15.377 1.00 0.00 C ATOM 260 C PRO A 16 0.979 1.670 -14.992 1.00 0.00 C ATOM 261 O PRO A 16 1.733 1.480 -14.058 1.00 0.00 O ATOM 262 CB PRO A 16 -1.382 0.883 -14.606 1.00 0.00 C ATOM 263 CG PRO A 16 -1.292 -0.006 -13.407 1.00 0.00 C ATOM 264 CD PRO A 16 -0.459 -1.197 -13.803 1.00 0.00 C ATOM 0 HA PRO A 16 -0.215 0.730 -16.456 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.478 1.929 -14.315 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.254 0.639 -15.213 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.836 0.522 -12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.285 -0.320 -13.084 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.187 -1.521 -12.987 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.083 -2.049 -14.073 1.00 0.00 H new ATOM 272 N ILE A 17 1.045 2.759 -15.706 1.00 0.00 N ATOM 273 CA ILE A 17 2.059 3.804 -15.386 1.00 0.00 C ATOM 274 C ILE A 17 1.392 5.183 -15.360 1.00 0.00 C ATOM 275 O ILE A 17 0.185 5.297 -15.444 1.00 0.00 O ATOM 276 CB ILE A 17 3.089 3.727 -16.516 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.364 2.264 -16.878 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.394 4.385 -16.065 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.221 2.206 -18.143 1.00 0.00 C ATOM 0 H ILE A 17 0.440 2.971 -16.499 1.00 0.00 H new ATOM 0 HA ILE A 17 2.520 3.649 -14.411 1.00 0.00 H new ATOM 0 HB ILE A 17 2.695 4.247 -17.389 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.876 1.764 -16.056 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.425 1.735 -17.037 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.127 4.330 -16.870 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.207 5.429 -15.815 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.779 3.865 -15.188 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.418 1.166 -18.402 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.692 2.690 -18.964 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.166 2.721 -17.967 1.00 0.00 H new ATOM 291 N TYR A 18 2.162 6.230 -15.246 1.00 0.00 N ATOM 292 CA TYR A 18 1.562 7.595 -15.218 1.00 0.00 C ATOM 293 C TYR A 18 2.660 8.656 -15.324 1.00 0.00 C ATOM 294 O TYR A 18 2.922 9.389 -14.390 1.00 0.00 O ATOM 295 CB TYR A 18 0.851 7.689 -13.868 1.00 0.00 C ATOM 296 CG TYR A 18 -0.553 8.210 -14.070 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.319 7.759 -15.153 1.00 0.00 C ATOM 298 CD2 TYR A 18 -1.089 9.144 -13.175 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.619 8.242 -15.339 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.388 9.628 -13.362 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.155 9.176 -14.444 1.00 0.00 C ATOM 302 OH TYR A 18 -4.437 9.653 -14.627 1.00 0.00 O ATOM 0 H TYR A 18 3.179 6.200 -15.171 1.00 0.00 H new ATOM 0 HA TYR A 18 0.877 7.763 -16.049 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.821 6.709 -13.392 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.403 8.351 -13.200 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.906 7.039 -15.844 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.499 9.491 -12.340 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.210 7.894 -16.174 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.800 10.350 -12.672 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.653 10.292 -13.916 1.00 0.00 H new ATOM 312 N LYS A 19 3.304 8.745 -16.456 1.00 0.00 N ATOM 313 CA LYS A 19 4.385 9.758 -16.621 1.00 0.00 C ATOM 314 C LYS A 19 4.292 10.409 -18.005 1.00 0.00 C ATOM 315 O LYS A 19 3.290 10.307 -18.684 1.00 0.00 O ATOM 316 CB LYS A 19 5.689 8.972 -16.485 1.00 0.00 C ATOM 317 CG LYS A 19 6.123 8.953 -15.018 1.00 0.00 C ATOM 318 CD LYS A 19 7.313 9.895 -14.824 1.00 0.00 C ATOM 319 CE LYS A 19 6.854 11.150 -14.077 1.00 0.00 C ATOM 320 NZ LYS A 19 7.832 11.316 -12.966 1.00 0.00 N ATOM 0 H LYS A 19 3.128 8.160 -17.273 1.00 0.00 H new ATOM 0 HA LYS A 19 4.315 10.560 -15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.552 7.953 -16.848 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.466 9.427 -17.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.295 9.260 -14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.396 7.940 -14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.101 9.392 -14.263 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.735 10.168 -15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.850 12.021 -14.733 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.839 11.034 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.583 12.157 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.809 10.475 -12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.788 11.432 -13.359 1.00 0.00 H new ATOM 334 N LYS A 20 5.331 11.077 -18.428 1.00 0.00 N ATOM 335 CA LYS A 20 5.306 11.733 -19.766 1.00 0.00 C ATOM 336 C LYS A 20 6.519 12.653 -19.926 1.00 0.00 C ATOM 337 O LYS A 20 7.420 12.656 -19.110 1.00 0.00 O ATOM 338 CB LYS A 20 4.010 12.546 -19.792 1.00 0.00 C ATOM 339 CG LYS A 20 3.096 12.015 -20.898 1.00 0.00 C ATOM 340 CD LYS A 20 1.952 13.004 -21.133 1.00 0.00 C ATOM 341 CE LYS A 20 1.939 13.431 -22.601 1.00 0.00 C ATOM 342 NZ LYS A 20 2.456 14.829 -22.599 1.00 0.00 N ATOM 0 H LYS A 20 6.197 11.197 -17.903 1.00 0.00 H new ATOM 0 HA LYS A 20 5.346 11.008 -20.579 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.507 12.480 -18.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.232 13.599 -19.964 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.664 11.874 -21.818 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.697 11.040 -20.618 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.000 12.544 -20.869 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.074 13.876 -20.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.567 12.779 -23.208 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.933 13.383 -23.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.477 15.193 -23.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.834 15.428 -22.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.418 14.843 -22.203 1.00 0.00 H new ATOM 356 N ALA A 21 6.550 13.432 -20.972 1.00 0.00 N ATOM 357 CA ALA A 21 7.706 14.351 -21.184 1.00 0.00 C ATOM 358 C ALA A 21 7.685 15.476 -20.144 1.00 0.00 C ATOM 359 O ALA A 21 6.811 16.322 -20.164 1.00 0.00 O ATOM 360 CB ALA A 21 7.508 14.916 -22.590 1.00 0.00 C ATOM 0 H ALA A 21 5.826 13.473 -21.689 1.00 0.00 H new ATOM 0 HA ALA A 21 8.664 13.842 -21.080 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.320 15.604 -22.823 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.505 14.100 -23.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.557 15.447 -22.638 1.00 0.00 H new ATOM 366 N PRO A 22 8.652 15.447 -19.268 1.00 0.00 N ATOM 367 CA PRO A 22 8.749 16.478 -18.206 1.00 0.00 C ATOM 368 C PRO A 22 9.209 17.813 -18.798 1.00 0.00 C ATOM 369 O PRO A 22 10.371 18.003 -19.099 1.00 0.00 O ATOM 370 CB PRO A 22 9.800 15.914 -17.255 1.00 0.00 C ATOM 371 CG PRO A 22 10.631 14.995 -18.095 1.00 0.00 C ATOM 372 CD PRO A 22 9.735 14.462 -19.184 1.00 0.00 C ATOM 0 HA PRO A 22 7.798 16.677 -17.713 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.407 16.709 -16.821 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.336 15.379 -16.426 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.482 15.526 -18.521 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.033 14.180 -17.493 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.268 14.373 -20.131 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.354 13.471 -18.938 1.00 0.00 H new ATOM 380 N THR A 23 8.305 18.740 -18.968 1.00 0.00 N ATOM 381 CA THR A 23 8.688 20.062 -19.540 1.00 0.00 C ATOM 382 C THR A 23 10.009 20.542 -18.931 1.00 0.00 C ATOM 383 O THR A 23 10.452 20.043 -17.915 1.00 0.00 O ATOM 384 CB THR A 23 7.546 21.005 -19.158 1.00 0.00 C ATOM 385 OG1 THR A 23 6.374 20.639 -19.872 1.00 0.00 O ATOM 386 CG2 THR A 23 7.932 22.443 -19.506 1.00 0.00 C ATOM 0 H THR A 23 7.317 18.638 -18.735 1.00 0.00 H new ATOM 0 HA THR A 23 8.836 20.017 -20.619 1.00 0.00 H new ATOM 0 HB THR A 23 7.356 20.933 -18.087 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.640 21.241 -19.627 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.118 23.114 -19.234 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.831 22.721 -18.957 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.123 22.520 -20.576 1.00 0.00 H new ATOM 394 N ASN A 24 10.639 21.506 -19.542 1.00 0.00 N ATOM 395 CA ASN A 24 11.929 22.016 -18.997 1.00 0.00 C ATOM 396 C ASN A 24 11.725 23.391 -18.354 1.00 0.00 C ATOM 397 O ASN A 24 10.687 24.006 -18.498 1.00 0.00 O ATOM 398 CB ASN A 24 12.857 22.123 -20.207 1.00 0.00 C ATOM 399 CG ASN A 24 14.300 21.860 -19.772 1.00 0.00 C ATOM 400 OD1 ASN A 24 15.201 22.586 -20.140 1.00 0.00 O ATOM 401 ND2 ASN A 24 14.558 20.843 -18.994 1.00 0.00 N ATOM 0 H ASN A 24 10.317 21.963 -20.395 1.00 0.00 H new ATOM 0 HA ASN A 24 12.338 21.362 -18.227 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.560 21.404 -20.971 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.776 23.114 -20.654 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.516 20.659 -18.696 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.801 20.233 -18.685 1.00 0.00 H new ATOM 408 N GLU A 25 12.708 23.878 -17.646 1.00 0.00 N ATOM 409 CA GLU A 25 12.569 25.212 -16.995 1.00 0.00 C ATOM 410 C GLU A 25 13.585 26.195 -17.583 1.00 0.00 C ATOM 411 O GLU A 25 13.965 26.098 -18.733 1.00 0.00 O ATOM 412 CB GLU A 25 12.858 24.963 -15.515 1.00 0.00 C ATOM 413 CG GLU A 25 11.759 25.603 -14.665 1.00 0.00 C ATOM 414 CD GLU A 25 12.312 26.847 -13.968 1.00 0.00 C ATOM 415 OE1 GLU A 25 12.288 27.904 -14.578 1.00 0.00 O ATOM 416 OE2 GLU A 25 12.751 26.723 -12.837 1.00 0.00 O ATOM 0 H GLU A 25 13.601 23.410 -17.490 1.00 0.00 H new ATOM 0 HA GLU A 25 11.581 25.646 -17.149 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.907 23.892 -15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.829 25.381 -15.248 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.910 25.872 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.395 24.890 -13.925 1.00 0.00 H new ATOM 423 N PHE A 26 14.027 27.143 -16.802 1.00 0.00 N ATOM 424 CA PHE A 26 15.019 28.132 -17.316 1.00 0.00 C ATOM 425 C PHE A 26 16.444 27.619 -17.089 1.00 0.00 C ATOM 426 O PHE A 26 16.654 26.596 -16.469 1.00 0.00 O ATOM 427 CB PHE A 26 14.769 29.402 -16.504 1.00 0.00 C ATOM 428 CG PHE A 26 15.637 30.518 -17.034 1.00 0.00 C ATOM 429 CD1 PHE A 26 15.251 31.220 -18.183 1.00 0.00 C ATOM 430 CD2 PHE A 26 16.827 30.851 -16.377 1.00 0.00 C ATOM 431 CE1 PHE A 26 16.055 32.254 -18.674 1.00 0.00 C ATOM 432 CE2 PHE A 26 17.632 31.886 -16.869 1.00 0.00 C ATOM 433 CZ PHE A 26 17.247 32.587 -18.017 1.00 0.00 C ATOM 0 H PHE A 26 13.745 27.276 -15.831 1.00 0.00 H new ATOM 0 HA PHE A 26 14.912 28.306 -18.387 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.718 29.684 -16.565 1.00 0.00 H new ATOM 0 HB3 PHE A 26 14.991 29.223 -15.452 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.333 30.963 -18.690 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.124 30.310 -15.491 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.757 32.796 -19.560 1.00 0.00 H new ATOM 0 HE2 PHE A 26 18.550 32.143 -16.362 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.868 33.385 -18.397 1.00 0.00 H new ATOM 443 N TYR A 27 17.423 28.324 -17.585 1.00 0.00 N ATOM 444 CA TYR A 27 18.833 27.877 -17.396 1.00 0.00 C ATOM 445 C TYR A 27 19.437 28.540 -16.154 1.00 0.00 C ATOM 446 O TYR A 27 19.582 27.922 -15.118 1.00 0.00 O ATOM 447 CB TYR A 27 19.566 28.335 -18.658 1.00 0.00 C ATOM 448 CG TYR A 27 20.242 27.150 -19.305 1.00 0.00 C ATOM 449 CD1 TYR A 27 21.291 26.496 -18.648 1.00 0.00 C ATOM 450 CD2 TYR A 27 19.818 26.705 -20.563 1.00 0.00 C ATOM 451 CE1 TYR A 27 21.916 25.397 -19.249 1.00 0.00 C ATOM 452 CE2 TYR A 27 20.445 25.606 -21.164 1.00 0.00 C ATOM 453 CZ TYR A 27 21.494 24.953 -20.507 1.00 0.00 C ATOM 454 OH TYR A 27 22.111 23.869 -21.100 1.00 0.00 O ATOM 0 H TYR A 27 17.309 29.189 -18.113 1.00 0.00 H new ATOM 0 HA TYR A 27 18.908 26.800 -17.249 1.00 0.00 H new ATOM 0 HB2 TYR A 27 18.863 28.791 -19.355 1.00 0.00 H new ATOM 0 HB3 TYR A 27 20.305 29.096 -18.407 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.618 26.839 -17.678 1.00 0.00 H new ATOM 0 HD2 TYR A 27 19.008 27.209 -21.070 1.00 0.00 H new ATOM 0 HE1 TYR A 27 22.724 24.892 -18.741 1.00 0.00 H new ATOM 0 HE2 TYR A 27 20.119 25.263 -22.135 1.00 0.00 H new ATOM 0 HH TYR A 27 21.696 23.692 -21.970 1.00 0.00 H new ATOM 464 N ALA A 28 19.789 29.792 -16.251 1.00 0.00 N ATOM 465 CA ALA A 28 20.382 30.492 -15.076 1.00 0.00 C ATOM 466 C ALA A 28 20.698 31.948 -15.432 1.00 0.00 C ATOM 467 O ALA A 28 20.751 32.250 -16.611 1.00 0.00 O ATOM 468 CB ALA A 28 21.668 29.726 -14.765 1.00 0.00 C ATOM 469 OXT ALA A 28 20.882 32.735 -14.517 1.00 0.00 O ATOM 0 H ALA A 28 19.692 30.361 -17.092 1.00 0.00 H new ATOM 0 HA ALA A 28 19.704 30.513 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.165 30.182 -13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.427 28.688 -14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.331 29.761 -15.630 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -11.657 -35.566 -29.489 1.00 0.00 N ATOM 477 CA ARG B 1 -11.971 -34.202 -28.973 1.00 0.00 C ATOM 478 C ARG B 1 -10.963 -33.799 -27.894 1.00 0.00 C ATOM 479 O ARG B 1 -9.798 -34.135 -27.964 1.00 0.00 O ATOM 480 CB ARG B 1 -13.376 -34.317 -28.380 1.00 0.00 C ATOM 481 CG ARG B 1 -14.337 -34.856 -29.442 1.00 0.00 C ATOM 482 CD ARG B 1 -15.709 -34.201 -29.269 1.00 0.00 C ATOM 483 NE ARG B 1 -16.004 -33.572 -30.586 1.00 0.00 N ATOM 484 CZ ARG B 1 -16.688 -32.462 -30.641 1.00 0.00 C ATOM 485 NH1 ARG B 1 -17.992 -32.499 -30.661 1.00 0.00 N ATOM 486 NH2 ARG B 1 -16.068 -31.314 -30.674 1.00 0.00 N ATOM 0 H1 ARG B 1 -11.941 -35.633 -30.487 1.00 0.00 H new ATOM 0 H2 ARG B 1 -10.635 -35.741 -29.407 1.00 0.00 H new ATOM 0 H3 ARG B 1 -12.176 -36.275 -28.933 1.00 0.00 H new ATOM 0 HA ARG B 1 -11.919 -33.443 -29.754 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -13.364 -34.980 -27.515 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -13.715 -33.342 -28.029 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -13.947 -34.650 -30.439 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -14.425 -35.939 -29.352 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -16.468 -34.938 -29.005 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -15.694 -33.458 -28.471 1.00 0.00 H new ATOM 0 HE ARG B 1 -15.671 -34.009 -31.446 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -18.477 -33.396 -30.634 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -18.526 -31.631 -30.704 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -15.049 -31.284 -30.657 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -16.603 -30.447 -30.717 1.00 0.00 H new ATOM 502 N MET B 2 -11.403 -33.081 -26.897 1.00 0.00 N ATOM 503 CA MET B 2 -10.469 -32.658 -25.815 1.00 0.00 C ATOM 504 C MET B 2 -10.288 -33.791 -24.799 1.00 0.00 C ATOM 505 O MET B 2 -11.229 -34.467 -24.436 1.00 0.00 O ATOM 506 CB MET B 2 -11.143 -31.453 -25.159 1.00 0.00 C ATOM 507 CG MET B 2 -10.460 -31.149 -23.824 1.00 0.00 C ATOM 508 SD MET B 2 -11.581 -31.563 -22.464 1.00 0.00 S ATOM 509 CE MET B 2 -10.719 -33.053 -21.906 1.00 0.00 C ATOM 0 H MET B 2 -12.368 -32.769 -26.785 1.00 0.00 H new ATOM 0 HA MET B 2 -9.478 -32.413 -26.197 1.00 0.00 H new ATOM 0 HB2 MET B 2 -11.081 -30.586 -25.817 1.00 0.00 H new ATOM 0 HB3 MET B 2 -12.202 -31.657 -25.000 1.00 0.00 H new ATOM 0 HG2 MET B 2 -9.537 -31.723 -23.736 1.00 0.00 H new ATOM 0 HG3 MET B 2 -10.186 -30.095 -23.775 1.00 0.00 H new ATOM 0 HE1 MET B 2 -10.841 -33.162 -20.828 1.00 0.00 H new ATOM 0 HE2 MET B 2 -11.137 -33.925 -22.409 1.00 0.00 H new ATOM 0 HE3 MET B 2 -9.659 -32.971 -22.145 1.00 0.00 H new ATOM 519 N LYS B 3 -9.085 -34.001 -24.340 1.00 0.00 N ATOM 520 CA LYS B 3 -8.845 -35.090 -23.349 1.00 0.00 C ATOM 521 C LYS B 3 -7.367 -35.123 -22.948 1.00 0.00 C ATOM 522 O LYS B 3 -6.716 -36.146 -23.030 1.00 0.00 O ATOM 523 CB LYS B 3 -9.234 -36.378 -24.074 1.00 0.00 C ATOM 524 CG LYS B 3 -8.609 -36.387 -25.470 1.00 0.00 C ATOM 525 CD LYS B 3 -8.863 -37.742 -26.135 1.00 0.00 C ATOM 526 CE LYS B 3 -9.458 -37.523 -27.529 1.00 0.00 C ATOM 527 NZ LYS B 3 -8.886 -38.614 -28.366 1.00 0.00 N ATOM 0 H LYS B 3 -8.258 -33.467 -24.607 1.00 0.00 H new ATOM 0 HA LYS B 3 -9.419 -34.950 -22.433 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.894 -37.244 -23.506 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.319 -36.452 -24.149 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.035 -35.587 -26.076 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -7.538 -36.199 -25.401 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -7.931 -38.303 -26.210 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.545 -38.336 -25.526 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -10.547 -37.572 -27.506 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -9.192 -36.542 -27.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.247 -38.532 -29.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.849 -38.538 -28.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -9.162 -39.536 -27.971 1.00 0.00 H new ATOM 541 N LYS B 4 -6.836 -34.013 -22.515 1.00 0.00 N ATOM 542 CA LYS B 4 -5.400 -33.984 -22.110 1.00 0.00 C ATOM 543 C LYS B 4 -5.108 -32.721 -21.296 1.00 0.00 C ATOM 544 O LYS B 4 -6.002 -32.088 -20.769 1.00 0.00 O ATOM 545 CB LYS B 4 -4.618 -33.968 -23.424 1.00 0.00 C ATOM 546 CG LYS B 4 -5.051 -32.766 -24.263 1.00 0.00 C ATOM 547 CD LYS B 4 -4.499 -32.907 -25.683 1.00 0.00 C ATOM 548 CE LYS B 4 -5.132 -34.127 -26.358 1.00 0.00 C ATOM 549 NZ LYS B 4 -5.044 -33.846 -27.818 1.00 0.00 N ATOM 0 H LYS B 4 -7.332 -33.126 -22.424 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.129 -34.835 -21.485 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -3.548 -33.917 -23.222 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -4.794 -34.892 -23.975 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.139 -32.701 -24.289 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -4.687 -31.844 -23.810 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -4.714 -32.007 -26.259 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -3.415 -33.016 -25.654 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -4.600 -35.042 -26.099 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -6.167 -34.260 -26.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -5.458 -34.638 -28.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -5.565 -32.973 -28.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -4.047 -33.731 -28.090 1.00 0.00 H new ATOM 563 N LYS B 5 -3.862 -32.349 -21.187 1.00 0.00 N ATOM 564 CA LYS B 5 -3.513 -31.126 -20.406 1.00 0.00 C ATOM 565 C LYS B 5 -4.369 -29.944 -20.866 1.00 0.00 C ATOM 566 O LYS B 5 -4.679 -29.804 -22.033 1.00 0.00 O ATOM 567 CB LYS B 5 -2.037 -30.871 -20.711 1.00 0.00 C ATOM 568 CG LYS B 5 -1.222 -32.123 -20.382 1.00 0.00 C ATOM 569 CD LYS B 5 -0.738 -32.773 -21.679 1.00 0.00 C ATOM 570 CE LYS B 5 -0.949 -34.286 -21.604 1.00 0.00 C ATOM 571 NZ LYS B 5 -0.815 -34.764 -23.009 1.00 0.00 N ATOM 0 H LYS B 5 -3.070 -32.838 -21.604 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.693 -31.251 -19.338 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -1.912 -30.609 -21.762 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -1.675 -30.025 -20.126 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -0.370 -31.861 -19.754 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -1.831 -32.827 -19.815 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.282 -32.361 -22.529 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.317 -32.550 -21.838 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -0.210 -34.756 -20.955 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.931 -34.528 -21.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -1.738 -35.102 -23.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -0.488 -33.982 -23.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -0.126 -35.542 -23.047 1.00 0.00 H new ATOM 585 N ASP B 6 -4.755 -29.090 -19.957 1.00 0.00 N ATOM 586 CA ASP B 6 -5.590 -27.917 -20.344 1.00 0.00 C ATOM 587 C ASP B 6 -5.531 -26.843 -19.254 1.00 0.00 C ATOM 588 O ASP B 6 -6.540 -26.430 -18.719 1.00 0.00 O ATOM 589 CB ASP B 6 -7.011 -28.469 -20.475 1.00 0.00 C ATOM 590 CG ASP B 6 -7.368 -28.613 -21.955 1.00 0.00 C ATOM 591 OD1 ASP B 6 -6.918 -27.791 -22.736 1.00 0.00 O ATOM 592 OD2 ASP B 6 -8.085 -29.545 -22.284 1.00 0.00 O ATOM 0 H ASP B 6 -4.529 -29.154 -18.964 1.00 0.00 H new ATOM 0 HA ASP B 6 -5.246 -27.452 -21.268 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -7.084 -29.436 -19.977 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -7.719 -27.802 -19.983 1.00 0.00 H new ATOM 597 N GLU B 7 -4.353 -26.387 -18.921 1.00 0.00 N ATOM 598 CA GLU B 7 -4.231 -25.340 -17.866 1.00 0.00 C ATOM 599 C GLU B 7 -3.984 -23.972 -18.507 1.00 0.00 C ATOM 600 O GLU B 7 -3.614 -23.873 -19.660 1.00 0.00 O ATOM 601 CB GLU B 7 -3.025 -25.764 -17.025 1.00 0.00 C ATOM 602 CG GLU B 7 -3.113 -27.262 -16.724 1.00 0.00 C ATOM 603 CD GLU B 7 -4.405 -27.555 -15.962 1.00 0.00 C ATOM 604 OE1 GLU B 7 -5.463 -27.246 -16.486 1.00 0.00 O ATOM 605 OE2 GLU B 7 -4.316 -28.084 -14.866 1.00 0.00 O ATOM 0 H GLU B 7 -3.472 -26.694 -19.333 1.00 0.00 H new ATOM 0 HA GLU B 7 -5.136 -25.251 -17.265 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -2.101 -25.543 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.999 -25.196 -16.095 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.089 -27.832 -17.653 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -2.252 -27.576 -16.135 1.00 0.00 H new ATOM 612 N GLY B 8 -4.185 -22.915 -17.768 1.00 0.00 N ATOM 613 CA GLY B 8 -3.961 -21.555 -18.336 1.00 0.00 C ATOM 614 C GLY B 8 -2.708 -20.941 -17.710 1.00 0.00 C ATOM 615 O GLY B 8 -1.602 -21.379 -17.954 1.00 0.00 O ATOM 0 H GLY B 8 -4.494 -22.934 -16.796 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.847 -21.615 -19.418 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.826 -20.921 -18.141 1.00 0.00 H new ATOM 619 N SER B 9 -2.873 -19.929 -16.902 1.00 0.00 N ATOM 620 CA SER B 9 -1.691 -19.289 -16.259 1.00 0.00 C ATOM 621 C SER B 9 -2.143 -18.298 -15.183 1.00 0.00 C ATOM 622 O SER B 9 -3.206 -18.432 -14.610 1.00 0.00 O ATOM 623 CB SER B 9 -0.971 -18.559 -17.392 1.00 0.00 C ATOM 624 OG SER B 9 0.376 -19.010 -17.460 1.00 0.00 O ATOM 0 H SER B 9 -3.775 -19.518 -16.660 1.00 0.00 H new ATOM 0 HA SER B 9 -1.045 -20.016 -15.767 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.477 -18.745 -18.339 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.998 -17.483 -17.222 1.00 0.00 H new ATOM 0 HG SER B 9 0.840 -18.545 -18.187 1.00 0.00 H new ATOM 630 N TYR B 10 -1.343 -17.305 -14.904 1.00 0.00 N ATOM 631 CA TYR B 10 -1.728 -16.308 -13.863 1.00 0.00 C ATOM 632 C TYR B 10 -0.593 -15.300 -13.654 1.00 0.00 C ATOM 633 O TYR B 10 0.366 -15.568 -12.958 1.00 0.00 O ATOM 634 CB TYR B 10 -1.959 -17.128 -12.594 1.00 0.00 C ATOM 635 CG TYR B 10 -2.011 -16.205 -11.401 1.00 0.00 C ATOM 636 CD1 TYR B 10 -2.633 -14.955 -11.509 1.00 0.00 C ATOM 637 CD2 TYR B 10 -1.436 -16.598 -10.185 1.00 0.00 C ATOM 638 CE1 TYR B 10 -2.682 -14.099 -10.401 1.00 0.00 C ATOM 639 CE2 TYR B 10 -1.485 -15.741 -9.079 1.00 0.00 C ATOM 640 CZ TYR B 10 -2.106 -14.492 -9.187 1.00 0.00 C ATOM 641 OH TYR B 10 -2.154 -13.648 -8.097 1.00 0.00 O ATOM 0 H TYR B 10 -0.441 -17.141 -15.351 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.613 -15.737 -14.144 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.891 -17.688 -12.675 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -1.158 -17.857 -12.469 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.075 -14.651 -12.446 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.955 -17.561 -10.101 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -3.164 -13.136 -10.483 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -1.043 -16.044 -8.141 1.00 0.00 H new ATOM 0 HH TYR B 10 -1.709 -14.073 -7.334 1.00 0.00 H new ATOM 651 N ASP B 11 -0.696 -14.145 -14.251 1.00 0.00 N ATOM 652 CA ASP B 11 0.372 -13.124 -14.086 1.00 0.00 C ATOM 653 C ASP B 11 -0.082 -11.782 -14.669 1.00 0.00 C ATOM 654 O ASP B 11 -1.260 -11.502 -14.762 1.00 0.00 O ATOM 655 CB ASP B 11 1.565 -13.674 -14.867 1.00 0.00 C ATOM 656 CG ASP B 11 2.725 -13.944 -13.907 1.00 0.00 C ATOM 657 OD1 ASP B 11 3.177 -13.002 -13.276 1.00 0.00 O ATOM 658 OD2 ASP B 11 3.141 -15.088 -13.819 1.00 0.00 O ATOM 0 H ASP B 11 -1.475 -13.865 -14.847 1.00 0.00 H new ATOM 0 HA ASP B 11 0.617 -12.946 -13.039 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.284 -14.593 -15.381 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.871 -12.961 -15.633 1.00 0.00 H new ATOM 663 N LEU B 12 0.845 -10.951 -15.061 1.00 0.00 N ATOM 664 CA LEU B 12 0.467 -9.628 -15.636 1.00 0.00 C ATOM 665 C LEU B 12 -0.389 -8.842 -14.641 1.00 0.00 C ATOM 666 O LEU B 12 -1.015 -9.405 -13.765 1.00 0.00 O ATOM 667 CB LEU B 12 -0.338 -9.958 -16.894 1.00 0.00 C ATOM 668 CG LEU B 12 0.520 -10.788 -17.849 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.308 -11.171 -19.077 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.733 -9.964 -18.290 1.00 0.00 C ATOM 0 H LEU B 12 1.848 -11.131 -15.008 1.00 0.00 H new ATOM 0 HA LEU B 12 1.338 -9.012 -15.859 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.240 -10.509 -16.627 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.660 -9.039 -17.384 1.00 0.00 H new ATOM 0 HG LEU B 12 0.858 -11.692 -17.342 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.304 -11.763 -19.758 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.173 -11.756 -18.765 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.645 -10.267 -19.585 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.346 -10.555 -18.971 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.394 -9.061 -18.797 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.324 -9.689 -17.416 1.00 0.00 H new ATOM 682 N GLY B 13 -0.422 -7.543 -14.771 1.00 0.00 N ATOM 683 CA GLY B 13 -1.239 -6.721 -13.834 1.00 0.00 C ATOM 684 C GLY B 13 -2.450 -6.155 -14.576 1.00 0.00 C ATOM 685 O GLY B 13 -3.583 -6.420 -14.226 1.00 0.00 O ATOM 0 H GLY B 13 0.081 -7.016 -15.485 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.567 -7.329 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.637 -5.909 -13.426 1.00 0.00 H new ATOM 689 N LYS B 14 -2.222 -5.377 -15.599 1.00 0.00 N ATOM 690 CA LYS B 14 -3.363 -4.797 -16.362 1.00 0.00 C ATOM 691 C LYS B 14 -2.857 -4.129 -17.647 1.00 0.00 C ATOM 692 O LYS B 14 -2.522 -4.793 -18.608 1.00 0.00 O ATOM 693 CB LYS B 14 -3.991 -3.773 -15.414 1.00 0.00 C ATOM 694 CG LYS B 14 -5.195 -3.119 -16.095 1.00 0.00 C ATOM 695 CD LYS B 14 -6.339 -2.979 -15.088 1.00 0.00 C ATOM 696 CE LYS B 14 -7.351 -4.105 -15.306 1.00 0.00 C ATOM 697 NZ LYS B 14 -7.044 -5.108 -14.248 1.00 0.00 N ATOM 0 H LYS B 14 -1.296 -5.118 -15.939 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.086 -5.552 -16.672 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.303 -4.260 -14.490 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -3.257 -3.014 -15.143 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -4.918 -2.140 -16.485 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.516 -3.721 -16.945 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -5.949 -3.018 -14.071 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -6.825 -2.011 -15.206 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -8.374 -3.739 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.252 -4.538 -16.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -7.730 -5.888 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -6.084 -5.481 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -7.104 -4.656 -13.313 1.00 0.00 H new ATOM 711 N LYS B 15 -2.799 -2.825 -17.677 1.00 0.00 N ATOM 712 CA LYS B 15 -2.314 -2.130 -18.905 1.00 0.00 C ATOM 713 C LYS B 15 -1.422 -0.945 -18.523 1.00 0.00 C ATOM 714 O LYS B 15 -1.763 -0.167 -17.655 1.00 0.00 O ATOM 715 CB LYS B 15 -3.580 -1.643 -19.610 1.00 0.00 C ATOM 716 CG LYS B 15 -4.477 -0.917 -18.605 1.00 0.00 C ATOM 717 CD LYS B 15 -5.090 0.320 -19.267 1.00 0.00 C ATOM 718 CE LYS B 15 -6.030 1.014 -18.280 1.00 0.00 C ATOM 719 NZ LYS B 15 -7.366 0.404 -18.526 1.00 0.00 N ATOM 0 H LYS B 15 -3.066 -2.212 -16.907 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.719 -2.783 -19.543 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -3.318 -0.974 -20.429 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -4.114 -2.487 -20.046 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.265 -1.584 -18.257 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -3.897 -0.624 -17.729 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -4.303 1.006 -19.580 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -5.637 0.032 -20.165 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -5.708 0.856 -17.251 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -6.051 2.091 -18.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.065 0.830 -17.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -7.650 0.576 -19.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -7.317 -0.620 -18.353 1.00 0.00 H new ATOM 733 N PRO B 16 -0.303 -0.851 -19.189 1.00 0.00 N ATOM 734 CA PRO B 16 0.657 0.249 -18.918 1.00 0.00 C ATOM 735 C PRO B 16 0.117 1.577 -19.454 1.00 0.00 C ATOM 736 O PRO B 16 -0.673 1.613 -20.377 1.00 0.00 O ATOM 737 CB PRO B 16 1.911 -0.176 -19.677 1.00 0.00 C ATOM 738 CG PRO B 16 1.420 -1.081 -20.762 1.00 0.00 C ATOM 739 CD PRO B 16 0.171 -1.750 -20.247 1.00 0.00 C ATOM 0 HA PRO B 16 0.840 0.405 -17.855 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.434 0.687 -20.090 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.613 -0.691 -19.022 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.208 -0.515 -21.669 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.177 -1.822 -21.018 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.573 -1.866 -21.035 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.383 -2.746 -19.859 1.00 0.00 H new ATOM 747 N ILE B 17 0.538 2.670 -18.879 1.00 0.00 N ATOM 748 CA ILE B 17 0.054 3.999 -19.350 1.00 0.00 C ATOM 749 C ILE B 17 1.241 4.950 -19.525 1.00 0.00 C ATOM 750 O ILE B 17 2.384 4.551 -19.423 1.00 0.00 O ATOM 751 CB ILE B 17 -0.880 4.503 -18.248 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.740 3.350 -17.719 1.00 0.00 C ATOM 753 CG2 ILE B 17 -1.796 5.592 -18.811 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.506 3.815 -16.479 1.00 0.00 C ATOM 0 H ILE B 17 1.198 2.700 -18.102 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.456 3.937 -20.311 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.279 4.908 -17.434 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.438 3.019 -18.488 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.110 2.496 -17.472 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.461 5.950 -18.025 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.192 6.420 -19.181 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.389 5.182 -19.629 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.118 2.996 -16.101 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.799 4.124 -15.709 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.147 4.656 -16.742 1.00 0.00 H new ATOM 766 N TYR B 18 0.985 6.203 -19.786 1.00 0.00 N ATOM 767 CA TYR B 18 2.106 7.171 -19.963 1.00 0.00 C ATOM 768 C TYR B 18 1.564 8.601 -20.016 1.00 0.00 C ATOM 769 O TYR B 18 1.612 9.257 -21.038 1.00 0.00 O ATOM 770 CB TYR B 18 2.753 6.790 -21.296 1.00 0.00 C ATOM 771 CG TYR B 18 4.250 6.687 -21.119 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.781 6.089 -19.970 1.00 0.00 C ATOM 773 CD2 TYR B 18 5.105 7.191 -22.106 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.169 5.995 -19.808 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.493 7.096 -21.944 1.00 0.00 C ATOM 776 CZ TYR B 18 7.025 6.498 -20.796 1.00 0.00 C ATOM 777 OH TYR B 18 8.392 6.405 -20.636 1.00 0.00 O ATOM 0 H TYR B 18 0.050 6.598 -19.884 1.00 0.00 H new ATOM 0 HA TYR B 18 2.820 7.133 -19.140 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.352 5.840 -21.649 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.516 7.537 -22.054 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.121 5.700 -19.209 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.695 7.653 -22.992 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.579 5.535 -18.921 1.00 0.00 H new ATOM 0 HE2 TYR B 18 7.153 7.484 -22.705 1.00 0.00 H new ATOM 0 HH TYR B 18 8.840 6.801 -21.413 1.00 0.00 H new ATOM 787 N LYS B 19 1.049 9.091 -18.922 1.00 0.00 N ATOM 788 CA LYS B 19 0.504 10.479 -18.908 1.00 0.00 C ATOM 789 C LYS B 19 0.902 11.191 -17.612 1.00 0.00 C ATOM 790 O LYS B 19 1.785 10.757 -16.899 1.00 0.00 O ATOM 791 CB LYS B 19 -1.014 10.310 -18.984 1.00 0.00 C ATOM 792 CG LYS B 19 -1.454 10.298 -20.449 1.00 0.00 C ATOM 793 CD LYS B 19 -2.136 11.625 -20.788 1.00 0.00 C ATOM 794 CE LYS B 19 -1.210 12.466 -21.668 1.00 0.00 C ATOM 795 NZ LYS B 19 -2.055 12.894 -22.817 1.00 0.00 N ATOM 0 H LYS B 19 0.982 8.590 -18.036 1.00 0.00 H new ATOM 0 HA LYS B 19 0.888 11.082 -19.731 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.312 9.382 -18.496 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.508 11.123 -18.452 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -0.592 10.144 -21.098 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.139 9.469 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.077 11.440 -21.305 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.376 12.167 -19.873 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -0.820 13.326 -21.123 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -0.351 11.886 -22.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -1.489 13.476 -23.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -2.406 12.055 -23.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.861 13.450 -22.467 1.00 0.00 H new ATOM 809 N LYS B 20 0.255 12.282 -17.302 1.00 0.00 N ATOM 810 CA LYS B 20 0.592 13.022 -16.053 1.00 0.00 C ATOM 811 C LYS B 20 -0.113 14.382 -16.037 1.00 0.00 C ATOM 812 O LYS B 20 -0.947 14.668 -16.872 1.00 0.00 O ATOM 813 CB LYS B 20 2.111 13.206 -16.090 1.00 0.00 C ATOM 814 CG LYS B 20 2.744 12.477 -14.904 1.00 0.00 C ATOM 815 CD LYS B 20 4.205 12.908 -14.760 1.00 0.00 C ATOM 816 CE LYS B 20 4.437 13.464 -13.353 1.00 0.00 C ATOM 817 NZ LYS B 20 4.560 14.937 -13.539 1.00 0.00 N ATOM 0 H LYS B 20 -0.493 12.693 -17.861 1.00 0.00 H new ATOM 0 HA LYS B 20 0.271 12.486 -15.160 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.512 12.816 -17.026 1.00 0.00 H new ATOM 0 HB3 LYS B 20 2.360 14.266 -16.053 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.195 12.703 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS B 20 2.685 11.399 -15.053 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.865 12.060 -14.941 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.447 13.665 -15.506 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.608 13.217 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS B 20 5.339 13.045 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 4.721 15.391 -12.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.361 15.142 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 3.684 15.308 -13.960 1.00 0.00 H new ATOM 831 N ALA B 21 0.218 15.221 -15.095 1.00 0.00 N ATOM 832 CA ALA B 21 -0.433 16.561 -15.027 1.00 0.00 C ATOM 833 C ALA B 21 0.036 17.436 -16.194 1.00 0.00 C ATOM 834 O ALA B 21 1.184 17.827 -16.254 1.00 0.00 O ATOM 835 CB ALA B 21 0.024 17.156 -13.695 1.00 0.00 C ATOM 0 H ALA B 21 0.911 15.038 -14.369 1.00 0.00 H new ATOM 0 HA ALA B 21 -1.519 16.497 -15.094 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.414 18.146 -13.570 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.299 16.510 -12.878 1.00 0.00 H new ATOM 0 HB3 ALA B 21 1.111 17.236 -13.686 1.00 0.00 H new ATOM 841 N PRO B 22 -0.877 17.714 -17.086 1.00 0.00 N ATOM 842 CA PRO B 22 -0.557 18.552 -18.269 1.00 0.00 C ATOM 843 C PRO B 22 -0.391 20.017 -17.855 1.00 0.00 C ATOM 844 O PRO B 22 -1.354 20.716 -17.611 1.00 0.00 O ATOM 845 CB PRO B 22 -1.774 18.376 -19.172 1.00 0.00 C ATOM 846 CG PRO B 22 -2.891 18.004 -18.249 1.00 0.00 C ATOM 847 CD PRO B 22 -2.277 17.278 -17.080 1.00 0.00 C ATOM 0 HA PRO B 22 0.374 18.267 -18.758 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -1.999 19.294 -19.714 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -1.603 17.600 -19.918 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -3.425 18.893 -17.913 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -3.616 17.370 -18.758 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.772 17.538 -16.144 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.359 16.197 -17.194 1.00 0.00 H new ATOM 855 N THR B 23 0.825 20.487 -17.775 1.00 0.00 N ATOM 856 CA THR B 23 1.053 21.904 -17.377 1.00 0.00 C ATOM 857 C THR B 23 0.045 22.821 -18.076 1.00 0.00 C ATOM 858 O THR B 23 -0.595 22.438 -19.034 1.00 0.00 O ATOM 859 CB THR B 23 2.476 22.221 -17.840 1.00 0.00 C ATOM 860 OG1 THR B 23 3.402 21.483 -17.054 1.00 0.00 O ATOM 861 CG2 THR B 23 2.746 23.717 -17.679 1.00 0.00 C ATOM 0 H THR B 23 1.670 19.950 -17.968 1.00 0.00 H new ATOM 0 HA THR B 23 0.929 22.056 -16.305 1.00 0.00 H new ATOM 0 HB THR B 23 2.587 21.946 -18.889 1.00 0.00 H new ATOM 0 HG1 THR B 23 4.315 21.683 -17.350 1.00 0.00 H new ATOM 0 HG21 THR B 23 3.760 23.941 -18.009 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.035 24.282 -18.282 1.00 0.00 H new ATOM 0 HG23 THR B 23 2.636 23.996 -16.631 1.00 0.00 H new ATOM 869 N ASN B 24 -0.101 24.028 -17.603 1.00 0.00 N ATOM 870 CA ASN B 24 -1.067 24.968 -18.241 1.00 0.00 C ATOM 871 C ASN B 24 -0.318 26.037 -19.039 1.00 0.00 C ATOM 872 O ASN B 24 0.887 26.167 -18.944 1.00 0.00 O ATOM 873 CB ASN B 24 -1.829 25.603 -17.077 1.00 0.00 C ATOM 874 CG ASN B 24 -3.259 25.924 -17.517 1.00 0.00 C ATOM 875 OD1 ASN B 24 -3.757 27.003 -17.263 1.00 0.00 O ATOM 876 ND2 ASN B 24 -3.944 25.027 -18.172 1.00 0.00 N ATOM 0 H ASN B 24 0.407 24.405 -16.802 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.735 24.463 -18.938 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.843 24.924 -16.224 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.325 26.513 -16.751 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -4.898 25.231 -18.471 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -3.526 24.121 -18.385 1.00 0.00 H new ATOM 883 N GLU B 25 -1.020 26.804 -19.827 1.00 0.00 N ATOM 884 CA GLU B 25 -0.347 27.864 -20.630 1.00 0.00 C ATOM 885 C GLU B 25 -0.834 29.248 -20.194 1.00 0.00 C ATOM 886 O GLU B 25 -1.188 29.461 -19.052 1.00 0.00 O ATOM 887 CB GLU B 25 -0.754 27.583 -22.077 1.00 0.00 C ATOM 888 CG GLU B 25 0.489 27.589 -22.970 1.00 0.00 C ATOM 889 CD GLU B 25 0.497 28.857 -23.827 1.00 0.00 C ATOM 890 OE1 GLU B 25 0.983 29.868 -23.349 1.00 0.00 O ATOM 891 OE2 GLU B 25 0.016 28.794 -24.946 1.00 0.00 O ATOM 0 H GLU B 25 -2.031 26.743 -19.950 1.00 0.00 H new ATOM 0 HA GLU B 25 0.735 27.854 -20.502 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -1.257 26.618 -22.143 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -1.463 28.337 -22.419 1.00 0.00 H new ATOM 0 HG2 GLU B 25 1.390 27.546 -22.358 1.00 0.00 H new ATOM 0 HG3 GLU B 25 0.495 26.706 -23.609 1.00 0.00 H new ATOM 898 N PHE B 26 -0.854 30.192 -21.096 1.00 0.00 N ATOM 899 CA PHE B 26 -1.318 31.562 -20.733 1.00 0.00 C ATOM 900 C PHE B 26 -2.832 31.678 -20.935 1.00 0.00 C ATOM 901 O PHE B 26 -3.473 30.774 -21.431 1.00 0.00 O ATOM 902 CB PHE B 26 -0.576 32.497 -21.686 1.00 0.00 C ATOM 903 CG PHE B 26 -0.874 33.931 -21.318 1.00 0.00 C ATOM 904 CD1 PHE B 26 -0.197 34.537 -20.253 1.00 0.00 C ATOM 905 CD2 PHE B 26 -1.829 34.656 -22.043 1.00 0.00 C ATOM 906 CE1 PHE B 26 -0.474 35.866 -19.913 1.00 0.00 C ATOM 907 CE2 PHE B 26 -2.107 35.985 -21.702 1.00 0.00 C ATOM 908 CZ PHE B 26 -1.428 36.590 -20.637 1.00 0.00 C ATOM 0 H PHE B 26 -0.569 30.074 -22.068 1.00 0.00 H new ATOM 0 HA PHE B 26 -1.118 31.803 -19.689 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.497 32.312 -21.632 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -0.882 32.303 -22.714 1.00 0.00 H new ATOM 0 HD1 PHE B 26 0.539 33.979 -19.694 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -2.351 34.189 -22.865 1.00 0.00 H new ATOM 0 HE1 PHE B 26 0.049 36.333 -19.091 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -2.844 36.543 -22.260 1.00 0.00 H new ATOM 0 HZ PHE B 26 -1.641 37.616 -20.374 1.00 0.00 H new ATOM 918 N TYR B 27 -3.407 32.786 -20.555 1.00 0.00 N ATOM 919 CA TYR B 27 -4.878 32.959 -20.725 1.00 0.00 C ATOM 920 C TYR B 27 -5.177 33.659 -22.053 1.00 0.00 C ATOM 921 O TYR B 27 -5.598 33.041 -23.011 1.00 0.00 O ATOM 922 CB TYR B 27 -5.314 33.833 -19.549 1.00 0.00 C ATOM 923 CG TYR B 27 -6.409 33.134 -18.781 1.00 0.00 C ATOM 924 CD1 TYR B 27 -7.654 32.912 -19.382 1.00 0.00 C ATOM 925 CD2 TYR B 27 -6.181 32.709 -17.466 1.00 0.00 C ATOM 926 CE1 TYR B 27 -8.670 32.264 -18.670 1.00 0.00 C ATOM 927 CE2 TYR B 27 -7.198 32.060 -16.754 1.00 0.00 C ATOM 928 CZ TYR B 27 -8.442 31.839 -17.356 1.00 0.00 C ATOM 929 OH TYR B 27 -9.443 31.199 -16.654 1.00 0.00 O ATOM 0 H TYR B 27 -2.922 33.579 -20.134 1.00 0.00 H new ATOM 0 HA TYR B 27 -5.406 32.006 -20.741 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -4.465 34.030 -18.894 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -5.668 34.798 -19.911 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -7.830 33.241 -20.395 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -5.222 32.882 -17.001 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -9.630 32.092 -19.134 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -7.022 31.730 -15.741 1.00 0.00 H new ATOM 0 HH TYR B 27 -9.119 30.970 -15.758 1.00 0.00 H new ATOM 939 N ALA B 28 -4.963 34.944 -22.120 1.00 0.00 N ATOM 940 CA ALA B 28 -5.236 35.683 -23.387 1.00 0.00 C ATOM 941 C ALA B 28 -4.895 37.166 -23.219 1.00 0.00 C ATOM 942 O ALA B 28 -4.783 37.603 -22.085 1.00 0.00 O ATOM 943 CB ALA B 28 -6.733 35.500 -23.636 1.00 0.00 C ATOM 944 OXT ALA B 28 -4.752 37.838 -24.226 1.00 0.00 O ATOM 0 H ALA B 28 -4.611 35.516 -21.352 1.00 0.00 H new ATOM 0 HA ALA B 28 -4.637 35.313 -24.219 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -7.015 36.016 -24.554 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.959 34.438 -23.733 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -7.294 35.915 -22.799 1.00 0.00 H new TER 950 ALA B 28