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+ 179:sc= 0 (180deg=-0.00173) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -1.87! (180deg=-3.13!) USER MOD Single : A 5 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0854) 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+ -157:sc= -0.0579 (180deg=-0.823) 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 -6:sc= 0.449 USER MOD Single : A 24 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.0049) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 179:sc= 0 (180deg=-0.000399) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 147:sc= -1.9! (180deg=-3.37!) USER MOD Single : B 5 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.101) 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+ -158:sc= -0.0422 (180deg=-0.759) 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 -3:sc= 0.458 USER MOD Single : B 24 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.0064) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.002 -23.321 -24.952 1.00 0.00 N ATOM 2 CA ARG A 1 5.598 -23.383 -25.448 1.00 0.00 C ATOM 3 C ARG A 1 5.579 -23.457 -26.978 1.00 0.00 C ATOM 4 O ARG A 1 4.828 -22.763 -27.633 1.00 0.00 O ATOM 5 CB ARG A 1 4.952 -22.083 -24.968 1.00 0.00 C ATOM 6 CG ARG A 1 4.059 -22.371 -23.761 1.00 0.00 C ATOM 7 CD ARG A 1 4.076 -21.169 -22.814 1.00 0.00 C ATOM 8 NE ARG A 1 3.077 -21.497 -21.760 1.00 0.00 N ATOM 9 CZ ARG A 1 2.332 -20.554 -21.251 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.277 -20.135 -21.895 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.641 -20.029 -20.096 1.00 0.00 N ATOM 0 H1 ARG A 1 7.001 -23.254 -23.914 1.00 0.00 H new ATOM 0 H2 ARG A 1 7.511 -24.180 -25.243 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.475 -22.486 -25.352 1.00 0.00 H new ATOM 0 HA ARG A 1 5.069 -24.263 -25.081 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.722 -21.360 -24.699 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.364 -21.639 -25.771 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.040 -22.574 -24.090 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.409 -23.262 -23.241 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.067 -21.018 -22.386 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.811 -20.250 -23.337 1.00 0.00 H new ATOM 0 HE ARG A 1 2.975 -22.459 -21.436 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.034 -20.545 -22.797 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.695 -19.398 -21.496 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.465 -20.356 -19.591 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.058 -19.292 -19.699 1.00 0.00 H new ATOM 27 N MET A 2 6.401 -24.294 -27.550 1.00 0.00 N ATOM 28 CA MET A 2 6.430 -24.411 -29.036 1.00 0.00 C ATOM 29 C MET A 2 5.790 -25.730 -29.477 1.00 0.00 C ATOM 30 O MET A 2 6.233 -26.800 -29.110 1.00 0.00 O ATOM 31 CB MET A 2 7.914 -24.386 -29.404 1.00 0.00 C ATOM 32 CG MET A 2 8.062 -24.180 -30.912 1.00 0.00 C ATOM 33 SD MET A 2 8.359 -25.776 -31.714 1.00 0.00 S ATOM 34 CE MET A 2 10.017 -25.411 -32.340 1.00 0.00 C ATOM 0 H MET A 2 7.053 -24.901 -27.053 1.00 0.00 H new ATOM 0 HA MET A 2 5.874 -23.611 -29.524 1.00 0.00 H new ATOM 0 HB2 MET A 2 8.420 -23.585 -28.865 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.389 -25.320 -29.105 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.161 -23.720 -31.317 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.888 -23.499 -31.117 1.00 0.00 H new ATOM 0 HE1 MET A 2 10.401 -26.277 -32.880 1.00 0.00 H new ATOM 0 HE2 MET A 2 9.971 -24.555 -33.013 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.679 -25.181 -31.505 1.00 0.00 H new ATOM 44 N LYS A 3 4.750 -25.662 -30.263 1.00 0.00 N ATOM 45 CA LYS A 3 4.082 -26.912 -30.727 1.00 0.00 C ATOM 46 C LYS A 3 3.924 -27.893 -29.562 1.00 0.00 C ATOM 47 O LYS A 3 4.418 -29.003 -29.601 1.00 0.00 O ATOM 48 CB LYS A 3 5.019 -27.490 -31.790 1.00 0.00 C ATOM 49 CG LYS A 3 4.280 -27.580 -33.126 1.00 0.00 C ATOM 50 CD LYS A 3 5.257 -28.010 -34.222 1.00 0.00 C ATOM 51 CE LYS A 3 4.552 -27.973 -35.579 1.00 0.00 C ATOM 52 NZ LYS A 3 5.366 -28.857 -36.459 1.00 0.00 N ATOM 0 H LYS A 3 4.334 -24.795 -30.604 1.00 0.00 H new ATOM 0 HA LYS A 3 3.083 -26.724 -31.121 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.903 -26.860 -31.893 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.365 -28.478 -31.486 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.461 -28.295 -33.053 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.839 -26.615 -33.375 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.123 -27.348 -34.232 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.627 -29.015 -34.020 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.525 -28.331 -35.501 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.506 -26.958 -35.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.945 -28.883 -37.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.336 -28.488 -36.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.386 -29.818 -36.063 1.00 0.00 H new ATOM 66 N LYS A 4 3.240 -27.492 -28.526 1.00 0.00 N ATOM 67 CA LYS A 4 3.050 -28.402 -27.360 1.00 0.00 C ATOM 68 C LYS A 4 1.643 -28.232 -26.779 1.00 0.00 C ATOM 69 O LYS A 4 1.332 -28.743 -25.722 1.00 0.00 O ATOM 70 CB LYS A 4 4.105 -27.967 -26.342 1.00 0.00 C ATOM 71 CG LYS A 4 3.942 -26.476 -26.042 1.00 0.00 C ATOM 72 CD LYS A 4 3.262 -26.300 -24.682 1.00 0.00 C ATOM 73 CE LYS A 4 2.561 -24.941 -24.633 1.00 0.00 C ATOM 74 NZ LYS A 4 2.277 -24.708 -23.189 1.00 0.00 N ATOM 0 H LYS A 4 2.804 -26.574 -28.436 1.00 0.00 H new ATOM 0 HA LYS A 4 3.156 -29.452 -27.635 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.001 -28.547 -25.425 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.104 -28.163 -26.732 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.916 -25.986 -26.040 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.348 -26.000 -26.822 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.540 -27.100 -24.519 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.000 -26.369 -23.883 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.195 -24.155 -25.043 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.643 -24.949 -25.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.168 -23.688 -23.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.400 -25.200 -22.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.065 -25.073 -22.617 1.00 0.00 H new ATOM 88 N LYS A 5 0.792 -27.517 -27.463 1.00 0.00 N ATOM 89 CA LYS A 5 -0.593 -27.314 -26.950 1.00 0.00 C ATOM 90 C LYS A 5 -0.559 -26.934 -25.467 1.00 0.00 C ATOM 91 O LYS A 5 0.491 -26.714 -24.897 1.00 0.00 O ATOM 92 CB LYS A 5 -1.286 -28.664 -27.142 1.00 0.00 C ATOM 93 CG LYS A 5 -2.543 -28.476 -27.992 1.00 0.00 C ATOM 94 CD LYS A 5 -3.634 -29.434 -27.510 1.00 0.00 C ATOM 95 CE LYS A 5 -3.994 -30.408 -28.635 1.00 0.00 C ATOM 96 NZ LYS A 5 -2.838 -31.340 -28.719 1.00 0.00 N ATOM 0 H LYS A 5 0.996 -27.065 -28.354 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.113 -26.510 -27.471 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.608 -29.367 -27.627 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.549 -29.091 -26.174 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.892 -27.446 -27.921 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.317 -28.664 -29.041 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.288 -29.985 -26.635 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.517 -28.872 -27.205 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.918 -30.943 -28.414 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.148 -29.883 -29.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.375 -31.236 -29.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.158 -31.118 -27.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.172 -32.319 -28.608 1.00 0.00 H new ATOM 110 N ASP A 6 -1.700 -26.856 -24.838 1.00 0.00 N ATOM 111 CA ASP A 6 -1.733 -26.491 -23.392 1.00 0.00 C ATOM 112 C ASP A 6 -1.268 -25.044 -23.200 1.00 0.00 C ATOM 113 O ASP A 6 -0.162 -24.684 -23.554 1.00 0.00 O ATOM 114 CB ASP A 6 -0.761 -27.460 -22.716 1.00 0.00 C ATOM 115 CG ASP A 6 -1.368 -27.959 -21.403 1.00 0.00 C ATOM 116 OD1 ASP A 6 -1.443 -27.174 -20.472 1.00 0.00 O ATOM 117 OD2 ASP A 6 -1.744 -29.118 -21.350 1.00 0.00 O ATOM 0 H ASP A 6 -2.611 -27.029 -25.262 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.736 -26.560 -22.972 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.553 -28.302 -23.376 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.190 -26.963 -22.524 1.00 0.00 H new ATOM 122 N GLU A 7 -2.104 -24.212 -22.640 1.00 0.00 N ATOM 123 CA GLU A 7 -1.711 -22.789 -22.424 1.00 0.00 C ATOM 124 C GLU A 7 -1.796 -22.438 -20.937 1.00 0.00 C ATOM 125 O GLU A 7 -1.941 -23.301 -20.094 1.00 0.00 O ATOM 126 CB GLU A 7 -2.727 -21.972 -23.225 1.00 0.00 C ATOM 127 CG GLU A 7 -4.126 -22.187 -22.647 1.00 0.00 C ATOM 128 CD GLU A 7 -4.786 -23.383 -23.337 1.00 0.00 C ATOM 129 OE1 GLU A 7 -5.414 -23.177 -24.362 1.00 0.00 O ATOM 130 OE2 GLU A 7 -4.650 -24.484 -22.830 1.00 0.00 O ATOM 0 H GLU A 7 -3.042 -24.456 -22.323 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.687 -22.591 -22.740 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.467 -20.914 -23.191 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.705 -22.272 -24.273 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.064 -22.362 -21.573 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.731 -21.292 -22.790 1.00 0.00 H new ATOM 137 N GLY A 8 -1.706 -21.179 -20.606 1.00 0.00 N ATOM 138 CA GLY A 8 -1.783 -20.780 -19.174 1.00 0.00 C ATOM 139 C GLY A 8 -3.189 -20.269 -18.864 1.00 0.00 C ATOM 140 O GLY A 8 -4.148 -21.013 -18.879 1.00 0.00 O ATOM 0 H GLY A 8 -1.583 -20.411 -21.265 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.544 -21.630 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.047 -20.004 -18.961 1.00 0.00 H new ATOM 144 N SER A 9 -3.319 -19.003 -18.585 1.00 0.00 N ATOM 145 CA SER A 9 -4.665 -18.444 -18.277 1.00 0.00 C ATOM 146 C SER A 9 -4.600 -16.917 -18.174 1.00 0.00 C ATOM 147 O SER A 9 -3.629 -16.299 -18.566 1.00 0.00 O ATOM 148 CB SER A 9 -5.046 -19.052 -16.928 1.00 0.00 C ATOM 149 OG SER A 9 -6.429 -19.382 -16.933 1.00 0.00 O ATOM 0 H SER A 9 -2.552 -18.331 -18.557 1.00 0.00 H new ATOM 0 HA SER A 9 -5.393 -18.678 -19.054 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.449 -19.943 -16.737 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.832 -18.347 -16.125 1.00 0.00 H new ATOM 0 HG SER A 9 -6.675 -19.774 -16.069 1.00 0.00 H new ATOM 155 N TYR A 10 -5.625 -16.309 -17.645 1.00 0.00 N ATOM 156 CA TYR A 10 -5.630 -14.824 -17.505 1.00 0.00 C ATOM 157 C TYR A 10 -5.045 -14.164 -18.759 1.00 0.00 C ATOM 158 O TYR A 10 -4.910 -14.785 -19.794 1.00 0.00 O ATOM 159 CB TYR A 10 -4.747 -14.538 -16.291 1.00 0.00 C ATOM 160 CG TYR A 10 -5.475 -13.617 -15.341 1.00 0.00 C ATOM 161 CD1 TYR A 10 -6.402 -12.690 -15.835 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.226 -13.690 -13.966 1.00 0.00 C ATOM 163 CE1 TYR A 10 -7.077 -11.837 -14.955 1.00 0.00 C ATOM 164 CE2 TYR A 10 -5.901 -12.837 -13.084 1.00 0.00 C ATOM 165 CZ TYR A 10 -6.827 -11.911 -13.579 1.00 0.00 C ATOM 166 OH TYR A 10 -7.493 -11.071 -12.711 1.00 0.00 O ATOM 0 H TYR A 10 -6.463 -16.778 -17.302 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.638 -14.428 -17.382 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.492 -15.470 -15.786 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.810 -14.081 -16.610 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.596 -12.634 -16.896 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.512 -14.405 -13.584 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.791 -11.122 -15.337 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.707 -12.893 -12.023 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.204 -11.254 -11.793 1.00 0.00 H new ATOM 176 N ASP A 11 -4.700 -12.909 -18.670 1.00 0.00 N ATOM 177 CA ASP A 11 -4.126 -12.206 -19.850 1.00 0.00 C ATOM 178 C ASP A 11 -3.581 -10.835 -19.434 1.00 0.00 C ATOM 179 O ASP A 11 -2.386 -10.623 -19.377 1.00 0.00 O ATOM 180 CB ASP A 11 -5.294 -12.043 -20.821 1.00 0.00 C ATOM 181 CG ASP A 11 -5.178 -13.082 -21.938 1.00 0.00 C ATOM 182 OD1 ASP A 11 -4.377 -12.871 -22.835 1.00 0.00 O ATOM 183 OD2 ASP A 11 -5.890 -14.071 -21.879 1.00 0.00 O ATOM 0 H ASP A 11 -4.791 -12.340 -17.829 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.298 -12.757 -20.296 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.240 -12.165 -20.293 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.292 -11.038 -21.243 1.00 0.00 H new ATOM 188 N LEU A 12 -4.449 -9.906 -19.139 1.00 1.05 N ATOM 189 CA LEU A 12 -3.983 -8.551 -18.724 1.00 0.91 C ATOM 190 C LEU A 12 -2.843 -8.081 -19.630 1.00 0.80 C ATOM 191 O LEU A 12 -2.563 -8.675 -20.652 1.00 0.94 O ATOM 192 CB LEU A 12 -3.486 -8.727 -17.287 1.00 1.05 C ATOM 193 CG LEU A 12 -4.497 -9.557 -16.494 1.00 2.06 C ATOM 194 CD1 LEU A 12 -3.827 -10.839 -15.995 1.00 2.72 C ATOM 195 CD2 LEU A 12 -4.997 -8.744 -15.298 1.00 2.67 C ATOM 0 H LEU A 12 -5.461 -10.026 -19.167 1.00 1.05 H new ATOM 0 HA LEU A 12 -4.773 -7.804 -18.795 1.00 0.91 H new ATOM 0 HB2 LEU A 12 -2.514 -9.220 -17.285 1.00 1.05 H new ATOM 0 HB3 LEU A 12 -3.350 -7.753 -16.816 1.00 1.05 H new ATOM 0 HG LEU A 12 -5.339 -9.814 -17.137 1.00 2.06 H new ATOM 0 HD11 LEU A 12 -4.548 -11.430 -15.430 1.00 2.72 H new ATOM 0 HD12 LEU A 12 -3.471 -11.419 -16.847 1.00 2.72 H new ATOM 0 HD13 LEU A 12 -2.985 -10.583 -15.352 1.00 2.72 H new ATOM 0 HD21 LEU A 12 -5.718 -9.335 -14.732 1.00 2.67 H new ATOM 0 HD22 LEU A 12 -4.155 -8.486 -14.656 1.00 2.67 H new ATOM 0 HD23 LEU A 12 -5.475 -7.831 -15.653 1.00 2.67 H new ATOM 207 N GLY A 13 -2.182 -7.017 -19.262 1.00 0.73 N ATOM 208 CA GLY A 13 -1.061 -6.508 -20.103 1.00 0.71 C ATOM 209 C GLY A 13 0.258 -6.667 -19.344 1.00 0.64 C ATOM 210 O GLY A 13 1.054 -7.536 -19.641 1.00 0.74 O ATOM 0 H GLY A 13 -2.370 -6.479 -18.416 1.00 0.73 H new ATOM 0 HA2 GLY A 13 -1.020 -7.056 -21.044 1.00 0.71 H new ATOM 0 HA3 GLY A 13 -1.226 -5.460 -20.352 1.00 0.71 H new ATOM 214 N LYS A 14 0.498 -5.835 -18.368 1.00 0.53 N ATOM 215 CA LYS A 14 1.765 -5.941 -17.592 1.00 0.52 C ATOM 216 C LYS A 14 1.713 -5.034 -16.359 1.00 0.47 C ATOM 217 O LYS A 14 1.242 -5.424 -15.309 1.00 0.83 O ATOM 218 CB LYS A 14 2.858 -5.479 -18.557 1.00 0.58 C ATOM 219 CG LYS A 14 4.197 -5.416 -17.821 1.00 1.11 C ATOM 220 CD LYS A 14 5.198 -4.610 -18.652 1.00 1.42 C ATOM 221 CE LYS A 14 5.236 -5.160 -20.080 1.00 1.93 C ATOM 222 NZ LYS A 14 5.712 -6.564 -19.936 1.00 2.37 N ATOM 0 H LYS A 14 -0.129 -5.086 -18.075 1.00 0.53 H new ATOM 0 HA LYS A 14 1.943 -6.953 -17.228 1.00 0.52 H new ATOM 0 HB2 LYS A 14 2.927 -6.166 -19.401 1.00 0.58 H new ATOM 0 HB3 LYS A 14 2.608 -4.499 -18.964 1.00 0.58 H new ATOM 0 HG2 LYS A 14 4.065 -4.954 -16.843 1.00 1.11 H new ATOM 0 HG3 LYS A 14 4.578 -6.423 -17.649 1.00 1.11 H new ATOM 0 HD2 LYS A 14 4.913 -3.558 -18.664 1.00 1.42 H new ATOM 0 HD3 LYS A 14 6.189 -4.667 -18.202 1.00 1.42 H new ATOM 0 HE2 LYS A 14 4.251 -5.122 -20.544 1.00 1.93 H new ATOM 0 HE3 LYS A 14 5.908 -4.577 -20.710 1.00 1.93 H new ATOM 0 HZ1 LYS A 14 6.132 -6.882 -20.833 1.00 2.37 H new ATOM 0 HZ2 LYS A 14 6.427 -6.613 -19.182 1.00 2.37 H new ATOM 0 HZ3 LYS A 14 4.910 -7.179 -19.692 1.00 2.37 H new ATOM 236 N LYS A 15 2.192 -3.826 -16.477 1.00 0.48 N ATOM 237 CA LYS A 15 2.169 -2.897 -15.310 1.00 0.47 C ATOM 238 C LYS A 15 1.624 -1.529 -15.734 1.00 0.35 C ATOM 239 O LYS A 15 2.063 -0.963 -16.714 1.00 0.35 O ATOM 240 CB LYS A 15 3.629 -2.778 -14.874 1.00 0.61 C ATOM 241 CG LYS A 15 4.052 -4.056 -14.148 1.00 1.06 C ATOM 242 CD LYS A 15 5.142 -3.726 -13.127 1.00 1.42 C ATOM 243 CE LYS A 15 5.333 -4.915 -12.182 1.00 2.20 C ATOM 244 NZ LYS A 15 6.711 -4.755 -11.639 1.00 2.60 N ATOM 0 H LYS A 15 2.598 -3.442 -17.330 1.00 0.48 H new ATOM 0 HA LYS A 15 1.529 -3.259 -14.505 1.00 0.47 H new ATOM 0 HB2 LYS A 15 4.266 -2.613 -15.743 1.00 0.61 H new ATOM 0 HB3 LYS A 15 3.754 -1.916 -14.218 1.00 0.61 H new ATOM 0 HG2 LYS A 15 3.193 -4.504 -13.647 1.00 1.06 H new ATOM 0 HG3 LYS A 15 4.421 -4.789 -14.865 1.00 1.06 H new ATOM 0 HD2 LYS A 15 6.078 -3.500 -13.638 1.00 1.42 H new ATOM 0 HD3 LYS A 15 4.866 -2.837 -12.559 1.00 1.42 H new ATOM 0 HE2 LYS A 15 4.591 -4.909 -11.384 1.00 2.20 H new ATOM 0 HE3 LYS A 15 5.224 -5.862 -12.711 1.00 2.20 H new ATOM 0 HZ1 LYS A 15 6.918 -5.534 -10.981 1.00 2.60 H new ATOM 0 HZ2 LYS A 15 7.396 -4.771 -12.421 1.00 2.60 H new ATOM 0 HZ3 LYS A 15 6.782 -3.848 -11.135 1.00 2.60 H new ATOM 258 N PRO A 16 0.676 -1.045 -14.975 1.00 0.33 N ATOM 259 CA PRO A 16 0.061 0.269 -15.274 1.00 0.29 C ATOM 260 C PRO A 16 1.024 1.405 -14.918 1.00 0.31 C ATOM 261 O PRO A 16 1.229 1.717 -13.761 1.00 0.63 O ATOM 262 CB PRO A 16 -1.170 0.302 -14.375 1.00 0.39 C ATOM 263 CG PRO A 16 -0.853 -0.629 -13.246 1.00 0.45 C ATOM 264 CD PRO A 16 0.097 -1.670 -13.782 1.00 0.43 C ATOM 0 HA PRO A 16 -0.183 0.396 -16.329 1.00 0.29 H new ATOM 0 HB2 PRO A 16 -1.366 1.311 -14.011 1.00 0.39 H new ATOM 0 HB3 PRO A 16 -2.061 -0.021 -14.914 1.00 0.39 H new ATOM 0 HG2 PRO A 16 -0.401 -0.087 -12.415 1.00 0.45 H new ATOM 0 HG3 PRO A 16 -1.761 -1.096 -12.866 1.00 0.45 H new ATOM 0 HD2 PRO A 16 0.865 -1.922 -13.051 1.00 0.43 H new ATOM 0 HD3 PRO A 16 -0.424 -2.595 -14.029 1.00 0.43 H new ATOM 272 N ILE A 17 1.615 2.026 -15.901 1.00 0.39 N ATOM 273 CA ILE A 17 2.563 3.143 -15.616 1.00 0.38 C ATOM 274 C ILE A 17 1.819 4.482 -15.625 1.00 0.37 C ATOM 275 O ILE A 17 0.616 4.534 -15.781 1.00 0.54 O ATOM 276 CB ILE A 17 3.590 3.097 -16.746 1.00 0.46 C ATOM 277 CG1 ILE A 17 3.965 1.643 -17.046 1.00 0.57 C ATOM 278 CG2 ILE A 17 4.843 3.868 -16.328 1.00 1.00 C ATOM 279 CD1 ILE A 17 3.272 1.193 -18.333 1.00 0.79 C ATOM 0 H ILE A 17 1.484 1.810 -16.889 1.00 0.39 H new ATOM 0 HA ILE A 17 3.032 3.043 -14.637 1.00 0.38 H new ATOM 0 HB ILE A 17 3.161 3.551 -17.639 1.00 0.46 H new ATOM 0 HG12 ILE A 17 5.046 1.549 -17.150 1.00 0.57 H new ATOM 0 HG13 ILE A 17 3.668 1.001 -16.217 1.00 0.57 H new ATOM 0 HG21 ILE A 17 5.576 3.835 -17.134 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.579 4.905 -16.119 1.00 1.00 H new ATOM 0 HG23 ILE A 17 5.268 3.414 -15.433 1.00 1.00 H new ATOM 0 HD11 ILE A 17 3.539 0.158 -18.547 1.00 0.79 H new ATOM 0 HD12 ILE A 17 2.192 1.272 -18.211 1.00 0.79 H new ATOM 0 HD13 ILE A 17 3.591 1.828 -19.159 1.00 0.79 H new ATOM 291 N TYR A 18 2.527 5.566 -15.459 1.00 0.38 N ATOM 292 CA TYR A 18 1.861 6.900 -15.461 1.00 0.39 C ATOM 293 C TYR A 18 2.910 8.014 -15.499 1.00 0.40 C ATOM 294 O TYR A 18 3.140 8.699 -14.521 1.00 0.61 O ATOM 295 CB TYR A 18 1.074 6.950 -14.151 1.00 0.54 C ATOM 296 CG TYR A 18 -0.172 7.780 -14.344 1.00 0.58 C ATOM 297 CD1 TYR A 18 -1.125 7.401 -15.298 1.00 1.21 C ATOM 298 CD2 TYR A 18 -0.375 8.930 -13.572 1.00 1.46 C ATOM 299 CE1 TYR A 18 -2.281 8.171 -15.478 1.00 1.29 C ATOM 300 CE2 TYR A 18 -1.530 9.700 -13.751 1.00 1.56 C ATOM 301 CZ TYR A 18 -2.482 9.321 -14.704 1.00 0.91 C ATOM 302 OH TYR A 18 -3.621 10.081 -14.881 1.00 1.12 O ATOM 0 H TYR A 18 3.538 5.586 -15.322 1.00 0.38 H new ATOM 0 HA TYR A 18 1.218 7.040 -16.330 1.00 0.39 H new ATOM 0 HB2 TYR A 18 0.807 5.941 -13.836 1.00 0.54 H new ATOM 0 HB3 TYR A 18 1.690 7.378 -13.360 1.00 0.54 H new ATOM 0 HD1 TYR A 18 -0.968 6.515 -15.895 1.00 1.21 H new ATOM 0 HD2 TYR A 18 0.360 9.223 -12.837 1.00 1.46 H new ATOM 0 HE1 TYR A 18 -3.017 7.878 -16.213 1.00 1.29 H new ATOM 0 HE2 TYR A 18 -1.686 10.586 -13.154 1.00 1.56 H new ATOM 0 HH TYR A 18 -3.605 10.843 -14.265 1.00 1.12 H new ATOM 312 N LYS A 19 3.550 8.202 -16.622 1.00 0.31 N ATOM 313 CA LYS A 19 4.583 9.274 -16.720 1.00 0.40 C ATOM 314 C LYS A 19 4.365 10.109 -17.985 1.00 0.35 C ATOM 315 O LYS A 19 3.798 9.646 -18.956 1.00 0.71 O ATOM 316 CB LYS A 19 5.918 8.530 -16.794 1.00 0.64 C ATOM 317 CG LYS A 19 7.062 9.506 -16.513 1.00 1.13 C ATOM 318 CD LYS A 19 7.396 9.482 -15.020 1.00 1.42 C ATOM 319 CE LYS A 19 8.349 10.635 -14.693 1.00 1.78 C ATOM 320 NZ LYS A 19 9.276 10.086 -13.666 1.00 2.07 N ATOM 0 H LYS A 19 3.403 7.661 -17.474 1.00 0.31 H new ATOM 0 HA LYS A 19 4.544 9.962 -15.876 1.00 0.40 H new ATOM 0 HB2 LYS A 19 5.934 7.716 -16.069 1.00 0.64 H new ATOM 0 HB3 LYS A 19 6.042 8.081 -17.780 1.00 0.64 H new ATOM 0 HG2 LYS A 19 7.940 9.232 -17.098 1.00 1.13 H new ATOM 0 HG3 LYS A 19 6.778 10.513 -16.817 1.00 1.13 H new ATOM 0 HD2 LYS A 19 6.484 9.572 -14.431 1.00 1.42 H new ATOM 0 HD3 LYS A 19 7.855 8.530 -14.754 1.00 1.42 H new ATOM 0 HE2 LYS A 19 8.891 10.963 -15.580 1.00 1.78 H new ATOM 0 HE3 LYS A 19 7.806 11.501 -14.313 1.00 1.78 H new ATOM 0 HZ1 LYS A 19 9.961 10.818 -13.390 1.00 2.07 H new ATOM 0 HZ2 LYS A 19 8.732 9.788 -12.831 1.00 2.07 H new ATOM 0 HZ3 LYS A 19 9.783 9.267 -14.058 1.00 2.07 H new ATOM 334 N LYS A 20 4.810 11.336 -17.980 1.00 0.52 N ATOM 335 CA LYS A 20 4.631 12.202 -19.181 1.00 0.62 C ATOM 336 C LYS A 20 5.020 13.647 -18.854 1.00 1.17 C ATOM 337 O LYS A 20 4.548 14.224 -17.895 1.00 1.89 O ATOM 338 CB LYS A 20 3.141 12.113 -19.517 1.00 0.77 C ATOM 339 CG LYS A 20 2.968 11.526 -20.919 1.00 0.78 C ATOM 340 CD LYS A 20 2.172 12.504 -21.787 1.00 1.38 C ATOM 341 CE LYS A 20 2.706 12.467 -23.220 1.00 1.49 C ATOM 342 NZ LYS A 20 2.468 13.836 -23.754 1.00 1.98 N ATOM 0 H LYS A 20 5.290 11.777 -17.196 1.00 0.52 H new ATOM 0 HA LYS A 20 5.257 11.884 -20.015 1.00 0.62 H new ATOM 0 HB2 LYS A 20 2.629 11.489 -18.784 1.00 0.77 H new ATOM 0 HB3 LYS A 20 2.686 13.102 -19.467 1.00 0.77 H new ATOM 0 HG2 LYS A 20 3.943 11.335 -21.368 1.00 0.78 H new ATOM 0 HG3 LYS A 20 2.450 10.569 -20.863 1.00 0.78 H new ATOM 0 HD2 LYS A 20 1.115 12.240 -21.775 1.00 1.38 H new ATOM 0 HD3 LYS A 20 2.253 13.513 -21.384 1.00 1.38 H new ATOM 0 HE2 LYS A 20 3.766 12.214 -23.240 1.00 1.49 H new ATOM 0 HE3 LYS A 20 2.188 11.715 -23.815 1.00 1.49 H new ATOM 0 HZ1 LYS A 20 2.809 13.890 -24.735 1.00 1.98 H new ATOM 0 HZ2 LYS A 20 1.450 14.046 -23.729 1.00 1.98 H new ATOM 0 HZ3 LYS A 20 2.979 14.530 -23.172 1.00 1.98 H new ATOM 356 N ALA A 21 5.879 14.233 -19.642 1.00 1.24 N ATOM 357 CA ALA A 21 6.296 15.639 -19.372 1.00 1.81 C ATOM 358 C ALA A 21 7.094 16.194 -20.556 1.00 1.84 C ATOM 359 O ALA A 21 7.862 15.484 -21.175 1.00 2.19 O ATOM 360 CB ALA A 21 7.176 15.557 -18.125 1.00 2.56 C ATOM 0 H ALA A 21 6.310 13.801 -20.459 1.00 1.24 H new ATOM 0 HA ALA A 21 5.443 16.302 -19.228 1.00 1.81 H new ATOM 0 HB1 ALA A 21 7.525 16.555 -17.860 1.00 2.56 H new ATOM 0 HB2 ALA A 21 6.598 15.143 -17.299 1.00 2.56 H new ATOM 0 HB3 ALA A 21 8.033 14.915 -18.326 1.00 2.56 H new ATOM 366 N PRO A 22 6.883 17.453 -20.826 1.00 0.00 N ATOM 367 CA PRO A 22 7.589 18.121 -21.944 1.00 0.00 C ATOM 368 C PRO A 22 9.060 18.353 -21.585 1.00 0.00 C ATOM 369 O PRO A 22 9.565 17.819 -20.618 1.00 0.00 O ATOM 370 CB PRO A 22 6.852 19.448 -22.094 1.00 0.00 C ATOM 371 CG PRO A 22 6.241 19.707 -20.751 1.00 0.00 C ATOM 372 CD PRO A 22 5.974 18.362 -20.122 1.00 0.00 C ATOM 0 HA PRO A 22 7.588 17.533 -22.862 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.535 20.249 -22.378 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.089 19.390 -22.870 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.914 20.297 -20.129 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.317 20.276 -20.851 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.174 18.376 -19.051 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.934 18.062 -20.248 1.00 0.00 H new ATOM 380 N THR A 23 9.751 19.147 -22.357 1.00 0.00 N ATOM 381 CA THR A 23 11.186 19.412 -22.060 1.00 0.00 C ATOM 382 C THR A 23 11.696 20.581 -22.908 1.00 0.00 C ATOM 383 O THR A 23 12.397 20.394 -23.883 1.00 0.00 O ATOM 384 CB THR A 23 11.913 18.120 -22.436 1.00 0.00 C ATOM 385 OG1 THR A 23 11.618 17.116 -21.476 1.00 0.00 O ATOM 386 CG2 THR A 23 13.421 18.372 -22.465 1.00 0.00 C ATOM 0 H THR A 23 9.383 19.623 -23.180 1.00 0.00 H new ATOM 0 HA THR A 23 11.348 19.683 -21.017 1.00 0.00 H new ATOM 0 HB THR A 23 11.582 17.790 -23.421 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.100 17.507 -20.742 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.939 17.451 -22.733 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.647 19.143 -23.202 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.754 18.702 -21.481 1.00 0.00 H new ATOM 394 N ASN A 24 11.351 21.786 -22.543 1.00 0.00 N ATOM 395 CA ASN A 24 11.817 22.965 -23.328 1.00 0.00 C ATOM 396 C ASN A 24 11.754 24.231 -22.469 1.00 0.00 C ATOM 397 O ASN A 24 10.922 24.358 -21.594 1.00 0.00 O ATOM 398 CB ASN A 24 10.846 23.067 -24.505 1.00 0.00 C ATOM 399 CG ASN A 24 11.282 24.205 -25.429 1.00 0.00 C ATOM 400 OD1 ASN A 24 12.110 24.015 -26.297 1.00 0.00 O ATOM 401 ND2 ASN A 24 10.756 25.389 -25.279 1.00 0.00 N ATOM 0 H ASN A 24 10.767 22.005 -21.736 1.00 0.00 H new ATOM 0 HA ASN A 24 12.850 22.858 -23.660 1.00 0.00 H new ATOM 0 HB2 ASN A 24 10.824 22.126 -25.055 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.834 23.247 -24.141 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.040 26.154 -25.890 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.061 25.550 -24.550 1.00 0.00 H new ATOM 408 N GLU A 25 12.628 25.170 -22.714 1.00 0.00 N ATOM 409 CA GLU A 25 12.617 26.427 -21.911 1.00 0.00 C ATOM 410 C GLU A 25 11.769 27.494 -22.608 1.00 0.00 C ATOM 411 O GLU A 25 11.768 27.608 -23.818 1.00 0.00 O ATOM 412 CB GLU A 25 14.080 26.865 -21.845 1.00 0.00 C ATOM 413 CG GLU A 25 14.870 25.880 -20.981 1.00 0.00 C ATOM 414 CD GLU A 25 15.974 25.238 -21.821 1.00 0.00 C ATOM 415 OE1 GLU A 25 16.346 25.824 -22.824 1.00 0.00 O ATOM 416 OE2 GLU A 25 16.430 24.169 -21.447 1.00 0.00 O ATOM 0 H GLU A 25 13.348 25.121 -23.435 1.00 0.00 H new ATOM 0 HA GLU A 25 12.189 26.280 -20.919 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.504 26.906 -22.848 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.151 27.869 -21.428 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.304 26.397 -20.125 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.205 25.112 -20.586 1.00 0.00 H new ATOM 423 N PHE A 26 11.045 28.275 -21.853 1.00 0.00 N ATOM 424 CA PHE A 26 10.196 29.333 -22.473 1.00 0.00 C ATOM 425 C PHE A 26 11.035 30.583 -22.772 1.00 0.00 C ATOM 426 O PHE A 26 10.632 31.695 -22.500 1.00 0.00 O ATOM 427 CB PHE A 26 9.103 29.630 -21.432 1.00 0.00 C ATOM 428 CG PHE A 26 9.606 30.623 -20.403 1.00 0.00 C ATOM 429 CD1 PHE A 26 10.515 30.215 -19.416 1.00 0.00 C ATOM 430 CD2 PHE A 26 9.156 31.949 -20.433 1.00 0.00 C ATOM 431 CE1 PHE A 26 10.973 31.135 -18.465 1.00 0.00 C ATOM 432 CE2 PHE A 26 9.615 32.867 -19.481 1.00 0.00 C ATOM 433 CZ PHE A 26 10.524 32.460 -18.498 1.00 0.00 C ATOM 0 H PHE A 26 11.004 28.227 -20.835 1.00 0.00 H new ATOM 0 HA PHE A 26 9.767 29.017 -23.424 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.218 30.028 -21.929 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.802 28.706 -20.938 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.861 29.192 -19.389 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.454 32.264 -21.191 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.674 30.822 -17.705 1.00 0.00 H new ATOM 0 HE2 PHE A 26 9.268 33.889 -19.505 1.00 0.00 H new ATOM 0 HZ PHE A 26 10.879 33.169 -17.765 1.00 0.00 H new ATOM 443 N TYR A 27 12.196 30.405 -23.339 1.00 0.00 N ATOM 444 CA TYR A 27 13.059 31.578 -23.659 1.00 0.00 C ATOM 445 C TYR A 27 13.813 31.339 -24.970 1.00 0.00 C ATOM 446 O TYR A 27 14.310 30.259 -25.223 1.00 0.00 O ATOM 447 CB TYR A 27 14.037 31.680 -22.490 1.00 0.00 C ATOM 448 CG TYR A 27 15.164 32.616 -22.856 1.00 0.00 C ATOM 449 CD1 TYR A 27 14.888 33.823 -23.510 1.00 0.00 C ATOM 450 CD2 TYR A 27 16.485 32.276 -22.542 1.00 0.00 C ATOM 451 CE1 TYR A 27 15.933 34.690 -23.849 1.00 0.00 C ATOM 452 CE2 TYR A 27 17.531 33.145 -22.881 1.00 0.00 C ATOM 453 CZ TYR A 27 17.255 34.351 -23.534 1.00 0.00 C ATOM 454 OH TYR A 27 18.285 35.206 -23.868 1.00 0.00 O ATOM 0 H TYR A 27 12.585 29.498 -23.595 1.00 0.00 H new ATOM 0 HA TYR A 27 12.481 32.493 -23.788 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.521 32.045 -21.602 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.433 30.694 -22.247 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.869 34.085 -23.753 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.698 31.344 -22.039 1.00 0.00 H new ATOM 0 HE1 TYR A 27 15.720 35.621 -24.354 1.00 0.00 H new ATOM 0 HE2 TYR A 27 18.550 32.884 -22.638 1.00 0.00 H new ATOM 0 HH TYR A 27 19.138 34.820 -23.577 1.00 0.00 H new ATOM 464 N ALA A 28 13.903 32.337 -25.806 1.00 0.00 N ATOM 465 CA ALA A 28 14.625 32.164 -27.099 1.00 0.00 C ATOM 466 C ALA A 28 16.128 32.006 -26.850 1.00 0.00 C ATOM 467 O ALA A 28 16.895 32.652 -27.546 1.00 0.00 O ATOM 468 CB ALA A 28 14.345 33.447 -27.883 1.00 0.00 C ATOM 469 OXT ALA A 28 16.485 31.242 -25.969 1.00 0.00 O ATOM 0 H ALA A 28 13.508 33.264 -25.650 1.00 0.00 H new ATOM 0 HA ALA A 28 14.297 31.275 -27.639 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.844 33.398 -28.851 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.271 33.554 -28.033 1.00 0.00 H new ATOM 0 HB3 ALA A 28 14.721 34.304 -27.324 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -15.657 -17.096 -6.706 1.00 0.00 N ATOM 477 CA ARG B 1 -14.398 -17.687 -6.168 1.00 0.00 C ATOM 478 C ARG B 1 -14.372 -17.577 -4.641 1.00 0.00 C ATOM 479 O ARG B 1 -13.379 -17.192 -4.055 1.00 0.00 O ATOM 480 CB ARG B 1 -13.276 -16.852 -6.784 1.00 0.00 C ATOM 481 CG ARG B 1 -12.622 -17.636 -7.924 1.00 0.00 C ATOM 482 CD ARG B 1 -12.153 -16.663 -9.009 1.00 0.00 C ATOM 483 NE ARG B 1 -11.417 -17.509 -9.989 1.00 0.00 N ATOM 484 CZ ARG B 1 -10.356 -17.039 -10.589 1.00 0.00 C ATOM 485 NH1 ARG B 1 -9.207 -17.034 -9.971 1.00 0.00 N ATOM 486 NH2 ARG B 1 -10.446 -16.577 -11.805 1.00 0.00 N ATOM 0 H1 ARG B 1 -15.655 -17.161 -7.744 1.00 0.00 H new ATOM 0 H2 ARG B 1 -16.474 -17.616 -6.328 1.00 0.00 H new ATOM 0 H3 ARG B 1 -15.721 -16.098 -6.422 1.00 0.00 H new ATOM 0 HA ARG B 1 -14.301 -18.745 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -13.674 -15.909 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -12.533 -16.606 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -11.777 -18.211 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -13.331 -18.350 -8.343 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -12.997 -16.158 -9.478 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -11.509 -15.888 -8.593 1.00 0.00 H new ATOM 0 HE ARG B 1 -11.741 -18.455 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -9.138 -17.397 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -8.378 -16.667 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -11.345 -16.583 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -9.618 -16.210 -12.274 1.00 0.00 H new ATOM 502 N MET B 2 -15.455 -17.910 -3.994 1.00 0.00 N ATOM 503 CA MET B 2 -15.491 -17.823 -2.506 1.00 0.00 C ATOM 504 C MET B 2 -15.458 -19.225 -1.891 1.00 0.00 C ATOM 505 O MET B 2 -16.323 -20.041 -2.138 1.00 0.00 O ATOM 506 CB MET B 2 -16.813 -17.128 -2.185 1.00 0.00 C ATOM 507 CG MET B 2 -16.819 -16.696 -0.717 1.00 0.00 C ATOM 508 SD MET B 2 -17.743 -17.906 0.263 1.00 0.00 S ATOM 509 CE MET B 2 -19.072 -16.800 0.796 1.00 0.00 C ATOM 0 H MET B 2 -16.316 -18.238 -4.431 1.00 0.00 H new ATOM 0 HA MET B 2 -14.635 -17.281 -2.103 1.00 0.00 H new ATOM 0 HB2 MET B 2 -16.946 -16.260 -2.831 1.00 0.00 H new ATOM 0 HB3 MET B 2 -17.647 -17.802 -2.380 1.00 0.00 H new ATOM 0 HG2 MET B 2 -15.797 -16.615 -0.346 1.00 0.00 H new ATOM 0 HG3 MET B 2 -17.272 -15.710 -0.619 1.00 0.00 H new ATOM 0 HE1 MET B 2 -19.772 -17.349 1.425 1.00 0.00 H new ATOM 0 HE2 MET B 2 -18.649 -15.970 1.362 1.00 0.00 H new ATOM 0 HE3 MET B 2 -19.596 -16.413 -0.078 1.00 0.00 H new ATOM 519 N LYS B 3 -14.467 -19.509 -1.092 1.00 0.00 N ATOM 520 CA LYS B 3 -14.379 -20.858 -0.461 1.00 0.00 C ATOM 521 C LYS B 3 -14.684 -21.946 -1.494 1.00 0.00 C ATOM 522 O LYS B 3 -15.599 -22.730 -1.335 1.00 0.00 O ATOM 523 CB LYS B 3 -15.442 -20.850 0.637 1.00 0.00 C ATOM 524 CG LYS B 3 -14.776 -21.083 1.994 1.00 0.00 C ATOM 525 CD LYS B 3 -15.813 -20.922 3.107 1.00 0.00 C ATOM 526 CE LYS B 3 -15.122 -21.024 4.469 1.00 0.00 C ATOM 527 NZ LYS B 3 -16.210 -21.365 5.427 1.00 0.00 N ATOM 0 H LYS B 3 -13.714 -18.866 -0.848 1.00 0.00 H new ATOM 0 HA LYS B 3 -13.385 -21.065 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -15.971 -19.897 0.639 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -16.183 -21.626 0.446 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -14.340 -22.081 2.030 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -13.961 -20.374 2.137 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -16.315 -19.959 3.014 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -16.580 -21.692 3.018 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -14.347 -21.791 4.462 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -14.639 -20.085 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -15.814 -21.452 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -16.930 -20.614 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -16.647 -22.267 5.149 1.00 0.00 H new ATOM 541 N LYS B 4 -13.922 -22.002 -2.553 1.00 0.00 N ATOM 542 CA LYS B 4 -14.167 -23.041 -3.594 1.00 0.00 C ATOM 543 C LYS B 4 -12.837 -23.554 -4.152 1.00 0.00 C ATOM 544 O LYS B 4 -12.800 -24.274 -5.131 1.00 0.00 O ATOM 545 CB LYS B 4 -14.966 -22.326 -4.686 1.00 0.00 C ATOM 546 CG LYS B 4 -14.194 -21.093 -5.161 1.00 0.00 C ATOM 547 CD LYS B 4 -13.541 -21.388 -6.512 1.00 0.00 C ATOM 548 CE LYS B 4 -12.331 -20.471 -6.707 1.00 0.00 C ATOM 549 NZ LYS B 4 -12.015 -20.557 -8.160 1.00 0.00 N ATOM 0 H LYS B 4 -13.141 -21.374 -2.742 1.00 0.00 H new ATOM 0 HA LYS B 4 -14.700 -23.905 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -15.143 -23.002 -5.523 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -15.943 -22.031 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -14.868 -20.241 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -13.433 -20.823 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -13.230 -22.432 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -14.260 -21.234 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -12.560 -19.447 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -11.487 -20.796 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.642 -19.644 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.303 -21.298 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -12.879 -20.789 -8.690 1.00 0.00 H new ATOM 563 N LYS B 5 -11.744 -23.190 -3.539 1.00 0.00 N ATOM 564 CA LYS B 5 -10.419 -23.658 -4.035 1.00 0.00 C ATOM 565 C LYS B 5 -10.328 -23.481 -5.553 1.00 0.00 C ATOM 566 O LYS B 5 -11.201 -22.908 -6.175 1.00 0.00 O ATOM 567 CB LYS B 5 -10.358 -25.140 -3.663 1.00 0.00 C ATOM 568 CG LYS B 5 -9.117 -25.401 -2.807 1.00 0.00 C ATOM 569 CD LYS B 5 -8.548 -26.781 -3.139 1.00 0.00 C ATOM 570 CE LYS B 5 -8.604 -27.671 -1.896 1.00 0.00 C ATOM 571 NZ LYS B 5 -10.044 -28.008 -1.730 1.00 0.00 N ATOM 0 H LYS B 5 -11.711 -22.589 -2.716 1.00 0.00 H new ATOM 0 HA LYS B 5 -9.593 -23.094 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -11.257 -25.426 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -10.326 -25.751 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -8.366 -24.633 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -9.374 -25.347 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -9.118 -27.235 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -7.519 -26.688 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.001 -28.569 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.217 -27.151 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -10.381 -27.650 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -10.594 -27.570 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -10.165 -29.040 -1.764 1.00 0.00 H new ATOM 585 N ASP B 6 -9.279 -23.972 -6.155 1.00 0.00 N ATOM 586 CA ASP B 6 -9.134 -23.832 -7.634 1.00 0.00 C ATOM 587 C ASP B 6 -8.947 -22.360 -8.012 1.00 0.00 C ATOM 588 O ASP B 6 -9.785 -21.525 -7.735 1.00 0.00 O ATOM 589 CB ASP B 6 -10.442 -24.373 -8.213 1.00 0.00 C ATOM 590 CG ASP B 6 -10.141 -25.236 -9.439 1.00 0.00 C ATOM 591 OD1 ASP B 6 -9.764 -24.676 -10.456 1.00 0.00 O ATOM 592 OD2 ASP B 6 -10.291 -26.443 -9.341 1.00 0.00 O ATOM 0 H ASP B 6 -8.517 -24.463 -5.688 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.266 -24.369 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -10.968 -24.962 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.098 -23.548 -8.489 1.00 0.00 H new ATOM 597 N GLU B 7 -7.852 -22.035 -8.646 1.00 0.00 N ATOM 598 CA GLU B 7 -7.610 -20.617 -9.044 1.00 0.00 C ATOM 599 C GLU B 7 -7.426 -20.518 -10.560 1.00 0.00 C ATOM 600 O GLU B 7 -7.682 -21.457 -11.288 1.00 0.00 O ATOM 601 CB GLU B 7 -6.324 -20.218 -8.319 1.00 0.00 C ATOM 602 CG GLU B 7 -5.163 -21.073 -8.829 1.00 0.00 C ATOM 603 CD GLU B 7 -5.054 -22.343 -7.982 1.00 0.00 C ATOM 604 OE1 GLU B 7 -4.370 -22.300 -6.973 1.00 0.00 O ATOM 605 OE2 GLU B 7 -5.657 -23.335 -8.357 1.00 0.00 O ATOM 0 H GLU B 7 -7.114 -22.690 -8.906 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.444 -19.965 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -6.113 -19.162 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.444 -20.353 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.322 -21.334 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.232 -20.508 -8.779 1.00 0.00 H new ATOM 612 N GLY B 8 -6.982 -19.390 -11.043 1.00 0.00 N ATOM 613 CA GLY B 8 -6.783 -19.238 -12.510 1.00 0.00 C ATOM 614 C GLY B 8 -5.302 -19.412 -12.841 1.00 0.00 C ATOM 615 O GLY B 8 -4.747 -20.485 -12.710 1.00 0.00 O ATOM 0 H GLY B 8 -6.749 -18.569 -10.485 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.377 -19.978 -13.047 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.127 -18.256 -12.835 1.00 0.00 H new ATOM 619 N SER B 9 -4.655 -18.364 -13.268 1.00 0.00 N ATOM 620 CA SER B 9 -3.208 -18.471 -13.607 1.00 0.00 C ATOM 621 C SER B 9 -2.623 -17.085 -13.894 1.00 0.00 C ATOM 622 O SER B 9 -3.228 -16.072 -13.608 1.00 0.00 O ATOM 623 CB SER B 9 -3.157 -19.341 -14.860 1.00 0.00 C ATOM 624 OG SER B 9 -2.045 -20.223 -14.778 1.00 0.00 O ATOM 0 H SER B 9 -5.065 -17.439 -13.397 1.00 0.00 H new ATOM 0 HA SER B 9 -2.626 -18.897 -12.790 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.081 -19.911 -14.958 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.073 -18.714 -15.748 1.00 0.00 H new ATOM 0 HG SER B 9 -2.012 -20.783 -15.581 1.00 0.00 H new ATOM 630 N TYR B 10 -1.450 -17.038 -14.465 1.00 0.00 N ATOM 631 CA TYR B 10 -0.821 -15.724 -14.782 1.00 0.00 C ATOM 632 C TYR B 10 -1.036 -14.733 -13.634 1.00 0.00 C ATOM 633 O TYR B 10 -1.395 -15.107 -12.536 1.00 0.00 O ATOM 634 CB TYR B 10 -1.532 -15.241 -16.046 1.00 0.00 C ATOM 635 CG TYR B 10 -0.508 -14.838 -17.081 1.00 0.00 C ATOM 636 CD1 TYR B 10 0.736 -14.337 -16.678 1.00 0.00 C ATOM 637 CD2 TYR B 10 -0.803 -14.964 -18.443 1.00 0.00 C ATOM 638 CE1 TYR B 10 1.685 -13.965 -17.636 1.00 0.00 C ATOM 639 CE2 TYR B 10 0.146 -14.592 -19.403 1.00 0.00 C ATOM 640 CZ TYR B 10 1.391 -14.091 -19.000 1.00 0.00 C ATOM 641 OH TYR B 10 2.327 -13.724 -19.945 1.00 0.00 O ATOM 0 H TYR B 10 -0.899 -17.855 -14.726 1.00 0.00 H new ATOM 0 HA TYR B 10 0.256 -15.810 -14.924 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.171 -16.031 -16.440 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.179 -14.396 -15.811 1.00 0.00 H new ATOM 0 HD1 TYR B 10 0.963 -14.238 -15.627 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -1.763 -15.348 -18.754 1.00 0.00 H new ATOM 0 HE1 TYR B 10 2.645 -13.580 -17.324 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -0.082 -14.691 -20.454 1.00 0.00 H new ATOM 0 HH TYR B 10 1.963 -13.876 -20.842 1.00 0.00 H new ATOM 651 N ASP B 11 -0.818 -13.470 -13.884 1.00 0.00 N ATOM 652 CA ASP B 11 -1.010 -12.452 -12.814 1.00 0.00 C ATOM 653 C ASP B 11 -0.934 -11.042 -13.409 1.00 0.00 C ATOM 654 O ASP B 11 -1.927 -10.352 -13.523 1.00 0.00 O ATOM 655 CB ASP B 11 0.144 -12.684 -11.838 1.00 0.00 C ATOM 656 CG ASP B 11 -0.372 -13.431 -10.607 1.00 0.00 C ATOM 657 OD1 ASP B 11 -0.983 -12.794 -9.765 1.00 0.00 O ATOM 658 OD2 ASP B 11 -0.147 -14.628 -10.528 1.00 0.00 O ATOM 0 H ASP B 11 -0.515 -13.100 -14.785 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.981 -12.540 -12.327 1.00 0.00 H new ATOM 0 HB2 ASP B 11 0.933 -13.260 -12.322 1.00 0.00 H new ATOM 0 HB3 ASP B 11 0.581 -11.730 -11.541 1.00 0.00 H new ATOM 663 N LEU B 12 0.238 -10.612 -13.788 1.00 1.05 N ATOM 664 CA LEU B 12 0.379 -9.248 -14.378 1.00 0.91 C ATOM 665 C LEU B 12 -0.430 -8.232 -13.567 1.00 0.80 C ATOM 666 O LEU B 12 -0.907 -8.523 -12.488 1.00 0.94 O ATOM 667 CB LEU B 12 -0.184 -9.370 -15.795 1.00 1.05 C ATOM 668 CG LEU B 12 0.358 -10.639 -16.455 1.00 2.06 C ATOM 669 CD1 LEU B 12 -0.805 -11.566 -16.813 1.00 2.72 C ATOM 670 CD2 LEU B 12 1.122 -10.266 -17.728 1.00 2.67 C ATOM 0 H LEU B 12 1.105 -11.145 -13.715 1.00 1.05 H new ATOM 0 HA LEU B 12 1.413 -8.904 -14.376 1.00 0.91 H new ATOM 0 HB2 LEU B 12 -1.273 -9.401 -15.763 1.00 1.05 H new ATOM 0 HB3 LEU B 12 0.093 -8.495 -16.384 1.00 1.05 H new ATOM 0 HG LEU B 12 1.029 -11.149 -15.764 1.00 2.06 H new ATOM 0 HD11 LEU B 12 -0.418 -12.470 -17.283 1.00 2.72 H new ATOM 0 HD12 LEU B 12 -1.350 -11.833 -15.907 1.00 2.72 H new ATOM 0 HD13 LEU B 12 -1.477 -11.057 -17.504 1.00 2.72 H new ATOM 0 HD21 LEU B 12 1.508 -11.170 -18.199 1.00 2.67 H new ATOM 0 HD22 LEU B 12 0.451 -9.756 -18.419 1.00 2.67 H new ATOM 0 HD23 LEU B 12 1.952 -9.606 -17.474 1.00 2.67 H new ATOM 682 N GLY B 13 -0.586 -7.042 -14.078 1.00 0.73 N ATOM 683 CA GLY B 13 -1.364 -6.009 -13.337 1.00 0.71 C ATOM 684 C GLY B 13 -2.646 -5.684 -14.105 1.00 0.64 C ATOM 685 O GLY B 13 -3.727 -6.091 -13.727 1.00 0.74 O ATOM 0 H GLY B 13 -0.209 -6.740 -14.976 1.00 0.73 H new ATOM 0 HA2 GLY B 13 -1.608 -6.370 -12.338 1.00 0.71 H new ATOM 0 HA3 GLY B 13 -0.764 -5.107 -13.212 1.00 0.71 H new ATOM 689 N LYS B 14 -2.536 -4.954 -15.182 1.00 0.53 N ATOM 690 CA LYS B 14 -3.750 -4.606 -15.973 1.00 0.52 C ATOM 691 C LYS B 14 -3.352 -3.964 -17.305 1.00 0.47 C ATOM 692 O LYS B 14 -3.119 -4.640 -18.287 1.00 0.83 O ATOM 693 CB LYS B 14 -4.516 -3.611 -15.101 1.00 0.57 C ATOM 694 CG LYS B 14 -5.723 -3.076 -15.875 1.00 1.11 C ATOM 695 CD LYS B 14 -6.266 -1.828 -15.175 1.00 1.42 C ATOM 696 CE LYS B 14 -6.495 -2.133 -13.694 1.00 1.93 C ATOM 697 NZ LYS B 14 -7.524 -3.209 -13.678 1.00 2.37 N ATOM 0 H LYS B 14 -1.659 -4.584 -15.548 1.00 0.53 H new ATOM 0 HA LYS B 14 -4.351 -5.483 -16.215 1.00 0.52 H new ATOM 0 HB2 LYS B 14 -4.846 -4.096 -14.182 1.00 0.57 H new ATOM 0 HB3 LYS B 14 -3.863 -2.788 -14.811 1.00 0.57 H new ATOM 0 HG2 LYS B 14 -5.435 -2.836 -16.898 1.00 1.11 H new ATOM 0 HG3 LYS B 14 -6.499 -3.840 -15.933 1.00 1.11 H new ATOM 0 HD2 LYS B 14 -5.562 -1.002 -15.283 1.00 1.42 H new ATOM 0 HD3 LYS B 14 -7.200 -1.514 -15.641 1.00 1.42 H new ATOM 0 HE2 LYS B 14 -5.574 -2.460 -13.211 1.00 1.93 H new ATOM 0 HE3 LYS B 14 -6.840 -1.249 -13.157 1.00 1.93 H new ATOM 0 HZ1 LYS B 14 -8.002 -3.218 -12.755 1.00 2.37 H new ATOM 0 HZ2 LYS B 14 -8.223 -3.032 -14.428 1.00 2.37 H new ATOM 0 HZ3 LYS B 14 -7.067 -4.129 -13.840 1.00 2.37 H new ATOM 711 N LYS B 15 -3.271 -2.662 -17.347 1.00 0.48 N ATOM 712 CA LYS B 15 -2.888 -1.979 -18.617 1.00 0.47 C ATOM 713 C LYS B 15 -1.802 -0.931 -18.347 1.00 0.35 C ATOM 714 O LYS B 15 -1.934 -0.118 -17.456 1.00 0.35 O ATOM 715 CB LYS B 15 -4.171 -1.306 -19.105 1.00 0.61 C ATOM 716 CG LYS B 15 -5.115 -2.362 -19.680 1.00 1.06 C ATOM 717 CD LYS B 15 -5.990 -1.728 -20.763 1.00 1.42 C ATOM 718 CE LYS B 15 -6.692 -2.828 -21.562 1.00 2.20 C ATOM 719 NZ LYS B 15 -7.886 -2.166 -22.158 1.00 2.60 N ATOM 0 H LYS B 15 -3.453 -2.042 -16.558 1.00 0.48 H new ATOM 0 HA LYS B 15 -2.484 -2.673 -19.355 1.00 0.47 H new ATOM 0 HB2 LYS B 15 -4.655 -0.781 -18.281 1.00 0.61 H new ATOM 0 HB3 LYS B 15 -3.937 -0.560 -19.865 1.00 0.61 H new ATOM 0 HG2 LYS B 15 -4.541 -3.189 -20.099 1.00 1.06 H new ATOM 0 HG3 LYS B 15 -5.740 -2.776 -18.889 1.00 1.06 H new ATOM 0 HD2 LYS B 15 -6.728 -1.067 -20.308 1.00 1.42 H new ATOM 0 HD3 LYS B 15 -5.379 -1.116 -21.426 1.00 1.42 H new ATOM 0 HE2 LYS B 15 -6.038 -3.234 -22.334 1.00 2.20 H new ATOM 0 HE3 LYS B 15 -6.981 -3.660 -20.920 1.00 2.20 H new ATOM 0 HZ1 LYS B 15 -8.421 -2.857 -22.722 1.00 2.60 H new ATOM 0 HZ2 LYS B 15 -8.493 -1.795 -21.399 1.00 2.60 H new ATOM 0 HZ3 LYS B 15 -7.580 -1.383 -22.770 1.00 2.60 H new ATOM 733 N PRO B 16 -0.760 -0.990 -19.133 1.00 0.33 N ATOM 734 CA PRO B 16 0.361 -0.035 -18.979 1.00 0.29 C ATOM 735 C PRO B 16 -0.038 1.350 -19.498 1.00 0.31 C ATOM 736 O PRO B 16 -0.122 1.576 -20.688 1.00 0.63 O ATOM 737 CB PRO B 16 1.466 -0.636 -19.842 1.00 0.39 C ATOM 738 CG PRO B 16 0.755 -1.474 -20.858 1.00 0.45 C ATOM 739 CD PRO B 16 -0.533 -1.941 -20.226 1.00 0.43 C ATOM 0 HA PRO B 16 0.663 0.104 -17.941 1.00 0.29 H new ATOM 0 HB2 PRO B 16 2.061 0.143 -20.320 1.00 0.39 H new ATOM 0 HB3 PRO B 16 2.150 -1.238 -19.244 1.00 0.39 H new ATOM 0 HG2 PRO B 16 0.554 -0.897 -21.761 1.00 0.45 H new ATOM 0 HG3 PRO B 16 1.369 -2.324 -21.154 1.00 0.45 H new ATOM 0 HD2 PRO B 16 -1.355 -1.930 -20.942 1.00 0.43 H new ATOM 0 HD3 PRO B 16 -0.448 -2.962 -19.855 1.00 0.43 H new ATOM 747 N ILE B 17 -0.283 2.277 -18.612 1.00 0.39 N ATOM 748 CA ILE B 17 -0.676 3.646 -19.056 1.00 0.38 C ATOM 749 C ILE B 17 0.565 4.535 -19.190 1.00 0.37 C ATOM 750 O ILE B 17 1.680 4.090 -19.008 1.00 0.54 O ATOM 751 CB ILE B 17 -1.596 4.178 -17.956 1.00 0.46 C ATOM 752 CG1 ILE B 17 -2.542 3.067 -17.493 1.00 0.57 C ATOM 753 CG2 ILE B 17 -2.415 5.350 -18.498 1.00 1.00 C ATOM 754 CD1 ILE B 17 -2.071 2.526 -16.142 1.00 0.79 C ATOM 0 H ILE B 17 -0.228 2.147 -17.602 1.00 0.39 H new ATOM 0 HA ILE B 17 -1.169 3.635 -20.028 1.00 0.38 H new ATOM 0 HB ILE B 17 -0.992 4.514 -17.113 1.00 0.46 H new ATOM 0 HG12 ILE B 17 -3.558 3.452 -17.408 1.00 0.57 H new ATOM 0 HG13 ILE B 17 -2.566 2.264 -18.230 1.00 0.57 H new ATOM 0 HG21 ILE B 17 -3.071 5.729 -17.714 1.00 1.00 H new ATOM 0 HG22 ILE B 17 -1.743 6.144 -18.824 1.00 1.00 H new ATOM 0 HG23 ILE B 17 -3.016 5.014 -19.343 1.00 1.00 H new ATOM 0 HD11 ILE B 17 -2.744 1.735 -15.812 1.00 0.79 H new ATOM 0 HD12 ILE B 17 -1.062 2.126 -16.242 1.00 0.79 H new ATOM 0 HD13 ILE B 17 -2.070 3.332 -15.408 1.00 0.79 H new ATOM 766 N TYR B 18 0.378 5.788 -19.504 1.00 0.38 N ATOM 767 CA TYR B 18 1.547 6.704 -19.646 1.00 0.39 C ATOM 768 C TYR B 18 1.071 8.153 -19.771 1.00 0.40 C ATOM 769 O TYR B 18 1.126 8.745 -20.830 1.00 0.61 O ATOM 770 CB TYR B 18 2.245 6.256 -20.931 1.00 0.54 C ATOM 771 CG TYR B 18 3.731 6.496 -20.806 1.00 0.58 C ATOM 772 CD1 TYR B 18 4.458 5.867 -19.787 1.00 1.21 C ATOM 773 CD2 TYR B 18 4.380 7.349 -21.706 1.00 1.46 C ATOM 774 CE1 TYR B 18 5.835 6.092 -19.671 1.00 1.29 C ATOM 775 CE2 TYR B 18 5.757 7.573 -21.590 1.00 1.56 C ATOM 776 CZ TYR B 18 6.485 6.944 -20.572 1.00 0.91 C ATOM 777 OH TYR B 18 7.842 7.165 -20.457 1.00 1.12 O ATOM 0 H TYR B 18 -0.533 6.217 -19.668 1.00 0.38 H new ATOM 0 HA TYR B 18 2.213 6.662 -18.784 1.00 0.39 H new ATOM 0 HB2 TYR B 18 2.050 5.199 -21.114 1.00 0.54 H new ATOM 0 HB3 TYR B 18 1.847 6.806 -21.784 1.00 0.54 H new ATOM 0 HD1 TYR B 18 3.957 5.210 -19.092 1.00 1.21 H new ATOM 0 HD2 TYR B 18 3.818 7.835 -22.490 1.00 1.46 H new ATOM 0 HE1 TYR B 18 6.396 5.608 -18.886 1.00 1.29 H new ATOM 0 HE2 TYR B 18 6.258 8.231 -22.285 1.00 1.56 H new ATOM 0 HH TYR B 18 8.134 7.780 -21.162 1.00 1.12 H new ATOM 787 N LYS B 19 0.601 8.728 -18.698 1.00 0.31 N ATOM 788 CA LYS B 19 0.122 10.140 -18.757 1.00 0.40 C ATOM 789 C LYS B 19 0.708 10.950 -17.597 1.00 0.35 C ATOM 790 O LYS B 19 1.051 10.413 -16.563 1.00 0.71 O ATOM 791 CB LYS B 19 -1.399 10.046 -18.630 1.00 0.64 C ATOM 792 CG LYS B 19 -2.030 11.373 -19.058 1.00 1.13 C ATOM 793 CD LYS B 19 -2.382 11.313 -20.545 1.00 1.42 C ATOM 794 CE LYS B 19 -2.765 12.712 -21.036 1.00 1.78 C ATOM 795 NZ LYS B 19 -3.866 12.487 -22.014 1.00 2.07 N ATOM 0 H LYS B 19 0.528 8.282 -17.783 1.00 0.31 H new ATOM 0 HA LYS B 19 0.426 10.640 -19.676 1.00 0.40 H new ATOM 0 HB2 LYS B 19 -1.777 9.234 -19.251 1.00 0.64 H new ATOM 0 HB3 LYS B 19 -1.675 9.815 -17.601 1.00 0.64 H new ATOM 0 HG2 LYS B 19 -2.926 11.569 -18.469 1.00 1.13 H new ATOM 0 HG3 LYS B 19 -1.339 12.194 -18.870 1.00 1.13 H new ATOM 0 HD2 LYS B 19 -1.533 10.935 -21.116 1.00 1.42 H new ATOM 0 HD3 LYS B 19 -3.208 10.621 -20.706 1.00 1.42 H new ATOM 0 HE2 LYS B 19 -3.093 13.344 -20.211 1.00 1.78 H new ATOM 0 HE3 LYS B 19 -1.917 13.212 -21.504 1.00 1.78 H new ATOM 0 HZ1 LYS B 19 -4.183 13.401 -22.396 1.00 2.07 H new ATOM 0 HZ2 LYS B 19 -3.523 11.887 -22.791 1.00 2.07 H new ATOM 0 HZ3 LYS B 19 -4.662 12.015 -21.539 1.00 2.07 H new ATOM 809 N LYS B 20 0.824 12.240 -17.762 1.00 0.52 N ATOM 810 CA LYS B 20 1.386 13.087 -16.671 1.00 0.62 C ATOM 811 C LYS B 20 1.637 14.509 -17.182 1.00 1.17 C ATOM 812 O LYS B 20 2.283 14.711 -18.190 1.00 1.89 O ATOM 813 CB LYS B 20 2.706 12.417 -16.287 1.00 0.77 C ATOM 814 CG LYS B 20 2.653 11.986 -14.820 1.00 0.78 C ATOM 815 CD LYS B 20 3.811 12.632 -14.056 1.00 1.38 C ATOM 816 CE LYS B 20 3.350 12.998 -12.644 1.00 1.49 C ATOM 817 NZ LYS B 20 4.162 14.190 -12.274 1.00 1.98 N ATOM 0 H LYS B 20 0.553 12.744 -18.606 1.00 0.52 H new ATOM 0 HA LYS B 20 0.708 13.168 -15.822 1.00 0.62 H new ATOM 0 HB2 LYS B 20 2.886 11.552 -16.925 1.00 0.77 H new ATOM 0 HB3 LYS B 20 3.535 13.107 -16.445 1.00 0.77 H new ATOM 0 HG2 LYS B 20 1.702 12.281 -14.377 1.00 0.78 H new ATOM 0 HG3 LYS B 20 2.716 10.900 -14.746 1.00 0.78 H new ATOM 0 HD2 LYS B 20 4.656 11.946 -14.007 1.00 1.38 H new ATOM 0 HD3 LYS B 20 4.154 13.524 -14.581 1.00 1.38 H new ATOM 0 HE2 LYS B 20 2.284 13.224 -12.622 1.00 1.49 H new ATOM 0 HE3 LYS B 20 3.516 12.175 -11.948 1.00 1.49 H new ATOM 0 HZ1 LYS B 20 3.904 14.502 -11.316 1.00 1.98 H new ATOM 0 HZ2 LYS B 20 5.172 13.943 -12.297 1.00 1.98 H new ATOM 0 HZ3 LYS B 20 3.978 14.959 -12.950 1.00 1.98 H new ATOM 831 N ALA B 21 1.130 15.495 -16.494 1.00 1.24 N ATOM 832 CA ALA B 21 1.341 16.901 -16.943 1.00 1.81 C ATOM 833 C ALA B 21 0.885 17.881 -15.858 1.00 1.84 C ATOM 834 O ALA B 21 -0.093 17.644 -15.178 1.00 2.19 O ATOM 835 CB ALA B 21 0.475 17.050 -18.194 1.00 2.56 C ATOM 0 H ALA B 21 0.580 15.389 -15.642 1.00 1.24 H new ATOM 0 HA ALA B 21 2.391 17.116 -17.143 1.00 1.81 H new ATOM 0 HB1 ALA B 21 0.575 18.062 -18.587 1.00 2.56 H new ATOM 0 HB2 ALA B 21 0.800 16.334 -18.949 1.00 2.56 H new ATOM 0 HB3 ALA B 21 -0.568 16.861 -17.939 1.00 2.56 H new ATOM 841 N PRO B 22 1.618 18.954 -15.736 1.00 0.00 N ATOM 842 CA PRO B 22 1.291 19.988 -14.727 1.00 0.00 C ATOM 843 C PRO B 22 0.048 20.776 -15.152 1.00 0.00 C ATOM 844 O PRO B 22 -0.661 20.393 -16.060 1.00 0.00 O ATOM 845 CB PRO B 22 2.525 20.885 -14.719 1.00 0.00 C ATOM 846 CG PRO B 22 3.150 20.697 -16.066 1.00 0.00 C ATOM 847 CD PRO B 22 2.806 19.299 -16.521 1.00 0.00 C ATOM 0 HA PRO B 22 1.066 19.572 -13.745 1.00 0.00 H new ATOM 0 HB2 PRO B 22 2.254 21.927 -14.552 1.00 0.00 H new ATOM 0 HB3 PRO B 22 3.213 20.603 -13.922 1.00 0.00 H new ATOM 0 HG2 PRO B 22 2.773 21.436 -16.773 1.00 0.00 H new ATOM 0 HG3 PRO B 22 4.230 20.830 -16.012 1.00 0.00 H new ATOM 0 HD2 PRO B 22 2.601 19.266 -17.591 1.00 0.00 H new ATOM 0 HD3 PRO B 22 3.625 18.605 -16.332 1.00 0.00 H new ATOM 855 N THR B 23 -0.221 21.875 -14.500 1.00 0.00 N ATOM 856 CA THR B 23 -1.415 22.685 -14.865 1.00 0.00 C ATOM 857 C THR B 23 -1.359 24.053 -14.180 1.00 0.00 C ATOM 858 O THR B 23 -2.046 24.300 -13.209 1.00 0.00 O ATOM 859 CB THR B 23 -2.611 21.880 -14.356 1.00 0.00 C ATOM 860 OG1 THR B 23 -2.795 20.736 -15.179 1.00 0.00 O ATOM 861 CG2 THR B 23 -3.870 22.748 -14.399 1.00 0.00 C ATOM 0 H THR B 23 0.336 22.246 -13.730 1.00 0.00 H new ATOM 0 HA THR B 23 -1.474 22.870 -15.938 1.00 0.00 H new ATOM 0 HB THR B 23 -2.425 21.564 -13.329 1.00 0.00 H new ATOM 0 HG1 THR B 23 -2.148 20.755 -15.915 1.00 0.00 H new ATOM 0 HG21 THR B 23 -4.721 22.172 -14.036 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.729 23.625 -13.767 1.00 0.00 H new ATOM 0 HG23 THR B 23 -4.058 23.066 -15.425 1.00 0.00 H new ATOM 869 N ASN B 24 -0.546 24.945 -14.678 1.00 0.00 N ATOM 870 CA ASN B 24 -0.448 26.296 -14.054 1.00 0.00 C ATOM 871 C ASN B 24 0.124 27.302 -15.058 1.00 0.00 C ATOM 872 O ASN B 24 0.906 26.956 -15.920 1.00 0.00 O ATOM 873 CB ASN B 24 0.507 26.118 -12.874 1.00 0.00 C ATOM 874 CG ASN B 24 0.620 27.436 -12.105 1.00 0.00 C ATOM 875 OD1 ASN B 24 -0.188 27.721 -11.243 1.00 0.00 O ATOM 876 ND2 ASN B 24 1.594 28.258 -12.384 1.00 0.00 N ATOM 0 H ASN B 24 0.054 24.797 -15.489 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.420 26.677 -13.740 1.00 0.00 H new ATOM 0 HB2 ASN B 24 0.144 25.330 -12.214 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.489 25.808 -13.231 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.678 29.140 -11.879 1.00 0.00 H new ATOM 0 HD22 ASN B 24 2.272 28.019 -13.107 1.00 0.00 H new ATOM 883 N GLU B 25 -0.264 28.544 -14.952 1.00 0.00 N ATOM 884 CA GLU B 25 0.258 29.570 -15.902 1.00 0.00 C ATOM 885 C GLU B 25 1.496 30.254 -15.317 1.00 0.00 C ATOM 886 O GLU B 25 1.579 30.502 -14.130 1.00 0.00 O ATOM 887 CB GLU B 25 -0.883 30.576 -16.061 1.00 0.00 C ATOM 888 CG GLU B 25 -2.039 29.922 -16.819 1.00 0.00 C ATOM 889 CD GLU B 25 -3.289 29.914 -15.938 1.00 0.00 C ATOM 890 OE1 GLU B 25 -3.350 30.719 -15.024 1.00 0.00 O ATOM 891 OE2 GLU B 25 -4.165 29.103 -16.192 1.00 0.00 O ATOM 0 H GLU B 25 -0.918 28.893 -14.251 1.00 0.00 H new ATOM 0 HA GLU B 25 0.557 29.135 -16.856 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -1.222 30.915 -15.082 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -0.533 31.457 -16.600 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -2.236 30.466 -17.743 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -1.773 28.903 -17.100 1.00 0.00 H new ATOM 898 N PHE B 26 2.463 30.557 -16.140 1.00 0.00 N ATOM 899 CA PHE B 26 3.697 31.222 -15.630 1.00 0.00 C ATOM 900 C PHE B 26 3.474 32.735 -15.507 1.00 0.00 C ATOM 901 O PHE B 26 4.302 33.530 -15.902 1.00 0.00 O ATOM 902 CB PHE B 26 4.783 30.899 -16.670 1.00 0.00 C ATOM 903 CG PHE B 26 4.721 31.878 -17.826 1.00 0.00 C ATOM 904 CD1 PHE B 26 3.699 31.778 -18.780 1.00 0.00 C ATOM 905 CD2 PHE B 26 5.691 32.881 -17.944 1.00 0.00 C ATOM 906 CE1 PHE B 26 3.647 32.683 -19.847 1.00 0.00 C ATOM 907 CE2 PHE B 26 5.639 33.784 -19.012 1.00 0.00 C ATOM 908 CZ PHE B 26 4.617 33.686 -19.963 1.00 0.00 C ATOM 0 H PHE B 26 2.452 30.373 -17.143 1.00 0.00 H new ATOM 0 HA PHE B 26 3.979 30.872 -14.637 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.767 30.942 -16.202 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.650 29.882 -17.040 1.00 0.00 H new ATOM 0 HD1 PHE B 26 2.952 31.003 -18.692 1.00 0.00 H new ATOM 0 HD2 PHE B 26 6.480 32.958 -17.210 1.00 0.00 H new ATOM 0 HE1 PHE B 26 2.858 32.607 -20.581 1.00 0.00 H new ATOM 0 HE2 PHE B 26 6.388 34.557 -19.102 1.00 0.00 H new ATOM 0 HZ PHE B 26 4.577 34.384 -20.786 1.00 0.00 H new ATOM 918 N TYR B 27 2.363 33.135 -14.956 1.00 0.00 N ATOM 919 CA TYR B 27 2.088 34.593 -14.803 1.00 0.00 C ATOM 920 C TYR B 27 1.338 34.856 -13.493 1.00 0.00 C ATOM 921 O TYR B 27 0.438 34.128 -13.125 1.00 0.00 O ATOM 922 CB TYR B 27 1.213 34.958 -16.003 1.00 0.00 C ATOM 923 CG TYR B 27 0.599 36.320 -15.783 1.00 0.00 C ATOM 924 CD1 TYR B 27 1.378 37.365 -15.272 1.00 0.00 C ATOM 925 CD2 TYR B 27 -0.749 36.537 -16.090 1.00 0.00 C ATOM 926 CE1 TYR B 27 0.809 38.628 -15.069 1.00 0.00 C ATOM 927 CE2 TYR B 27 -1.319 37.801 -15.886 1.00 0.00 C ATOM 928 CZ TYR B 27 -0.540 38.846 -15.376 1.00 0.00 C ATOM 929 OH TYR B 27 -1.102 40.090 -15.177 1.00 0.00 O ATOM 0 H TYR B 27 1.632 32.516 -14.604 1.00 0.00 H new ATOM 0 HA TYR B 27 3.003 35.185 -14.769 1.00 0.00 H new ATOM 0 HB2 TYR B 27 1.810 34.960 -16.915 1.00 0.00 H new ATOM 0 HB3 TYR B 27 0.430 34.212 -16.136 1.00 0.00 H new ATOM 0 HD1 TYR B 27 2.418 37.197 -15.034 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -1.350 35.731 -16.484 1.00 0.00 H new ATOM 0 HE1 TYR B 27 1.410 39.434 -14.676 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -2.359 37.969 -16.122 1.00 0.00 H new ATOM 0 HH TYR B 27 -2.045 40.069 -15.442 1.00 0.00 H new ATOM 939 N ALA B 28 1.702 35.892 -12.788 1.00 0.00 N ATOM 940 CA ALA B 28 1.010 36.200 -11.503 1.00 0.00 C ATOM 941 C ALA B 28 -0.423 36.665 -11.772 1.00 0.00 C ATOM 942 O ALA B 28 -0.825 37.653 -11.181 1.00 0.00 O ATOM 943 CB ALA B 28 1.829 37.327 -10.873 1.00 0.00 C ATOM 944 OXT ALA B 28 -1.095 36.023 -12.563 1.00 0.00 O ATOM 0 H ALA B 28 2.448 36.538 -13.045 1.00 0.00 H new ATOM 0 HA ALA B 28 0.944 35.329 -10.851 1.00 0.00 H new ATOM 0 HB1 ALA B 28 1.383 37.612 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA B 28 2.851 36.986 -10.708 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.838 38.188 -11.541 1.00 0.00 H new TER 950 ALA B 28