USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 138:sc= 0.0505 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= -0.317 (180deg=-2.36!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 24 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.46) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 136:sc= 0.0478 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 147:sc= -0.331 (180deg=-2.29!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.146 USER MOD Single : B 24 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.46) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -32.620 -16.718 -27.977 1.00 0.00 N ATOM 2 CA ARG A 1 -31.932 -17.314 -26.795 1.00 0.00 C ATOM 3 C ARG A 1 -30.549 -17.836 -27.196 1.00 0.00 C ATOM 4 O ARG A 1 -30.300 -18.141 -28.345 1.00 0.00 O ATOM 5 CB ARG A 1 -32.832 -18.468 -26.352 1.00 0.00 C ATOM 6 CG ARG A 1 -33.935 -17.932 -25.437 1.00 0.00 C ATOM 7 CD ARG A 1 -35.299 -18.172 -26.087 1.00 0.00 C ATOM 8 NE ARG A 1 -35.946 -19.218 -25.247 1.00 0.00 N ATOM 9 CZ ARG A 1 -36.652 -18.874 -24.204 1.00 0.00 C ATOM 10 NH1 ARG A 1 -36.311 -17.829 -23.502 1.00 0.00 N ATOM 11 NH2 ARG A 1 -37.699 -19.575 -23.865 1.00 0.00 N ATOM 0 H1 ARG A 1 -33.619 -17.006 -27.979 1.00 0.00 H new ATOM 0 H2 ARG A 1 -32.559 -15.681 -27.928 1.00 0.00 H new ATOM 0 H3 ARG A 1 -32.162 -17.051 -28.849 1.00 0.00 H new ATOM 0 HA ARG A 1 -31.779 -16.587 -25.997 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -33.272 -18.955 -27.222 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -32.244 -19.221 -25.828 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -33.890 -18.427 -24.467 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -33.788 -16.867 -25.258 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -35.893 -17.258 -26.107 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -35.191 -18.505 -27.119 1.00 0.00 H new ATOM 0 HE ARG A 1 -35.837 -20.203 -25.487 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -35.493 -17.281 -23.768 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -36.862 -17.560 -22.687 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -37.966 -20.392 -24.415 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -38.251 -19.306 -23.050 1.00 0.00 H new ATOM 27 N MET A 2 -29.648 -17.939 -26.258 1.00 0.00 N ATOM 28 CA MET A 2 -28.283 -18.440 -26.586 1.00 0.00 C ATOM 29 C MET A 2 -27.651 -19.098 -25.356 1.00 0.00 C ATOM 30 O MET A 2 -28.269 -19.218 -24.317 1.00 0.00 O ATOM 31 CB MET A 2 -27.493 -17.198 -26.996 1.00 0.00 C ATOM 32 CG MET A 2 -27.617 -16.988 -28.506 1.00 0.00 C ATOM 33 SD MET A 2 -28.547 -15.469 -28.829 1.00 0.00 S ATOM 34 CE MET A 2 -27.903 -15.158 -30.491 1.00 0.00 C ATOM 0 H MET A 2 -29.798 -17.698 -25.278 1.00 0.00 H new ATOM 0 HA MET A 2 -28.298 -19.192 -27.375 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.869 -16.324 -26.465 1.00 0.00 H new ATOM 0 HB3 MET A 2 -26.445 -17.313 -26.719 1.00 0.00 H new ATOM 0 HG2 MET A 2 -26.627 -16.924 -28.958 1.00 0.00 H new ATOM 0 HG3 MET A 2 -28.121 -17.840 -28.962 1.00 0.00 H new ATOM 0 HE1 MET A 2 -28.352 -14.249 -30.891 1.00 0.00 H new ATOM 0 HE2 MET A 2 -26.821 -15.039 -30.445 1.00 0.00 H new ATOM 0 HE3 MET A 2 -28.148 -15.999 -31.140 1.00 0.00 H new ATOM 44 N LYS A 3 -26.423 -19.525 -25.466 1.00 0.00 N ATOM 45 CA LYS A 3 -25.752 -20.174 -24.302 1.00 0.00 C ATOM 46 C LYS A 3 -24.258 -20.353 -24.586 1.00 0.00 C ATOM 47 O LYS A 3 -23.861 -20.684 -25.685 1.00 0.00 O ATOM 48 CB LYS A 3 -26.438 -21.533 -24.158 1.00 0.00 C ATOM 49 CG LYS A 3 -26.416 -22.262 -25.502 1.00 0.00 C ATOM 50 CD LYS A 3 -27.492 -23.349 -25.511 1.00 0.00 C ATOM 51 CE LYS A 3 -28.547 -23.015 -26.570 1.00 0.00 C ATOM 52 NZ LYS A 3 -29.011 -24.335 -27.078 1.00 0.00 N ATOM 0 H LYS A 3 -25.855 -19.453 -26.310 1.00 0.00 H new ATOM 0 HA LYS A 3 -25.833 -19.578 -23.393 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.930 -22.130 -23.400 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.466 -21.399 -23.822 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.591 -21.556 -26.314 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.435 -22.705 -25.671 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.042 -24.319 -25.724 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.958 -23.422 -24.528 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.371 -22.445 -26.141 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.124 -22.410 -27.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.737 -24.190 -27.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.206 -24.852 -27.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -29.415 -24.886 -26.294 1.00 0.00 H new ATOM 66 N LYS A 4 -23.428 -20.138 -23.602 1.00 0.00 N ATOM 67 CA LYS A 4 -21.961 -20.297 -23.815 1.00 0.00 C ATOM 68 C LYS A 4 -21.311 -20.918 -22.577 1.00 0.00 C ATOM 69 O LYS A 4 -21.968 -21.210 -21.598 1.00 0.00 O ATOM 70 CB LYS A 4 -21.438 -18.877 -24.041 1.00 0.00 C ATOM 71 CG LYS A 4 -22.354 -18.145 -25.024 1.00 0.00 C ATOM 72 CD LYS A 4 -21.535 -17.136 -25.830 1.00 0.00 C ATOM 73 CE LYS A 4 -22.164 -15.747 -25.700 1.00 0.00 C ATOM 74 NZ LYS A 4 -21.110 -14.907 -25.064 1.00 0.00 N ATOM 0 H LYS A 4 -23.702 -19.859 -22.660 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.734 -20.954 -24.655 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.398 -18.338 -23.094 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.421 -18.911 -24.432 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -22.831 -18.860 -25.694 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -23.151 -17.634 -24.484 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.506 -17.116 -25.470 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.500 -17.434 -26.878 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.451 -15.350 -26.674 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -23.067 -15.778 -25.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.466 -13.938 -24.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.862 -15.305 -24.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.266 -14.891 -25.671 1.00 0.00 H new ATOM 88 N LYS A 5 -20.022 -21.123 -22.613 1.00 0.00 N ATOM 89 CA LYS A 5 -19.330 -21.725 -21.436 1.00 0.00 C ATOM 90 C LYS A 5 -17.868 -22.025 -21.779 1.00 0.00 C ATOM 91 O LYS A 5 -17.574 -22.753 -22.705 1.00 0.00 O ATOM 92 CB LYS A 5 -20.091 -23.021 -21.151 1.00 0.00 C ATOM 93 CG LYS A 5 -20.945 -22.846 -19.895 1.00 0.00 C ATOM 94 CD LYS A 5 -22.260 -23.611 -20.060 1.00 0.00 C ATOM 95 CE LYS A 5 -23.369 -22.896 -19.285 1.00 0.00 C ATOM 96 NZ LYS A 5 -24.498 -23.867 -19.247 1.00 0.00 N ATOM 0 H LYS A 5 -19.419 -20.900 -23.405 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.323 -21.058 -20.574 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -20.724 -23.278 -22.001 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.390 -23.844 -21.015 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.406 -23.213 -19.022 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -21.146 -21.789 -19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -22.524 -23.677 -21.115 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -22.147 -24.632 -19.695 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -23.041 -22.632 -18.280 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -23.662 -21.969 -19.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -25.298 -23.449 -18.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -24.793 -24.095 -20.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -24.192 -24.737 -18.765 1.00 0.00 H new ATOM 110 N ASP A 6 -16.950 -21.468 -21.037 1.00 0.00 N ATOM 111 CA ASP A 6 -15.508 -21.722 -21.320 1.00 0.00 C ATOM 112 C ASP A 6 -14.631 -20.822 -20.446 1.00 0.00 C ATOM 113 O ASP A 6 -15.045 -19.765 -20.014 1.00 0.00 O ATOM 114 CB ASP A 6 -15.328 -21.373 -22.799 1.00 0.00 C ATOM 115 CG ASP A 6 -15.163 -22.659 -23.611 1.00 0.00 C ATOM 116 OD1 ASP A 6 -14.661 -23.624 -23.059 1.00 0.00 O ATOM 117 OD2 ASP A 6 -15.542 -22.657 -24.771 1.00 0.00 O ATOM 0 H ASP A 6 -17.135 -20.849 -20.248 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.220 -22.751 -21.105 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.190 -20.812 -23.159 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.455 -20.734 -22.929 1.00 0.00 H new ATOM 122 N GLU A 7 -13.421 -21.235 -20.181 1.00 0.00 N ATOM 123 CA GLU A 7 -12.518 -20.402 -19.334 1.00 0.00 C ATOM 124 C GLU A 7 -11.280 -19.985 -20.132 1.00 0.00 C ATOM 125 O GLU A 7 -11.137 -20.315 -21.292 1.00 0.00 O ATOM 126 CB GLU A 7 -12.125 -21.307 -18.167 1.00 0.00 C ATOM 127 CG GLU A 7 -13.186 -21.216 -17.068 1.00 0.00 C ATOM 128 CD GLU A 7 -13.701 -22.617 -16.738 1.00 0.00 C ATOM 129 OE1 GLU A 7 -12.880 -23.497 -16.539 1.00 0.00 O ATOM 130 OE2 GLU A 7 -14.908 -22.787 -16.688 1.00 0.00 O ATOM 0 H GLU A 7 -13.019 -22.111 -20.513 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.999 -19.485 -18.994 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.028 -22.337 -18.509 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.153 -21.009 -17.774 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.762 -20.754 -16.176 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.010 -20.582 -17.395 1.00 0.00 H new ATOM 137 N GLY A 8 -10.384 -19.262 -19.519 1.00 0.00 N ATOM 138 CA GLY A 8 -9.157 -18.824 -20.243 1.00 0.00 C ATOM 139 C GLY A 8 -8.167 -18.214 -19.250 1.00 0.00 C ATOM 140 O GLY A 8 -8.149 -17.019 -19.031 1.00 0.00 O ATOM 0 H GLY A 8 -10.448 -18.955 -18.548 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.701 -19.673 -20.753 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.416 -18.094 -21.010 1.00 0.00 H new ATOM 144 N SER A 9 -7.343 -19.025 -18.644 1.00 0.00 N ATOM 145 CA SER A 9 -6.358 -18.492 -17.664 1.00 0.00 C ATOM 146 C SER A 9 -5.283 -17.673 -18.384 1.00 0.00 C ATOM 147 O SER A 9 -4.106 -17.957 -18.293 1.00 0.00 O ATOM 148 CB SER A 9 -5.741 -19.728 -17.012 1.00 0.00 C ATOM 149 OG SER A 9 -6.770 -20.506 -16.414 1.00 0.00 O ATOM 0 H SER A 9 -7.310 -20.034 -18.786 1.00 0.00 H new ATOM 0 HA SER A 9 -6.822 -17.832 -16.931 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.209 -20.319 -17.757 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.010 -19.430 -16.260 1.00 0.00 H new ATOM 0 HG SER A 9 -6.378 -21.301 -15.996 1.00 0.00 H new ATOM 155 N TYR A 10 -5.680 -16.656 -19.100 1.00 0.00 N ATOM 156 CA TYR A 10 -4.680 -15.820 -19.825 1.00 0.00 C ATOM 157 C TYR A 10 -5.257 -14.428 -20.100 1.00 0.00 C ATOM 158 O TYR A 10 -6.164 -14.267 -20.892 1.00 0.00 O ATOM 159 CB TYR A 10 -4.420 -16.561 -21.137 1.00 0.00 C ATOM 160 CG TYR A 10 -3.166 -16.019 -21.781 1.00 0.00 C ATOM 161 CD1 TYR A 10 -2.025 -15.788 -21.004 1.00 0.00 C ATOM 162 CD2 TYR A 10 -3.146 -15.750 -23.154 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.862 -15.286 -21.601 1.00 0.00 C ATOM 164 CE2 TYR A 10 -1.983 -15.247 -23.752 1.00 0.00 C ATOM 165 CZ TYR A 10 -0.841 -15.015 -22.975 1.00 0.00 C ATOM 166 OH TYR A 10 0.305 -14.521 -23.564 1.00 0.00 O ATOM 0 H TYR A 10 -6.652 -16.368 -19.214 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.765 -15.678 -19.250 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.312 -17.629 -20.949 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.269 -16.440 -21.810 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.042 -15.997 -19.945 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.027 -15.930 -23.753 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.019 -15.108 -21.002 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.967 -15.038 -24.812 1.00 0.00 H new ATOM 0 HH TYR A 10 0.150 -14.390 -24.523 1.00 0.00 H new ATOM 176 N ASP A 11 -4.737 -13.421 -19.452 1.00 0.00 N ATOM 177 CA ASP A 11 -5.252 -12.044 -19.676 1.00 0.00 C ATOM 178 C ASP A 11 -4.335 -11.020 -19.002 1.00 0.00 C ATOM 179 O ASP A 11 -3.185 -11.292 -18.721 1.00 0.00 O ATOM 180 CB ASP A 11 -6.638 -12.033 -19.032 1.00 0.00 C ATOM 181 CG ASP A 11 -7.709 -12.045 -20.124 1.00 0.00 C ATOM 182 OD1 ASP A 11 -7.837 -11.046 -20.811 1.00 0.00 O ATOM 183 OD2 ASP A 11 -8.383 -13.053 -20.253 1.00 0.00 O ATOM 0 H ASP A 11 -3.976 -13.495 -18.776 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.292 -11.783 -20.734 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.756 -12.901 -18.383 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.752 -11.148 -18.405 1.00 0.00 H new ATOM 188 N LEU A 12 -4.836 -9.843 -18.740 1.00 0.00 N ATOM 189 CA LEU A 12 -3.993 -8.803 -18.084 1.00 0.00 C ATOM 190 C LEU A 12 -2.753 -8.514 -18.934 1.00 0.00 C ATOM 191 O LEU A 12 -2.288 -9.356 -19.677 1.00 0.00 O ATOM 192 CB LEU A 12 -3.593 -9.408 -16.738 1.00 0.00 C ATOM 193 CG LEU A 12 -4.846 -9.856 -15.986 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.465 -10.900 -14.935 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.485 -8.648 -15.295 1.00 0.00 C ATOM 0 H LEU A 12 -5.792 -9.557 -18.952 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.522 -7.858 -17.964 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.926 -10.256 -16.893 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.044 -8.675 -16.147 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.556 -10.291 -16.690 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.359 -11.219 -14.399 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.009 -11.760 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.755 -10.465 -14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.379 -8.966 -14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.775 -8.214 -14.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.757 -7.903 -16.043 1.00 0.00 H new ATOM 207 N GLY A 13 -2.213 -7.330 -18.830 1.00 0.00 N ATOM 208 CA GLY A 13 -1.004 -6.989 -19.631 1.00 0.00 C ATOM 209 C GLY A 13 0.219 -6.939 -18.714 1.00 0.00 C ATOM 210 O GLY A 13 1.133 -7.730 -18.839 1.00 0.00 O ATOM 0 H GLY A 13 -2.557 -6.585 -18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.853 -7.731 -20.415 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.141 -6.027 -20.124 1.00 0.00 H new ATOM 214 N LYS A 14 0.245 -6.016 -17.791 1.00 0.00 N ATOM 215 CA LYS A 14 1.409 -5.918 -16.867 1.00 0.00 C ATOM 216 C LYS A 14 1.106 -4.938 -15.730 1.00 0.00 C ATOM 217 O LYS A 14 0.503 -5.294 -14.737 1.00 0.00 O ATOM 218 CB LYS A 14 2.564 -5.411 -17.733 1.00 0.00 C ATOM 219 CG LYS A 14 3.369 -6.601 -18.259 1.00 0.00 C ATOM 220 CD LYS A 14 3.269 -6.650 -19.785 1.00 0.00 C ATOM 221 CE LYS A 14 3.661 -8.045 -20.278 1.00 0.00 C ATOM 222 NZ LYS A 14 4.463 -7.805 -21.511 1.00 0.00 N ATOM 0 H LYS A 14 -0.490 -5.326 -17.638 1.00 0.00 H new ATOM 0 HA LYS A 14 1.646 -6.873 -16.399 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.177 -4.824 -18.566 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.208 -4.752 -17.150 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.412 -6.511 -17.955 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.990 -7.528 -17.829 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.253 -6.413 -20.101 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.924 -5.899 -20.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.242 -8.581 -19.527 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.780 -8.651 -20.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.769 -8.716 -21.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.882 -7.300 -22.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.298 -7.232 -21.276 1.00 0.00 H new ATOM 236 N LYS A 15 1.517 -3.709 -15.863 1.00 0.00 N ATOM 237 CA LYS A 15 1.251 -2.713 -14.786 1.00 0.00 C ATOM 238 C LYS A 15 1.025 -1.326 -15.406 1.00 0.00 C ATOM 239 O LYS A 15 1.777 -0.898 -16.259 1.00 0.00 O ATOM 240 CB LYS A 15 2.512 -2.761 -13.900 1.00 0.00 C ATOM 241 CG LYS A 15 3.084 -1.356 -13.670 1.00 0.00 C ATOM 242 CD LYS A 15 4.340 -1.450 -12.803 1.00 0.00 C ATOM 243 CE LYS A 15 5.501 -0.745 -13.507 1.00 0.00 C ATOM 244 NZ LYS A 15 6.657 -0.887 -12.579 1.00 0.00 N ATOM 0 H LYS A 15 2.026 -3.350 -16.671 1.00 0.00 H new ATOM 0 HA LYS A 15 0.355 -2.928 -14.204 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.268 -3.218 -12.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.267 -3.391 -14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.323 -0.889 -14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.340 -0.725 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.159 -0.992 -11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.592 -2.495 -12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.712 -1.202 -14.474 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.271 0.304 -13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.493 -0.427 -12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.429 -0.437 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.857 -1.896 -12.425 1.00 0.00 H new ATOM 258 N PRO A 16 -0.009 -0.671 -14.949 1.00 0.00 N ATOM 259 CA PRO A 16 -0.343 0.681 -15.461 1.00 0.00 C ATOM 260 C PRO A 16 0.658 1.714 -14.940 1.00 0.00 C ATOM 261 O PRO A 16 1.240 1.554 -13.886 1.00 0.00 O ATOM 262 CB PRO A 16 -1.737 0.942 -14.897 1.00 0.00 C ATOM 263 CG PRO A 16 -1.831 0.078 -13.681 1.00 0.00 C ATOM 264 CD PRO A 16 -0.955 -1.123 -13.924 1.00 0.00 C ATOM 0 HA PRO A 16 -0.308 0.748 -16.548 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.870 1.994 -14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.510 0.688 -15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.502 0.622 -12.795 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.862 -0.227 -13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.440 -1.432 -13.014 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.537 -1.978 -14.267 1.00 0.00 H new ATOM 272 N ILE A 17 0.860 2.776 -15.671 1.00 0.00 N ATOM 273 CA ILE A 17 1.817 3.823 -15.223 1.00 0.00 C ATOM 274 C ILE A 17 1.196 5.204 -15.433 1.00 0.00 C ATOM 275 O ILE A 17 0.058 5.321 -15.831 1.00 0.00 O ATOM 276 CB ILE A 17 3.057 3.668 -16.104 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.378 2.186 -16.339 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.250 4.336 -15.420 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.167 2.046 -17.642 1.00 0.00 C ATOM 0 H ILE A 17 0.401 2.963 -16.562 1.00 0.00 H new ATOM 0 HA ILE A 17 2.065 3.721 -14.167 1.00 0.00 H new ATOM 0 HB ILE A 17 2.860 4.141 -17.066 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.956 1.790 -15.505 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.457 1.606 -16.393 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.136 4.227 -16.046 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.038 5.395 -15.272 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.428 3.863 -14.454 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.399 0.995 -17.816 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.571 2.428 -18.471 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.094 2.615 -17.569 1.00 0.00 H new ATOM 291 N TYR A 18 1.930 6.248 -15.178 1.00 0.00 N ATOM 292 CA TYR A 18 1.367 7.615 -15.377 1.00 0.00 C ATOM 293 C TYR A 18 2.468 8.669 -15.241 1.00 0.00 C ATOM 294 O TYR A 18 2.648 9.263 -14.196 1.00 0.00 O ATOM 295 CB TYR A 18 0.320 7.776 -14.274 1.00 0.00 C ATOM 296 CG TYR A 18 -1.055 7.882 -14.895 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.503 9.111 -15.393 1.00 0.00 C ATOM 298 CD2 TYR A 18 -1.880 6.753 -14.972 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.776 9.212 -15.967 1.00 0.00 C ATOM 300 CE2 TYR A 18 -3.153 6.855 -15.546 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.601 8.084 -16.043 1.00 0.00 C ATOM 302 OH TYR A 18 -4.856 8.183 -16.609 1.00 0.00 O ATOM 0 H TYR A 18 2.892 6.217 -14.841 1.00 0.00 H new ATOM 0 HA TYR A 18 0.934 7.744 -16.369 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.359 6.925 -13.594 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.533 8.667 -13.683 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.867 9.982 -15.334 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.535 5.804 -14.589 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.121 10.160 -16.351 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.790 5.985 -15.605 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.296 7.308 -16.583 1.00 0.00 H new ATOM 312 N LYS A 19 3.206 8.906 -16.291 1.00 0.00 N ATOM 313 CA LYS A 19 4.296 9.923 -16.224 1.00 0.00 C ATOM 314 C LYS A 19 4.697 10.357 -17.637 1.00 0.00 C ATOM 315 O LYS A 19 5.385 9.648 -18.341 1.00 0.00 O ATOM 316 CB LYS A 19 5.460 9.212 -15.531 1.00 0.00 C ATOM 317 CG LYS A 19 6.029 10.116 -14.435 1.00 0.00 C ATOM 318 CD LYS A 19 6.023 9.367 -13.101 1.00 0.00 C ATOM 319 CE LYS A 19 6.935 8.142 -13.199 1.00 0.00 C ATOM 320 NZ LYS A 19 8.012 8.384 -12.198 1.00 0.00 N ATOM 0 H LYS A 19 3.102 8.440 -17.192 1.00 0.00 H new ATOM 0 HA LYS A 19 3.992 10.822 -15.688 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.120 8.270 -15.101 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.236 8.969 -16.257 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.045 10.419 -14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.435 11.027 -14.355 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.364 10.024 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.008 9.059 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.389 7.225 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.346 8.035 -14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.679 7.586 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.518 9.260 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.592 8.475 -11.251 1.00 0.00 H new ATOM 334 N LYS A 20 4.268 11.519 -18.055 1.00 0.00 N ATOM 335 CA LYS A 20 4.621 12.004 -19.422 1.00 0.00 C ATOM 336 C LYS A 20 3.785 13.242 -19.774 1.00 0.00 C ATOM 337 O LYS A 20 2.614 13.321 -19.462 1.00 0.00 O ATOM 338 CB LYS A 20 4.285 10.836 -20.361 1.00 0.00 C ATOM 339 CG LYS A 20 4.075 11.351 -21.788 1.00 0.00 C ATOM 340 CD LYS A 20 5.205 12.313 -22.158 1.00 0.00 C ATOM 341 CE LYS A 20 5.947 11.781 -23.386 1.00 0.00 C ATOM 342 NZ LYS A 20 4.882 11.525 -24.397 1.00 0.00 N ATOM 0 H LYS A 20 3.687 12.154 -17.508 1.00 0.00 H new ATOM 0 HA LYS A 20 5.668 12.296 -19.501 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.092 10.103 -20.346 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.386 10.327 -20.014 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.052 10.515 -22.487 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.113 11.858 -21.865 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.800 13.304 -22.365 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.895 12.419 -21.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.674 12.506 -23.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.496 10.869 -23.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.241 11.754 -25.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.606 10.523 -24.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.054 12.119 -24.187 1.00 0.00 H new ATOM 356 N ALA A 21 4.379 14.204 -20.427 1.00 0.00 N ATOM 357 CA ALA A 21 3.618 15.431 -20.803 1.00 0.00 C ATOM 358 C ALA A 21 4.306 16.142 -21.971 1.00 0.00 C ATOM 359 O ALA A 21 5.516 16.256 -22.003 1.00 0.00 O ATOM 360 CB ALA A 21 3.639 16.309 -19.553 1.00 0.00 C ATOM 0 H ALA A 21 5.357 14.194 -20.716 1.00 0.00 H new ATOM 0 HA ALA A 21 2.601 15.204 -21.124 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.098 17.234 -19.749 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.164 15.779 -18.728 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.671 16.541 -19.289 1.00 0.00 H new ATOM 366 N PRO A 22 3.505 16.598 -22.893 1.00 0.00 N ATOM 367 CA PRO A 22 4.036 17.310 -24.082 1.00 0.00 C ATOM 368 C PRO A 22 4.523 18.710 -23.695 1.00 0.00 C ATOM 369 O PRO A 22 3.739 19.590 -23.404 1.00 0.00 O ATOM 370 CB PRO A 22 2.834 17.392 -25.017 1.00 0.00 C ATOM 371 CG PRO A 22 1.639 17.310 -24.121 1.00 0.00 C ATOM 372 CD PRO A 22 2.042 16.498 -22.917 1.00 0.00 C ATOM 0 HA PRO A 22 4.890 16.807 -24.536 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.838 18.323 -25.585 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.841 16.577 -25.741 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.313 18.306 -23.822 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.801 16.842 -24.638 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.600 16.894 -22.003 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.714 15.462 -23.007 1.00 0.00 H new ATOM 380 N THR A 23 5.811 18.919 -23.687 1.00 0.00 N ATOM 381 CA THR A 23 6.350 20.258 -23.318 1.00 0.00 C ATOM 382 C THR A 23 5.512 21.364 -23.967 1.00 0.00 C ATOM 383 O THR A 23 4.827 21.143 -24.946 1.00 0.00 O ATOM 384 CB THR A 23 7.778 20.276 -23.866 1.00 0.00 C ATOM 385 OG1 THR A 23 8.285 18.949 -23.903 1.00 0.00 O ATOM 386 CG2 THR A 23 8.661 21.137 -22.961 1.00 0.00 C ATOM 0 H THR A 23 6.515 18.218 -23.921 1.00 0.00 H new ATOM 0 HA THR A 23 6.324 20.430 -22.242 1.00 0.00 H new ATOM 0 HB THR A 23 7.777 20.693 -24.873 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.199 18.958 -24.255 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.679 21.150 -23.351 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.270 22.154 -22.932 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.664 20.721 -21.953 1.00 0.00 H new ATOM 394 N ASN A 24 5.561 22.552 -23.430 1.00 0.00 N ATOM 395 CA ASN A 24 4.768 23.670 -24.017 1.00 0.00 C ATOM 396 C ASN A 24 5.668 24.565 -24.873 1.00 0.00 C ATOM 397 O ASN A 24 6.879 24.529 -24.765 1.00 0.00 O ATOM 398 CB ASN A 24 4.227 24.445 -22.815 1.00 0.00 C ATOM 399 CG ASN A 24 3.412 25.643 -23.305 1.00 0.00 C ATOM 400 OD1 ASN A 24 2.422 25.480 -23.990 1.00 0.00 O ATOM 401 ND2 ASN A 24 3.789 26.850 -22.982 1.00 0.00 N ATOM 0 H ASN A 24 6.116 22.797 -22.610 1.00 0.00 H new ATOM 0 HA ASN A 24 3.968 23.313 -24.665 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.604 23.795 -22.200 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.051 24.784 -22.187 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.253 27.655 -23.305 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.620 26.988 -22.407 1.00 0.00 H new ATOM 408 N GLU A 25 5.088 25.369 -25.722 1.00 0.00 N ATOM 409 CA GLU A 25 5.911 26.264 -26.583 1.00 0.00 C ATOM 410 C GLU A 25 5.357 27.692 -26.543 1.00 0.00 C ATOM 411 O GLU A 25 4.771 28.113 -25.565 1.00 0.00 O ATOM 412 CB GLU A 25 5.790 25.681 -27.991 1.00 0.00 C ATOM 413 CG GLU A 25 7.160 25.699 -28.671 1.00 0.00 C ATOM 414 CD GLU A 25 7.074 26.496 -29.974 1.00 0.00 C ATOM 415 OE1 GLU A 25 6.441 26.015 -30.899 1.00 0.00 O ATOM 416 OE2 GLU A 25 7.643 27.574 -30.024 1.00 0.00 O ATOM 0 H GLU A 25 4.080 25.444 -25.856 1.00 0.00 H new ATOM 0 HA GLU A 25 6.948 26.316 -26.252 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.410 24.661 -27.942 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.075 26.260 -28.575 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.901 26.145 -28.008 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.489 24.680 -28.877 1.00 0.00 H new ATOM 423 N PHE A 26 5.539 28.439 -27.598 1.00 0.00 N ATOM 424 CA PHE A 26 5.023 29.837 -27.619 1.00 0.00 C ATOM 425 C PHE A 26 4.134 30.055 -28.846 1.00 0.00 C ATOM 426 O PHE A 26 4.062 29.221 -29.728 1.00 0.00 O ATOM 427 CB PHE A 26 6.270 30.718 -27.697 1.00 0.00 C ATOM 428 CG PHE A 26 5.868 32.131 -28.043 1.00 0.00 C ATOM 429 CD1 PHE A 26 5.490 33.020 -27.029 1.00 0.00 C ATOM 430 CD2 PHE A 26 5.871 32.553 -29.377 1.00 0.00 C ATOM 431 CE1 PHE A 26 5.117 34.331 -27.350 1.00 0.00 C ATOM 432 CE2 PHE A 26 5.498 33.863 -29.699 1.00 0.00 C ATOM 433 CZ PHE A 26 5.120 34.752 -28.685 1.00 0.00 C ATOM 0 H PHE A 26 6.022 28.142 -28.446 1.00 0.00 H new ATOM 0 HA PHE A 26 4.416 30.066 -26.743 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.799 30.702 -26.744 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.956 30.329 -28.449 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.486 32.694 -25.999 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.161 31.867 -30.159 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.827 35.017 -26.568 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.502 34.188 -30.729 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.831 35.763 -28.933 1.00 0.00 H new ATOM 443 N TYR A 27 3.457 31.169 -28.911 1.00 0.00 N ATOM 444 CA TYR A 27 2.574 31.438 -30.081 1.00 0.00 C ATOM 445 C TYR A 27 2.321 32.942 -30.219 1.00 0.00 C ATOM 446 O TYR A 27 2.671 33.720 -29.354 1.00 0.00 O ATOM 447 CB TYR A 27 1.271 30.700 -29.773 1.00 0.00 C ATOM 448 CG TYR A 27 0.189 31.174 -30.713 1.00 0.00 C ATOM 449 CD1 TYR A 27 0.010 30.543 -31.950 1.00 0.00 C ATOM 450 CD2 TYR A 27 -0.636 32.245 -30.348 1.00 0.00 C ATOM 451 CE1 TYR A 27 -0.993 30.984 -32.822 1.00 0.00 C ATOM 452 CE2 TYR A 27 -1.639 32.686 -31.219 1.00 0.00 C ATOM 453 CZ TYR A 27 -1.818 32.055 -32.456 1.00 0.00 C ATOM 454 OH TYR A 27 -2.808 32.488 -33.315 1.00 0.00 O ATOM 0 H TYR A 27 3.477 31.904 -28.204 1.00 0.00 H new ATOM 0 HA TYR A 27 3.019 31.104 -31.019 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.415 29.625 -29.880 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.974 30.880 -28.740 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.645 29.716 -32.232 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.498 32.731 -29.394 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.130 30.498 -33.777 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.274 33.513 -30.937 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.289 33.238 -32.908 1.00 0.00 H new ATOM 464 N ALA A 28 1.715 33.355 -31.298 1.00 0.00 N ATOM 465 CA ALA A 28 1.440 34.808 -31.488 1.00 0.00 C ATOM 466 C ALA A 28 0.034 35.010 -32.060 1.00 0.00 C ATOM 467 O ALA A 28 -0.305 34.317 -33.005 1.00 0.00 O ATOM 468 CB ALA A 28 2.498 35.284 -32.484 1.00 0.00 C ATOM 469 OXT ALA A 28 -0.678 35.856 -31.544 1.00 0.00 O ATOM 0 H ALA A 28 1.398 32.750 -32.056 1.00 0.00 H new ATOM 0 HA ALA A 28 1.484 35.363 -30.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.363 36.348 -32.677 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.491 35.114 -32.069 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.395 34.730 -33.417 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 23.096 -27.593 -3.434 1.00 0.00 N ATOM 477 CA ARG B 1 22.188 -27.979 -4.552 1.00 0.00 C ATOM 478 C ARG B 1 20.727 -27.813 -4.128 1.00 0.00 C ATOM 479 O ARG B 1 20.402 -27.842 -2.958 1.00 0.00 O ATOM 480 CB ARG B 1 22.502 -29.450 -4.828 1.00 0.00 C ATOM 481 CG ARG B 1 23.703 -29.547 -5.771 1.00 0.00 C ATOM 482 CD ARG B 1 24.855 -30.263 -5.060 1.00 0.00 C ATOM 483 NE ARG B 1 24.974 -31.577 -5.750 1.00 0.00 N ATOM 484 CZ ARG B 1 25.731 -31.694 -6.807 1.00 0.00 C ATOM 485 NH1 ARG B 1 25.845 -30.695 -7.640 1.00 0.00 N ATOM 486 NH2 ARG B 1 26.373 -32.808 -7.030 1.00 0.00 N ATOM 0 H1 ARG B 1 23.860 -28.294 -3.349 1.00 0.00 H new ATOM 0 H2 ARG B 1 23.505 -26.656 -3.627 1.00 0.00 H new ATOM 0 H3 ARG B 1 22.557 -27.559 -2.545 1.00 0.00 H new ATOM 0 HA ARG B 1 22.335 -27.358 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG B 1 22.717 -29.969 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG B 1 21.636 -29.940 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG B 1 23.426 -30.090 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG B 1 24.017 -28.550 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG B 1 25.781 -29.692 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG B 1 24.645 -30.392 -3.998 1.00 0.00 H new ATOM 0 HE ARG B 1 24.464 -32.386 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG B 1 25.343 -29.825 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG B 1 26.436 -30.785 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG B 1 26.283 -33.588 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG B 1 26.964 -32.899 -7.856 1.00 0.00 H new ATOM 502 N MET B 2 19.841 -27.638 -5.072 1.00 0.00 N ATOM 503 CA MET B 2 18.402 -27.470 -4.721 1.00 0.00 C ATOM 504 C MET B 2 17.517 -27.941 -5.879 1.00 0.00 C ATOM 505 O MET B 2 17.998 -28.437 -6.879 1.00 0.00 O ATOM 506 CB MET B 2 18.223 -25.970 -4.487 1.00 0.00 C ATOM 507 CG MET B 2 18.467 -25.651 -3.011 1.00 0.00 C ATOM 508 SD MET B 2 19.960 -24.642 -2.849 1.00 0.00 S ATOM 509 CE MET B 2 19.554 -23.889 -1.255 1.00 0.00 C ATOM 0 H MET B 2 20.052 -27.604 -6.069 1.00 0.00 H new ATOM 0 HA MET B 2 18.120 -28.056 -3.846 1.00 0.00 H new ATOM 0 HB2 MET B 2 18.918 -25.408 -5.111 1.00 0.00 H new ATOM 0 HB3 MET B 2 17.217 -25.664 -4.775 1.00 0.00 H new ATOM 0 HG2 MET B 2 17.610 -25.120 -2.596 1.00 0.00 H new ATOM 0 HG3 MET B 2 18.576 -26.574 -2.442 1.00 0.00 H new ATOM 0 HE1 MET B 2 20.356 -23.214 -0.957 1.00 0.00 H new ATOM 0 HE2 MET B 2 18.623 -23.329 -1.344 1.00 0.00 H new ATOM 0 HE3 MET B 2 19.438 -24.669 -0.503 1.00 0.00 H new ATOM 519 N LYS B 3 16.228 -27.790 -5.752 1.00 0.00 N ATOM 520 CA LYS B 3 15.314 -28.230 -6.846 1.00 0.00 C ATOM 521 C LYS B 3 13.893 -27.724 -6.585 1.00 0.00 C ATOM 522 O LYS B 3 13.422 -27.719 -5.464 1.00 0.00 O ATOM 523 CB LYS B 3 15.356 -29.757 -6.807 1.00 0.00 C ATOM 524 CG LYS B 3 15.063 -30.240 -5.385 1.00 0.00 C ATOM 525 CD LYS B 3 15.577 -31.671 -5.215 1.00 0.00 C ATOM 526 CE LYS B 3 16.702 -31.689 -4.177 1.00 0.00 C ATOM 527 NZ LYS B 3 16.577 -33.010 -3.500 1.00 0.00 N ATOM 0 H LYS B 3 15.767 -27.381 -4.939 1.00 0.00 H new ATOM 0 HA LYS B 3 15.615 -27.839 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS B 3 14.623 -30.169 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS B 3 16.335 -30.113 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS B 3 15.542 -29.582 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS B 3 13.991 -30.202 -5.190 1.00 0.00 H new ATOM 0 HD2 LYS B 3 14.765 -32.325 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS B 3 15.941 -32.054 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS B 3 17.678 -31.578 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS B 3 16.597 -30.869 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 17.315 -33.099 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 15.641 -33.084 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 16.688 -33.771 -4.200 1.00 0.00 H new ATOM 541 N LYS B 4 13.207 -27.297 -7.609 1.00 0.00 N ATOM 542 CA LYS B 4 11.816 -26.792 -7.417 1.00 0.00 C ATOM 543 C LYS B 4 10.930 -27.225 -8.588 1.00 0.00 C ATOM 544 O LYS B 4 11.376 -27.884 -9.506 1.00 0.00 O ATOM 545 CB LYS B 4 11.950 -25.270 -7.379 1.00 0.00 C ATOM 546 CG LYS B 4 13.117 -24.882 -6.468 1.00 0.00 C ATOM 547 CD LYS B 4 12.825 -23.530 -5.812 1.00 0.00 C ATOM 548 CE LYS B 4 13.979 -22.565 -6.094 1.00 0.00 C ATOM 549 NZ LYS B 4 13.364 -21.442 -6.853 1.00 0.00 N ATOM 0 H LYS B 4 13.548 -27.275 -8.570 1.00 0.00 H new ATOM 0 HA LYS B 4 11.355 -27.183 -6.510 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.116 -24.884 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.026 -24.822 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS B 4 13.265 -25.645 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS B 4 14.040 -24.826 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS B 4 11.892 -23.120 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS B 4 12.697 -23.656 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS B 4 14.435 -22.213 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS B 4 14.766 -23.049 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 14.094 -20.738 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.944 -21.806 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.624 -20.996 -6.274 1.00 0.00 H new ATOM 563 N LYS B 5 9.678 -26.858 -8.564 1.00 0.00 N ATOM 564 CA LYS B 5 8.765 -27.249 -9.676 1.00 0.00 C ATOM 565 C LYS B 5 7.323 -26.856 -9.340 1.00 0.00 C ATOM 566 O LYS B 5 6.774 -27.273 -8.339 1.00 0.00 O ATOM 567 CB LYS B 5 8.896 -28.768 -9.781 1.00 0.00 C ATOM 568 CG LYS B 5 9.711 -29.126 -11.027 1.00 0.00 C ATOM 569 CD LYS B 5 10.580 -30.350 -10.735 1.00 0.00 C ATOM 570 CE LYS B 5 11.867 -30.271 -11.560 1.00 0.00 C ATOM 571 NZ LYS B 5 12.477 -31.625 -11.448 1.00 0.00 N ATOM 0 H LYS B 5 9.248 -26.305 -7.823 1.00 0.00 H new ATOM 0 HA LYS B 5 9.019 -26.753 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS B 5 9.382 -29.164 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS B 5 7.908 -29.226 -9.836 1.00 0.00 H new ATOM 0 HG2 LYS B 5 9.044 -29.332 -11.864 1.00 0.00 H new ATOM 0 HG3 LYS B 5 10.338 -28.283 -11.319 1.00 0.00 H new ATOM 0 HD2 LYS B 5 10.819 -30.395 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS B 5 10.035 -31.262 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS B 5 11.656 -30.018 -12.599 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.537 -29.503 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.365 -31.651 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 12.673 -31.836 -10.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.819 -32.335 -11.829 1.00 0.00 H new ATOM 585 N ASP B 6 6.707 -26.058 -10.168 1.00 0.00 N ATOM 586 CA ASP B 6 5.302 -25.640 -9.894 1.00 0.00 C ATOM 587 C ASP B 6 4.866 -24.566 -10.896 1.00 0.00 C ATOM 588 O ASP B 6 5.678 -23.846 -11.440 1.00 0.00 O ATOM 589 CB ASP B 6 5.327 -25.071 -8.475 1.00 0.00 C ATOM 590 CG ASP B 6 4.655 -26.057 -7.518 1.00 0.00 C ATOM 591 OD1 ASP B 6 3.777 -26.779 -7.963 1.00 0.00 O ATOM 592 OD2 ASP B 6 5.030 -26.075 -6.357 1.00 0.00 O ATOM 0 H ASP B 6 7.115 -25.677 -11.022 1.00 0.00 H new ATOM 0 HA ASP B 6 4.599 -26.467 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP B 6 6.355 -24.889 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP B 6 4.810 -24.112 -8.447 1.00 0.00 H new ATOM 597 N GLU B 7 3.588 -24.456 -11.140 1.00 0.00 N ATOM 598 CA GLU B 7 3.102 -23.429 -12.106 1.00 0.00 C ATOM 599 C GLU B 7 2.179 -22.433 -11.399 1.00 0.00 C ATOM 600 O GLU B 7 1.940 -22.528 -10.210 1.00 0.00 O ATOM 601 CB GLU B 7 2.330 -24.215 -13.166 1.00 0.00 C ATOM 602 CG GLU B 7 3.300 -24.716 -14.238 1.00 0.00 C ATOM 603 CD GLU B 7 3.163 -26.233 -14.383 1.00 0.00 C ATOM 604 OE1 GLU B 7 2.041 -26.699 -14.495 1.00 0.00 O ATOM 605 OE2 GLU B 7 4.183 -26.903 -14.378 1.00 0.00 O ATOM 0 H GLU B 7 2.861 -25.031 -10.714 1.00 0.00 H new ATOM 0 HA GLU B 7 3.919 -22.852 -12.541 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.814 -25.057 -12.705 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.566 -23.582 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU B 7 3.090 -24.229 -15.190 1.00 0.00 H new ATOM 0 HG3 GLU B 7 4.323 -24.457 -13.967 1.00 0.00 H new ATOM 612 N GLY B 8 1.657 -21.478 -12.118 1.00 0.00 N ATOM 613 CA GLY B 8 0.751 -20.478 -11.486 1.00 0.00 C ATOM 614 C GLY B 8 0.086 -19.631 -12.573 1.00 0.00 C ATOM 615 O GLY B 8 0.571 -18.577 -12.936 1.00 0.00 O ATOM 0 H GLY B 8 1.819 -21.347 -13.117 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.008 -20.985 -10.890 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.315 -19.839 -10.807 1.00 0.00 H new ATOM 619 N SER B 9 -1.020 -20.083 -13.098 1.00 0.00 N ATOM 620 CA SER B 9 -1.712 -19.306 -14.161 1.00 0.00 C ATOM 621 C SER B 9 -2.318 -18.027 -13.574 1.00 0.00 C ATOM 622 O SER B 9 -3.508 -17.796 -13.663 1.00 0.00 O ATOM 623 CB SER B 9 -2.812 -20.234 -14.676 1.00 0.00 C ATOM 624 OG SER B 9 -2.227 -21.440 -15.147 1.00 0.00 O ATOM 0 H SER B 9 -1.474 -20.958 -12.835 1.00 0.00 H new ATOM 0 HA SER B 9 -1.033 -18.998 -14.956 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.525 -20.449 -13.880 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.367 -19.748 -15.478 1.00 0.00 H new ATOM 0 HG SER B 9 -2.930 -22.038 -15.476 1.00 0.00 H new ATOM 630 N TYR B 10 -1.509 -17.197 -12.977 1.00 0.00 N ATOM 631 CA TYR B 10 -2.039 -15.934 -12.386 1.00 0.00 C ATOM 632 C TYR B 10 -0.920 -14.896 -12.267 1.00 0.00 C ATOM 633 O TYR B 10 -0.010 -15.040 -11.475 1.00 0.00 O ATOM 634 CB TYR B 10 -2.554 -16.331 -11.002 1.00 0.00 C ATOM 635 CG TYR B 10 -3.443 -15.236 -10.463 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.399 -14.637 -11.292 1.00 0.00 C ATOM 637 CD2 TYR B 10 -3.310 -14.818 -9.134 1.00 0.00 C ATOM 638 CE1 TYR B 10 -5.223 -13.621 -10.792 1.00 0.00 C ATOM 639 CE2 TYR B 10 -4.133 -13.802 -8.633 1.00 0.00 C ATOM 640 CZ TYR B 10 -5.089 -13.204 -9.462 1.00 0.00 C ATOM 641 OH TYR B 10 -5.902 -12.203 -8.968 1.00 0.00 O ATOM 0 H TYR B 10 -0.504 -17.337 -12.872 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.822 -15.487 -12.999 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -3.109 -17.267 -11.063 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -1.716 -16.500 -10.325 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -4.501 -14.959 -12.318 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -2.572 -15.279 -8.494 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.961 -13.160 -11.431 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.030 -13.480 -7.607 1.00 0.00 H new ATOM 0 HH TYR B 10 -5.680 -12.035 -8.028 1.00 0.00 H new ATOM 651 N ASP B 11 -0.983 -13.851 -13.045 1.00 0.00 N ATOM 652 CA ASP B 11 0.073 -12.806 -12.977 1.00 0.00 C ATOM 653 C ASP B 11 -0.340 -11.579 -13.794 1.00 0.00 C ATOM 654 O ASP B 11 -1.505 -11.370 -14.070 1.00 0.00 O ATOM 655 CB ASP B 11 1.315 -13.461 -13.579 1.00 0.00 C ATOM 656 CG ASP B 11 2.310 -13.794 -12.466 1.00 0.00 C ATOM 657 OD1 ASP B 11 2.868 -12.868 -11.901 1.00 0.00 O ATOM 658 OD2 ASP B 11 2.496 -14.969 -12.196 1.00 0.00 O ATOM 0 H ASP B 11 -1.722 -13.677 -13.726 1.00 0.00 H new ATOM 0 HA ASP B 11 0.248 -12.461 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.036 -14.368 -14.115 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.776 -12.791 -14.305 1.00 0.00 H new ATOM 663 N LEU B 12 0.604 -10.767 -14.183 1.00 0.00 N ATOM 664 CA LEU B 12 0.264 -9.555 -14.982 1.00 0.00 C ATOM 665 C LEU B 12 -0.714 -8.667 -14.207 1.00 0.00 C ATOM 666 O LEU B 12 -1.471 -9.137 -13.381 1.00 0.00 O ATOM 667 CB LEU B 12 -0.391 -10.091 -16.255 1.00 0.00 C ATOM 668 CG LEU B 12 0.533 -11.116 -16.914 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.282 -12.020 -17.841 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.604 -10.387 -17.727 1.00 0.00 C ATOM 0 H LEU B 12 1.596 -10.890 -13.982 1.00 0.00 H new ATOM 0 HA LEU B 12 1.141 -8.945 -15.201 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.350 -10.551 -16.017 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.593 -9.272 -16.945 1.00 0.00 H new ATOM 0 HG LEU B 12 1.009 -11.722 -16.144 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.378 -12.750 -18.310 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.046 -12.540 -17.263 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.760 -11.415 -18.612 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.263 -11.117 -18.197 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.127 -9.780 -18.497 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.186 -9.744 -17.067 1.00 0.00 H new ATOM 682 N GLY B 13 -0.703 -7.390 -14.469 1.00 0.00 N ATOM 683 CA GLY B 13 -1.632 -6.473 -13.748 1.00 0.00 C ATOM 684 C GLY B 13 -2.743 -6.021 -14.696 1.00 0.00 C ATOM 685 O GLY B 13 -3.902 -6.329 -14.501 1.00 0.00 O ATOM 0 H GLY B 13 -0.092 -6.941 -15.151 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -2.061 -6.979 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.086 -5.608 -13.372 1.00 0.00 H new ATOM 689 N LYS B 14 -2.400 -5.294 -15.726 1.00 0.00 N ATOM 690 CA LYS B 14 -3.437 -4.825 -16.685 1.00 0.00 C ATOM 691 C LYS B 14 -2.777 -4.211 -17.925 1.00 0.00 C ATOM 692 O LYS B 14 -2.410 -4.907 -18.850 1.00 0.00 O ATOM 693 CB LYS B 14 -4.245 -3.775 -15.920 1.00 0.00 C ATOM 694 CG LYS B 14 -5.464 -4.438 -15.275 1.00 0.00 C ATOM 695 CD LYS B 14 -5.352 -4.340 -13.751 1.00 0.00 C ATOM 696 CE LYS B 14 -6.285 -5.366 -13.104 1.00 0.00 C ATOM 697 NZ LYS B 14 -6.876 -4.662 -11.932 1.00 0.00 N ATOM 0 H LYS B 14 -1.446 -5.006 -15.943 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.069 -5.639 -17.039 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.624 -3.309 -15.155 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.565 -2.983 -16.597 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -6.378 -3.952 -15.615 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.527 -5.483 -15.579 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -4.323 -4.520 -13.439 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -5.614 -3.335 -13.420 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -7.058 -5.691 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -5.739 -6.257 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -7.529 -5.302 -11.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -6.117 -4.370 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -7.396 -3.822 -12.257 1.00 0.00 H new ATOM 711 N LYS B 15 -2.626 -2.917 -17.953 1.00 0.00 N ATOM 712 CA LYS B 15 -1.992 -2.266 -19.134 1.00 0.00 C ATOM 713 C LYS B 15 -1.183 -1.042 -18.681 1.00 0.00 C ATOM 714 O LYS B 15 -1.660 -0.236 -17.907 1.00 0.00 O ATOM 715 CB LYS B 15 -3.179 -1.883 -20.042 1.00 0.00 C ATOM 716 CG LYS B 15 -3.107 -0.406 -20.455 1.00 0.00 C ATOM 717 CD LYS B 15 -4.308 -0.064 -21.339 1.00 0.00 C ATOM 718 CE LYS B 15 -5.041 1.146 -20.756 1.00 0.00 C ATOM 719 NZ LYS B 15 -6.173 1.396 -21.693 1.00 0.00 N ATOM 0 H LYS B 15 -2.914 -2.281 -17.209 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.287 -2.909 -19.661 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -3.178 -2.513 -20.932 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -4.116 -2.072 -19.519 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -3.101 0.230 -19.570 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -2.179 -0.213 -20.993 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -3.976 0.153 -22.354 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -4.983 -0.917 -21.400 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -5.401 0.942 -19.747 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -4.383 2.013 -20.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -6.725 2.213 -21.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -5.800 1.594 -22.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.785 0.556 -21.729 1.00 0.00 H new ATOM 733 N PRO B 16 0.018 -0.948 -19.186 1.00 0.00 N ATOM 734 CA PRO B 16 0.907 0.187 -18.833 1.00 0.00 C ATOM 735 C PRO B 16 0.424 1.475 -19.502 1.00 0.00 C ATOM 736 O PRO B 16 -0.199 1.450 -20.545 1.00 0.00 O ATOM 737 CB PRO B 16 2.265 -0.239 -19.386 1.00 0.00 C ATOM 738 CG PRO B 16 1.951 -1.201 -20.487 1.00 0.00 C ATOM 739 CD PRO B 16 0.655 -1.879 -20.123 1.00 0.00 C ATOM 0 HA PRO B 16 0.933 0.395 -17.763 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.826 0.618 -19.759 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.876 -0.708 -18.614 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.859 -0.680 -21.440 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.751 -1.933 -20.600 1.00 0.00 H new ATOM 0 HD2 PRO B 16 0.033 -2.049 -21.002 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.829 -2.852 -19.663 1.00 0.00 H new ATOM 747 N ILE B 17 0.712 2.602 -18.911 1.00 0.00 N ATOM 748 CA ILE B 17 0.276 3.893 -19.509 1.00 0.00 C ATOM 749 C ILE B 17 1.429 4.895 -19.449 1.00 0.00 C ATOM 750 O ILE B 17 2.520 4.567 -19.038 1.00 0.00 O ATOM 751 CB ILE B 17 -0.888 4.386 -18.648 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.801 3.220 -18.245 1.00 0.00 C ATOM 753 CG2 ILE B 17 -1.704 5.409 -19.441 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.539 3.587 -16.956 1.00 0.00 C ATOM 0 H ILE B 17 1.232 2.683 -18.037 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.021 3.779 -20.551 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.483 4.842 -17.745 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.515 3.009 -19.041 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.212 2.315 -18.097 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.535 5.763 -18.831 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.067 6.251 -19.711 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.092 4.942 -20.346 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.190 2.764 -16.663 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.815 3.777 -16.164 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.138 4.482 -17.122 1.00 0.00 H new ATOM 766 N TYR B 18 1.201 6.113 -19.849 1.00 0.00 N ATOM 767 CA TYR B 18 2.295 7.125 -19.802 1.00 0.00 C ATOM 768 C TYR B 18 1.740 8.522 -20.095 1.00 0.00 C ATOM 769 O TYR B 18 1.800 9.004 -21.209 1.00 0.00 O ATOM 770 CB TYR B 18 3.281 6.693 -20.888 1.00 0.00 C ATOM 771 CG TYR B 18 4.587 6.281 -20.247 1.00 0.00 C ATOM 772 CD1 TYR B 18 5.528 7.253 -19.891 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.859 4.927 -20.012 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.739 6.874 -19.299 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.069 4.548 -19.420 1.00 0.00 C ATOM 776 CZ TYR B 18 7.010 5.522 -19.063 1.00 0.00 C ATOM 777 OH TYR B 18 8.203 5.148 -18.481 1.00 0.00 O ATOM 0 H TYR B 18 0.308 6.453 -20.206 1.00 0.00 H new ATOM 0 HA TYR B 18 2.769 7.177 -18.822 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.867 5.863 -21.461 1.00 0.00 H new ATOM 0 HB3 TYR B 18 3.449 7.511 -21.588 1.00 0.00 H new ATOM 0 HD1 TYR B 18 5.320 8.297 -20.073 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.134 4.175 -20.288 1.00 0.00 H new ATOM 0 HE1 TYR B 18 7.464 7.626 -19.024 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.277 3.504 -19.238 1.00 0.00 H new ATOM 0 HH TYR B 18 8.230 4.173 -18.388 1.00 0.00 H new ATOM 787 N LYS B 19 1.201 9.175 -19.101 1.00 0.00 N ATOM 788 CA LYS B 19 0.644 10.541 -19.320 1.00 0.00 C ATOM 789 C LYS B 19 0.503 11.271 -17.982 1.00 0.00 C ATOM 790 O LYS B 19 -0.402 11.011 -17.216 1.00 0.00 O ATOM 791 CB LYS B 19 -0.729 10.312 -19.954 1.00 0.00 C ATOM 792 CG LYS B 19 -0.892 11.232 -21.166 1.00 0.00 C ATOM 793 CD LYS B 19 -1.240 10.395 -22.399 1.00 0.00 C ATOM 794 CE LYS B 19 -2.582 9.693 -22.178 1.00 0.00 C ATOM 795 NZ LYS B 19 -3.482 10.246 -23.229 1.00 0.00 N ATOM 0 H LYS B 19 1.122 8.822 -18.147 1.00 0.00 H new ATOM 0 HA LYS B 19 1.286 11.154 -19.952 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.831 9.270 -20.258 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.515 10.510 -19.226 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.677 11.964 -20.977 1.00 0.00 H new ATOM 0 HG3 LYS B 19 0.029 11.789 -21.340 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -1.292 11.033 -23.281 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -0.458 9.658 -22.584 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.482 8.612 -22.272 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.972 9.891 -21.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.423 9.813 -23.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.563 11.276 -23.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.089 10.036 -24.169 1.00 0.00 H new ATOM 809 N LYS B 20 1.395 12.184 -17.697 1.00 0.00 N ATOM 810 CA LYS B 20 1.319 12.934 -16.408 1.00 0.00 C ATOM 811 C LYS B 20 2.609 13.733 -16.186 1.00 0.00 C ATOM 812 O LYS B 20 3.695 13.271 -16.474 1.00 0.00 O ATOM 813 CB LYS B 20 1.153 11.857 -15.327 1.00 0.00 C ATOM 814 CG LYS B 20 1.600 12.402 -13.967 1.00 0.00 C ATOM 815 CD LYS B 20 0.995 13.789 -13.747 1.00 0.00 C ATOM 816 CE LYS B 20 0.131 13.776 -12.483 1.00 0.00 C ATOM 817 NZ LYS B 20 1.012 13.218 -11.420 1.00 0.00 N ATOM 0 H LYS B 20 2.174 12.443 -18.302 1.00 0.00 H new ATOM 0 HA LYS B 20 0.497 13.650 -16.393 1.00 0.00 H new ATOM 0 HB2 LYS B 20 0.111 11.540 -15.276 1.00 0.00 H new ATOM 0 HB3 LYS B 20 1.742 10.977 -15.586 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.285 11.726 -13.172 1.00 0.00 H new ATOM 0 HG3 LYS B 20 2.688 12.458 -13.926 1.00 0.00 H new ATOM 0 HD2 LYS B 20 1.787 14.532 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS B 20 0.392 14.075 -14.609 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -0.209 14.779 -12.227 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -0.760 13.163 -12.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.774 13.656 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.872 12.189 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.006 13.419 -11.652 1.00 0.00 H new ATOM 831 N ALA B 21 2.497 14.927 -15.670 1.00 0.00 N ATOM 832 CA ALA B 21 3.715 15.752 -15.426 1.00 0.00 C ATOM 833 C ALA B 21 3.426 16.824 -14.372 1.00 0.00 C ATOM 834 O ALA B 21 2.379 17.443 -14.386 1.00 0.00 O ATOM 835 CB ALA B 21 4.035 16.398 -16.773 1.00 0.00 C ATOM 0 H ALA B 21 1.615 15.367 -15.407 1.00 0.00 H new ATOM 0 HA ALA B 21 4.548 15.156 -15.053 1.00 0.00 H new ATOM 0 HB1 ALA B 21 4.922 17.023 -16.675 1.00 0.00 H new ATOM 0 HB2 ALA B 21 4.219 15.621 -17.515 1.00 0.00 H new ATOM 0 HB3 ALA B 21 3.192 17.011 -17.092 1.00 0.00 H new ATOM 841 N PRO B 22 4.370 17.006 -13.490 1.00 0.00 N ATOM 842 CA PRO B 22 4.221 18.014 -12.411 1.00 0.00 C ATOM 843 C PRO B 22 4.363 19.429 -12.978 1.00 0.00 C ATOM 844 O PRO B 22 5.439 19.852 -13.353 1.00 0.00 O ATOM 845 CB PRO B 22 5.371 17.691 -11.461 1.00 0.00 C ATOM 846 CG PRO B 22 6.394 17.003 -12.309 1.00 0.00 C ATOM 847 CD PRO B 22 5.652 16.298 -13.415 1.00 0.00 C ATOM 0 HA PRO B 22 3.247 17.980 -11.922 1.00 0.00 H new ATOM 0 HB2 PRO B 22 5.777 18.597 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO B 22 5.040 17.050 -10.644 1.00 0.00 H new ATOM 0 HG2 PRO B 22 7.102 17.723 -12.719 1.00 0.00 H new ATOM 0 HG3 PRO B 22 6.970 16.291 -11.717 1.00 0.00 H new ATOM 0 HD2 PRO B 22 6.195 16.354 -14.359 1.00 0.00 H new ATOM 0 HD3 PRO B 22 5.511 15.241 -13.191 1.00 0.00 H new ATOM 855 N THR B 23 3.285 20.162 -13.046 1.00 0.00 N ATOM 856 CA THR B 23 3.357 21.548 -13.588 1.00 0.00 C ATOM 857 C THR B 23 4.600 22.264 -13.056 1.00 0.00 C ATOM 858 O THR B 23 5.154 21.894 -12.039 1.00 0.00 O ATOM 859 CB THR B 23 2.086 22.235 -13.087 1.00 0.00 C ATOM 860 OG1 THR B 23 1.066 21.264 -12.902 1.00 0.00 O ATOM 861 CG2 THR B 23 1.626 23.273 -14.112 1.00 0.00 C ATOM 0 H THR B 23 2.357 19.860 -12.749 1.00 0.00 H new ATOM 0 HA THR B 23 3.427 21.562 -14.676 1.00 0.00 H new ATOM 0 HB THR B 23 2.291 22.732 -12.139 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.251 21.703 -12.579 1.00 0.00 H new ATOM 0 HG21 THR B 23 0.720 23.762 -13.753 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.409 24.018 -14.252 1.00 0.00 H new ATOM 0 HG23 THR B 23 1.420 22.780 -15.062 1.00 0.00 H new ATOM 869 N ASN B 24 5.045 23.286 -13.735 1.00 0.00 N ATOM 870 CA ASN B 24 6.253 24.024 -13.266 1.00 0.00 C ATOM 871 C ASN B 24 5.840 25.313 -12.550 1.00 0.00 C ATOM 872 O ASN B 24 4.727 25.781 -12.685 1.00 0.00 O ATOM 873 CB ASN B 24 7.038 24.346 -14.538 1.00 0.00 C ATOM 874 CG ASN B 24 8.297 25.135 -14.175 1.00 0.00 C ATOM 875 OD1 ASN B 24 9.143 24.651 -13.449 1.00 0.00 O ATOM 876 ND2 ASN B 24 8.458 26.339 -14.652 1.00 0.00 N ATOM 0 H ASN B 24 4.625 23.642 -14.594 1.00 0.00 H new ATOM 0 HA ASN B 24 6.844 23.443 -12.558 1.00 0.00 H new ATOM 0 HB2 ASN B 24 7.309 23.425 -15.053 1.00 0.00 H new ATOM 0 HB3 ASN B 24 6.419 24.924 -15.224 1.00 0.00 H new ATOM 0 HD21 ASN B 24 9.294 26.874 -14.416 1.00 0.00 H new ATOM 0 HD22 ASN B 24 7.748 26.745 -15.261 1.00 0.00 H new ATOM 883 N GLU B 25 6.729 25.891 -11.788 1.00 0.00 N ATOM 884 CA GLU B 25 6.387 27.149 -11.065 1.00 0.00 C ATOM 885 C GLU B 25 7.492 28.191 -11.263 1.00 0.00 C ATOM 886 O GLU B 25 8.175 28.201 -12.268 1.00 0.00 O ATOM 887 CB GLU B 25 6.287 26.745 -9.594 1.00 0.00 C ATOM 888 CG GLU B 25 5.073 27.423 -8.958 1.00 0.00 C ATOM 889 CD GLU B 25 5.524 28.260 -7.759 1.00 0.00 C ATOM 890 OE1 GLU B 25 5.918 27.672 -6.766 1.00 0.00 O ATOM 891 OE2 GLU B 25 5.468 29.475 -7.856 1.00 0.00 O ATOM 0 H GLU B 25 7.677 25.546 -11.635 1.00 0.00 H new ATOM 0 HA GLU B 25 5.462 27.596 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU B 25 6.198 25.662 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU B 25 7.196 27.032 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU B 25 4.573 28.057 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU B 25 4.350 26.672 -8.639 1.00 0.00 H new ATOM 898 N PHE B 26 7.672 29.065 -10.312 1.00 0.00 N ATOM 899 CA PHE B 26 8.733 30.105 -10.446 1.00 0.00 C ATOM 900 C PHE B 26 9.663 30.072 -9.230 1.00 0.00 C ATOM 901 O PHE B 26 9.399 29.400 -8.253 1.00 0.00 O ATOM 902 CB PHE B 26 7.980 31.433 -10.510 1.00 0.00 C ATOM 903 CG PHE B 26 8.953 32.574 -10.326 1.00 0.00 C ATOM 904 CD1 PHE B 26 9.643 33.089 -11.429 1.00 0.00 C ATOM 905 CD2 PHE B 26 9.164 33.115 -9.052 1.00 0.00 C ATOM 906 CE1 PHE B 26 10.545 34.146 -11.259 1.00 0.00 C ATOM 907 CE2 PHE B 26 10.066 34.173 -8.883 1.00 0.00 C ATOM 908 CZ PHE B 26 10.756 34.688 -9.986 1.00 0.00 C ATOM 0 H PHE B 26 7.131 29.105 -9.448 1.00 0.00 H new ATOM 0 HA PHE B 26 9.357 29.948 -11.326 1.00 0.00 H new ATOM 0 HB2 PHE B 26 7.469 31.528 -11.468 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.214 31.466 -9.736 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.480 32.671 -12.411 1.00 0.00 H new ATOM 0 HD2 PHE B 26 8.632 32.717 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.078 34.543 -12.110 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.229 34.592 -7.901 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.451 35.504 -9.855 1.00 0.00 H new ATOM 918 N TYR B 27 10.749 30.793 -9.283 1.00 0.00 N ATOM 919 CA TYR B 27 11.695 30.802 -8.130 1.00 0.00 C ATOM 920 C TYR B 27 12.565 32.061 -8.169 1.00 0.00 C ATOM 921 O TYR B 27 12.555 32.805 -9.131 1.00 0.00 O ATOM 922 CB TYR B 27 12.554 29.551 -8.312 1.00 0.00 C ATOM 923 CG TYR B 27 13.760 29.632 -7.408 1.00 0.00 C ATOM 924 CD1 TYR B 27 13.688 29.140 -6.099 1.00 0.00 C ATOM 925 CD2 TYR B 27 14.950 30.200 -7.877 1.00 0.00 C ATOM 926 CE1 TYR B 27 14.807 29.214 -5.260 1.00 0.00 C ATOM 927 CE2 TYR B 27 16.069 30.274 -7.039 1.00 0.00 C ATOM 928 CZ TYR B 27 15.997 29.783 -5.730 1.00 0.00 C ATOM 929 OH TYR B 27 17.099 29.856 -4.903 1.00 0.00 O ATOM 0 H TYR B 27 11.023 31.376 -10.074 1.00 0.00 H new ATOM 0 HA TYR B 27 11.177 30.804 -7.171 1.00 0.00 H new ATOM 0 HB2 TYR B 27 11.971 28.660 -8.079 1.00 0.00 H new ATOM 0 HB3 TYR B 27 12.871 29.462 -9.351 1.00 0.00 H new ATOM 0 HD1 TYR B 27 12.769 28.703 -5.736 1.00 0.00 H new ATOM 0 HD2 TYR B 27 15.005 30.581 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR B 27 14.752 28.832 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR B 27 16.988 30.710 -7.402 1.00 0.00 H new ATOM 0 HH TYR B 27 17.842 30.277 -5.384 1.00 0.00 H new ATOM 939 N ALA B 28 13.318 32.307 -7.132 1.00 0.00 N ATOM 940 CA ALA B 28 14.187 33.518 -7.112 1.00 0.00 C ATOM 941 C ALA B 28 15.561 33.173 -6.530 1.00 0.00 C ATOM 942 O ALA B 28 15.600 32.520 -5.501 1.00 0.00 O ATOM 943 CB ALA B 28 13.458 34.514 -6.209 1.00 0.00 C ATOM 944 OXT ALA B 28 16.550 33.567 -7.126 1.00 0.00 O ATOM 0 H ALA B 28 13.369 31.722 -6.298 1.00 0.00 H new ATOM 0 HA ALA B 28 14.357 33.921 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA B 28 14.036 35.436 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.475 34.732 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.343 34.086 -5.213 1.00 0.00 H new TER 950 ALA B 28