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+ 160:sc= -0.131 (180deg=-0.51) 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+ -165:sc= -0.0998 (180deg=-0.465) USER MOD Single : A 23 THR OG1 : rot 6:sc= 0.521 USER MOD Single : A 24 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.06) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 162:sc= -0.12 (180deg=-0.472) 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+ -166:sc= -0.108 (180deg=-0.483) USER MOD Single : B 23 THR OG1 : rot 11:sc= 0.511 USER MOD Single : B 24 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.077) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.486 -27.720 -28.927 1.00 0.00 N ATOM 2 CA ARG A 1 9.368 -27.197 -28.090 1.00 0.00 C ATOM 3 C ARG A 1 8.203 -26.757 -28.979 1.00 0.00 C ATOM 4 O ARG A 1 7.306 -26.060 -28.545 1.00 0.00 O ATOM 5 CB ARG A 1 9.959 -25.997 -27.347 1.00 0.00 C ATOM 6 CG ARG A 1 10.257 -24.875 -28.345 1.00 0.00 C ATOM 7 CD ARG A 1 11.760 -24.588 -28.355 1.00 0.00 C ATOM 8 NE ARG A 1 12.096 -24.243 -26.946 1.00 0.00 N ATOM 9 CZ ARG A 1 12.206 -22.992 -26.589 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.143 -22.238 -26.518 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.379 -22.496 -26.305 1.00 0.00 N ATOM 0 H1 ARG A 1 11.370 -27.697 -28.379 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.279 -28.699 -29.210 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.589 -27.129 -29.777 1.00 0.00 H new ATOM 0 HA ARG A 1 8.977 -27.949 -27.405 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.261 -25.646 -26.587 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.872 -26.290 -26.829 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.924 -25.163 -29.342 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.706 -23.975 -28.072 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.325 -25.456 -28.694 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.001 -23.767 -29.030 1.00 0.00 H new ATOM 0 HE ARG A 1 12.240 -24.984 -26.260 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.227 -22.626 -26.741 1.00 0.00 H new ATOM 0 HH12 ARG A 1 11.229 -21.261 -26.239 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.209 -23.086 -26.362 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.466 -21.519 -26.026 1.00 0.00 H new ATOM 27 N MET A 2 8.206 -27.159 -30.221 1.00 0.00 N ATOM 28 CA MET A 2 7.098 -26.764 -31.136 1.00 0.00 C ATOM 29 C MET A 2 5.958 -27.783 -31.058 1.00 0.00 C ATOM 30 O MET A 2 6.182 -28.973 -30.961 1.00 0.00 O ATOM 31 CB MET A 2 7.719 -26.761 -32.533 1.00 0.00 C ATOM 32 CG MET A 2 8.558 -25.495 -32.716 1.00 0.00 C ATOM 33 SD MET A 2 9.414 -25.563 -34.309 1.00 0.00 S ATOM 34 CE MET A 2 10.997 -26.181 -33.691 1.00 0.00 C ATOM 0 H MET A 2 8.928 -27.744 -30.641 1.00 0.00 H new ATOM 0 HA MET A 2 6.675 -25.794 -30.876 1.00 0.00 H new ATOM 0 HB2 MET A 2 8.342 -27.645 -32.668 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.936 -26.804 -33.290 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.919 -24.613 -32.672 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.282 -25.405 -31.906 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.691 -26.300 -34.523 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.409 -25.472 -32.973 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.846 -27.144 -33.204 1.00 0.00 H new ATOM 44 N LYS A 3 4.737 -27.325 -31.100 1.00 0.00 N ATOM 45 CA LYS A 3 3.584 -28.270 -31.027 1.00 0.00 C ATOM 46 C LYS A 3 3.690 -29.139 -29.771 1.00 0.00 C ATOM 47 O LYS A 3 4.173 -30.252 -29.815 1.00 0.00 O ATOM 48 CB LYS A 3 3.697 -29.129 -32.287 1.00 0.00 C ATOM 49 CG LYS A 3 3.430 -28.266 -33.520 1.00 0.00 C ATOM 50 CD LYS A 3 4.573 -28.439 -34.522 1.00 0.00 C ATOM 51 CE LYS A 3 4.001 -28.560 -35.936 1.00 0.00 C ATOM 52 NZ LYS A 3 4.908 -29.510 -36.638 1.00 0.00 N ATOM 0 H LYS A 3 4.487 -26.340 -31.182 1.00 0.00 H new ATOM 0 HA LYS A 3 2.627 -27.751 -30.972 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.691 -29.573 -32.349 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.983 -29.951 -32.244 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.484 -28.552 -33.979 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.341 -27.219 -33.231 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.252 -27.588 -34.465 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.154 -29.328 -34.276 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.977 -28.933 -35.917 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.979 -27.592 -36.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.580 -29.644 -37.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.874 -29.125 -36.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.904 -30.424 -36.143 1.00 0.00 H new ATOM 66 N LYS A 4 3.243 -28.638 -28.652 1.00 0.00 N ATOM 67 CA LYS A 4 3.318 -29.436 -27.395 1.00 0.00 C ATOM 68 C LYS A 4 1.986 -29.368 -26.645 1.00 0.00 C ATOM 69 O LYS A 4 1.840 -29.912 -25.568 1.00 0.00 O ATOM 70 CB LYS A 4 4.430 -28.781 -26.576 1.00 0.00 C ATOM 71 CG LYS A 4 4.253 -27.261 -26.597 1.00 0.00 C ATOM 72 CD LYS A 4 4.473 -26.701 -25.192 1.00 0.00 C ATOM 73 CE LYS A 4 4.539 -25.173 -25.255 1.00 0.00 C ATOM 74 NZ LYS A 4 3.629 -24.704 -24.173 1.00 0.00 N ATOM 0 H LYS A 4 2.829 -27.711 -28.554 1.00 0.00 H new ATOM 0 HA LYS A 4 3.520 -30.490 -27.586 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.403 -29.147 -25.549 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.404 -29.050 -26.985 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.961 -26.812 -27.294 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.253 -27.006 -26.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.663 -27.014 -24.534 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.397 -27.098 -24.771 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.556 -24.815 -25.098 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.218 -24.804 -26.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.621 -23.664 -24.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.666 -25.055 -24.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.964 -25.065 -23.257 1.00 0.00 H new ATOM 88 N LYS A 5 1.012 -28.703 -27.204 1.00 0.00 N ATOM 89 CA LYS A 5 -0.310 -28.600 -26.521 1.00 0.00 C ATOM 90 C LYS A 5 -0.147 -27.935 -25.152 1.00 0.00 C ATOM 91 O LYS A 5 0.653 -27.037 -24.978 1.00 0.00 O ATOM 92 CB LYS A 5 -0.786 -30.046 -26.361 1.00 0.00 C ATOM 93 CG LYS A 5 -2.281 -30.127 -26.673 1.00 0.00 C ATOM 94 CD LYS A 5 -2.778 -31.552 -26.418 1.00 0.00 C ATOM 95 CE LYS A 5 -3.732 -31.969 -27.540 1.00 0.00 C ATOM 96 NZ LYS A 5 -2.857 -32.577 -28.582 1.00 0.00 N ATOM 0 H LYS A 5 1.074 -28.227 -28.104 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.021 -27.996 -27.085 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.228 -30.700 -27.031 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.596 -30.393 -25.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.832 -29.421 -26.051 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.463 -29.847 -27.711 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.934 -32.240 -26.370 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.287 -31.604 -25.455 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.474 -32.682 -27.182 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.278 -31.111 -27.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.439 -32.888 -29.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.165 -31.873 -28.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.356 -33.395 -28.180 1.00 0.00 H new ATOM 110 N ASP A 6 -0.901 -28.367 -24.178 1.00 0.00 N ATOM 111 CA ASP A 6 -0.789 -27.758 -22.821 1.00 0.00 C ATOM 112 C ASP A 6 -1.250 -26.297 -22.857 1.00 0.00 C ATOM 113 O ASP A 6 -1.069 -25.604 -23.838 1.00 0.00 O ATOM 114 CB ASP A 6 0.696 -27.842 -22.470 1.00 0.00 C ATOM 115 CG ASP A 6 0.871 -27.730 -20.955 1.00 0.00 C ATOM 116 OD1 ASP A 6 0.856 -26.616 -20.457 1.00 0.00 O ATOM 117 OD2 ASP A 6 1.017 -28.759 -20.317 1.00 0.00 O ATOM 0 H ASP A 6 -1.589 -29.115 -24.263 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.411 -28.270 -22.087 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.112 -28.785 -22.826 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.244 -27.043 -22.970 1.00 0.00 H new ATOM 122 N GLU A 7 -1.845 -25.828 -21.796 1.00 0.00 N ATOM 123 CA GLU A 7 -2.317 -24.412 -21.770 1.00 0.00 C ATOM 124 C GLU A 7 -2.947 -24.090 -20.413 1.00 0.00 C ATOM 125 O GLU A 7 -4.015 -24.567 -20.085 1.00 0.00 O ATOM 126 CB GLU A 7 -3.363 -24.324 -22.882 1.00 0.00 C ATOM 127 CG GLU A 7 -4.498 -25.309 -22.596 1.00 0.00 C ATOM 128 CD GLU A 7 -5.064 -25.833 -23.917 1.00 0.00 C ATOM 129 OE1 GLU A 7 -5.903 -25.157 -24.489 1.00 0.00 O ATOM 130 OE2 GLU A 7 -4.651 -26.903 -24.332 1.00 0.00 O ATOM 0 H GLU A 7 -2.026 -26.362 -20.946 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.504 -23.702 -21.918 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.756 -23.309 -22.946 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.905 -24.550 -23.845 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.130 -26.138 -21.991 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.283 -24.818 -22.021 1.00 0.00 H new ATOM 137 N GLY A 8 -2.295 -23.283 -19.622 1.00 0.00 N ATOM 138 CA GLY A 8 -2.857 -22.931 -18.288 1.00 0.00 C ATOM 139 C GLY A 8 -3.792 -21.727 -18.428 1.00 0.00 C ATOM 140 O GLY A 8 -4.991 -21.874 -18.568 1.00 0.00 O ATOM 0 H GLY A 8 -1.397 -22.852 -19.842 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.401 -23.781 -17.875 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.051 -22.700 -17.592 1.00 0.00 H new ATOM 144 N SER A 9 -3.255 -20.539 -18.394 1.00 0.00 N ATOM 145 CA SER A 9 -4.111 -19.330 -18.528 1.00 0.00 C ATOM 146 C SER A 9 -3.240 -18.082 -18.700 1.00 0.00 C ATOM 147 O SER A 9 -2.039 -18.120 -18.514 1.00 0.00 O ATOM 148 CB SER A 9 -4.904 -19.257 -17.224 1.00 0.00 C ATOM 149 OG SER A 9 -6.285 -19.111 -17.524 1.00 0.00 O ATOM 0 H SER A 9 -2.258 -20.354 -18.279 1.00 0.00 H new ATOM 0 HA SER A 9 -4.765 -19.382 -19.398 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.741 -20.159 -16.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.560 -18.416 -16.622 1.00 0.00 H new ATOM 0 HG SER A 9 -6.798 -19.065 -16.690 1.00 0.00 H new ATOM 155 N TYR A 10 -3.835 -16.976 -19.055 1.00 0.00 N ATOM 156 CA TYR A 10 -3.041 -15.728 -19.239 1.00 0.00 C ATOM 157 C TYR A 10 -3.966 -14.558 -19.587 1.00 0.00 C ATOM 158 O TYR A 10 -4.923 -14.709 -20.321 1.00 0.00 O ATOM 159 CB TYR A 10 -2.095 -16.028 -20.403 1.00 0.00 C ATOM 160 CG TYR A 10 -1.486 -14.740 -20.901 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.735 -13.938 -20.033 1.00 0.00 C ATOM 162 CD2 TYR A 10 -1.672 -14.346 -22.232 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.170 -12.744 -20.496 1.00 0.00 C ATOM 164 CE2 TYR A 10 -1.106 -13.152 -22.695 1.00 0.00 C ATOM 165 CZ TYR A 10 -0.356 -12.351 -21.827 1.00 0.00 C ATOM 166 OH TYR A 10 0.201 -11.174 -22.283 1.00 0.00 O ATOM 0 H TYR A 10 -4.836 -16.883 -19.226 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.500 -15.447 -18.336 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.311 -16.713 -20.081 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.638 -16.522 -21.209 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.592 -14.241 -19.006 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.252 -14.963 -22.902 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.410 -12.126 -19.826 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.248 -12.849 -23.722 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.023 -11.051 -23.229 1.00 0.00 H new ATOM 176 N ASP A 11 -3.689 -13.394 -19.066 1.00 0.00 N ATOM 177 CA ASP A 11 -4.549 -12.220 -19.367 1.00 0.00 C ATOM 178 C ASP A 11 -3.893 -10.937 -18.849 1.00 0.00 C ATOM 179 O ASP A 11 -2.703 -10.887 -18.614 1.00 0.00 O ATOM 180 CB ASP A 11 -5.860 -12.490 -18.628 1.00 0.00 C ATOM 181 CG ASP A 11 -6.926 -12.941 -19.628 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.747 -12.690 -20.809 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.903 -13.530 -19.196 1.00 0.00 O ATOM 0 H ASP A 11 -2.902 -13.207 -18.444 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.705 -12.085 -20.437 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.710 -13.258 -17.869 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.190 -11.589 -18.110 1.00 0.00 H new ATOM 188 N LEU A 12 -4.662 -9.897 -18.669 1.00 0.00 N ATOM 189 CA LEU A 12 -4.082 -8.618 -18.167 1.00 0.00 C ATOM 190 C LEU A 12 -2.940 -8.161 -19.078 1.00 0.00 C ATOM 191 O LEU A 12 -2.430 -8.920 -19.879 1.00 0.00 O ATOM 192 CB LEU A 12 -3.556 -8.944 -16.769 1.00 0.00 C ATOM 193 CG LEU A 12 -4.731 -9.263 -15.843 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.686 -10.741 -15.451 1.00 0.00 C ATOM 195 CD2 LEU A 12 -4.634 -8.401 -14.582 1.00 0.00 C ATOM 0 H LEU A 12 -5.666 -9.878 -18.848 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.815 -7.811 -18.149 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.874 -9.793 -16.814 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.989 -8.100 -16.376 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.667 -9.052 -16.359 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.523 -10.968 -14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.753 -11.357 -16.347 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.750 -10.952 -14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.471 -8.627 -13.921 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.697 -8.614 -14.067 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.665 -7.347 -14.858 1.00 0.00 H new ATOM 207 N GLY A 13 -2.533 -6.926 -18.962 1.00 0.00 N ATOM 208 CA GLY A 13 -1.424 -6.422 -19.820 1.00 0.00 C ATOM 209 C GLY A 13 -0.092 -6.580 -19.083 1.00 0.00 C ATOM 210 O GLY A 13 0.677 -7.480 -19.358 1.00 0.00 O ATOM 0 H GLY A 13 -2.921 -6.244 -18.310 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.399 -6.973 -20.760 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.591 -5.374 -20.069 1.00 0.00 H new ATOM 214 N LYS A 14 0.185 -5.714 -18.146 1.00 0.00 N ATOM 215 CA LYS A 14 1.465 -5.818 -17.393 1.00 0.00 C ATOM 216 C LYS A 14 1.460 -4.856 -16.200 1.00 0.00 C ATOM 217 O LYS A 14 0.889 -5.141 -15.167 1.00 0.00 O ATOM 218 CB LYS A 14 2.551 -5.440 -18.403 1.00 0.00 C ATOM 219 CG LYS A 14 3.914 -5.435 -17.709 1.00 0.00 C ATOM 220 CD LYS A 14 4.761 -6.595 -18.237 1.00 0.00 C ATOM 221 CE LYS A 14 6.243 -6.299 -17.995 1.00 0.00 C ATOM 222 NZ LYS A 14 6.852 -7.621 -17.678 1.00 0.00 N ATOM 0 H LYS A 14 -0.420 -4.940 -17.871 1.00 0.00 H new ATOM 0 HA LYS A 14 1.627 -6.815 -16.984 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.555 -6.149 -19.231 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.343 -4.457 -18.826 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.422 -4.488 -17.890 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.785 -5.527 -16.631 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.478 -7.522 -17.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.577 -6.738 -19.302 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.705 -5.852 -18.875 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.376 -5.596 -17.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.869 -7.501 -17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.397 -8.019 -16.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.716 -8.268 -18.481 1.00 0.00 H new ATOM 236 N LYS A 15 2.091 -3.721 -16.330 1.00 0.00 N ATOM 237 CA LYS A 15 2.118 -2.750 -15.198 1.00 0.00 C ATOM 238 C LYS A 15 1.591 -1.387 -15.657 1.00 0.00 C ATOM 239 O LYS A 15 2.095 -0.815 -16.603 1.00 0.00 O ATOM 240 CB LYS A 15 3.591 -2.648 -14.801 1.00 0.00 C ATOM 241 CG LYS A 15 4.066 -3.993 -14.247 1.00 0.00 C ATOM 242 CD LYS A 15 5.594 -4.054 -14.294 1.00 0.00 C ATOM 243 CE LYS A 15 6.052 -5.506 -14.141 1.00 0.00 C ATOM 244 NZ LYS A 15 6.906 -5.513 -12.921 1.00 0.00 N ATOM 0 H LYS A 15 2.588 -3.424 -17.169 1.00 0.00 H new ATOM 0 HA LYS A 15 1.491 -3.069 -14.365 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.193 -2.366 -15.665 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.723 -1.867 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.718 -4.119 -13.222 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.641 -4.809 -14.831 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.956 -3.645 -15.237 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.018 -3.442 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.201 -6.179 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.611 -5.838 -15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.259 -6.476 -12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.711 -4.869 -13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.346 -5.199 -12.103 1.00 0.00 H new ATOM 258 N PRO A 16 0.588 -0.912 -14.968 1.00 0.00 N ATOM 259 CA PRO A 16 -0.017 0.400 -15.310 1.00 0.00 C ATOM 260 C PRO A 16 0.916 1.543 -14.900 1.00 0.00 C ATOM 261 O PRO A 16 1.049 1.861 -13.736 1.00 0.00 O ATOM 262 CB PRO A 16 -1.303 0.426 -14.487 1.00 0.00 C ATOM 263 CG PRO A 16 -1.048 -0.498 -13.340 1.00 0.00 C ATOM 264 CD PRO A 16 -0.071 -1.541 -13.819 1.00 0.00 C ATOM 0 HA PRO A 16 -0.197 0.524 -16.378 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.528 1.434 -14.139 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.157 0.095 -15.078 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.642 0.048 -12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.976 -0.963 -13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.647 -1.802 -13.041 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.579 -2.462 -14.106 1.00 0.00 H new ATOM 272 N ILE A 17 1.561 2.164 -15.850 1.00 0.00 N ATOM 273 CA ILE A 17 2.483 3.287 -15.514 1.00 0.00 C ATOM 274 C ILE A 17 1.728 4.618 -15.542 1.00 0.00 C ATOM 275 O ILE A 17 0.536 4.661 -15.772 1.00 0.00 O ATOM 276 CB ILE A 17 3.559 3.261 -16.596 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.984 1.816 -16.870 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.773 4.068 -16.129 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.375 1.347 -18.192 1.00 0.00 C ATOM 0 H ILE A 17 1.490 1.943 -16.843 1.00 0.00 H new ATOM 0 HA ILE A 17 2.909 3.183 -14.516 1.00 0.00 H new ATOM 0 HB ILE A 17 3.159 3.699 -17.510 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.071 1.747 -16.914 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.656 1.169 -16.056 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.541 4.049 -16.902 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.474 5.099 -15.940 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.170 3.631 -15.212 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.678 0.318 -18.387 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.288 1.400 -18.131 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.725 1.988 -19.001 1.00 0.00 H new ATOM 291 N TYR A 18 2.411 5.705 -15.310 1.00 0.00 N ATOM 292 CA TYR A 18 1.730 7.032 -15.324 1.00 0.00 C ATOM 293 C TYR A 18 2.764 8.155 -15.443 1.00 0.00 C ATOM 294 O TYR A 18 2.984 8.910 -14.517 1.00 0.00 O ATOM 295 CB TYR A 18 0.999 7.116 -13.985 1.00 0.00 C ATOM 296 CG TYR A 18 -0.460 7.422 -14.226 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.359 6.383 -14.491 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.913 8.746 -14.184 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.711 6.666 -14.715 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.266 9.030 -14.408 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.165 7.990 -14.674 1.00 0.00 C ATOM 302 OH TYR A 18 -4.498 8.270 -14.894 1.00 0.00 O ATOM 0 H TYR A 18 3.411 5.733 -15.111 1.00 0.00 H new ATOM 0 HA TYR A 18 1.048 7.138 -16.168 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.100 6.175 -13.444 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.446 7.891 -13.362 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.009 5.362 -14.523 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.219 9.548 -13.979 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.404 5.863 -14.919 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.616 10.051 -14.376 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.644 9.237 -14.829 1.00 0.00 H new ATOM 312 N LYS A 19 3.400 8.271 -16.578 1.00 0.00 N ATOM 313 CA LYS A 19 4.419 9.345 -16.754 1.00 0.00 C ATOM 314 C LYS A 19 4.216 10.049 -18.098 1.00 0.00 C ATOM 315 O LYS A 19 3.841 9.440 -19.080 1.00 0.00 O ATOM 316 CB LYS A 19 5.766 8.622 -16.726 1.00 0.00 C ATOM 317 CG LYS A 19 6.803 9.500 -16.023 1.00 0.00 C ATOM 318 CD LYS A 19 7.559 8.667 -14.987 1.00 0.00 C ATOM 319 CE LYS A 19 8.794 9.437 -14.514 1.00 0.00 C ATOM 320 NZ LYS A 19 9.789 8.388 -14.156 1.00 0.00 N ATOM 0 H LYS A 19 3.258 7.669 -17.389 1.00 0.00 H new ATOM 0 HA LYS A 19 4.351 10.110 -15.980 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.668 7.669 -16.206 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.092 8.399 -17.742 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.500 9.913 -16.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.312 10.344 -15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.910 8.445 -14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.857 7.712 -15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.175 10.091 -15.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.561 10.069 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.664 8.839 -13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.401 7.785 -13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.997 7.807 -14.993 1.00 0.00 H new ATOM 334 N LYS A 20 4.463 11.331 -18.151 1.00 0.00 N ATOM 335 CA LYS A 20 4.286 12.075 -19.430 1.00 0.00 C ATOM 336 C LYS A 20 4.414 13.581 -19.189 1.00 0.00 C ATOM 337 O LYS A 20 3.439 14.307 -19.202 1.00 0.00 O ATOM 338 CB LYS A 20 2.873 11.726 -19.904 1.00 0.00 C ATOM 339 CG LYS A 20 2.948 11.032 -21.266 1.00 0.00 C ATOM 340 CD LYS A 20 1.625 11.224 -22.010 1.00 0.00 C ATOM 341 CE LYS A 20 1.816 12.236 -23.140 1.00 0.00 C ATOM 342 NZ LYS A 20 2.132 13.521 -22.455 1.00 0.00 N ATOM 0 H LYS A 20 4.780 11.895 -17.362 1.00 0.00 H new ATOM 0 HA LYS A 20 5.041 11.806 -20.169 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.385 11.075 -19.179 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.269 12.630 -19.978 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.770 11.444 -21.851 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.152 9.970 -21.134 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.282 10.272 -22.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.856 11.573 -21.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.624 11.935 -23.807 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.916 12.324 -23.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.027 14.308 -23.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.480 13.658 -21.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.110 13.495 -22.102 1.00 0.00 H new ATOM 356 N ALA A 21 5.610 14.056 -18.970 1.00 0.00 N ATOM 357 CA ALA A 21 5.800 15.515 -18.727 1.00 0.00 C ATOM 358 C ALA A 21 6.474 16.168 -19.937 1.00 0.00 C ATOM 359 O ALA A 21 7.282 15.554 -20.605 1.00 0.00 O ATOM 360 CB ALA A 21 6.705 15.598 -17.499 1.00 0.00 C ATOM 0 H ALA A 21 6.463 13.498 -18.949 1.00 0.00 H new ATOM 0 HA ALA A 21 4.855 16.035 -18.571 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.892 16.644 -17.255 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.218 15.110 -16.655 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.651 15.099 -17.710 1.00 0.00 H new ATOM 366 N PRO A 22 6.114 17.400 -20.177 1.00 0.00 N ATOM 367 CA PRO A 22 6.688 18.154 -21.317 1.00 0.00 C ATOM 368 C PRO A 22 8.138 18.548 -21.023 1.00 0.00 C ATOM 369 O PRO A 22 8.701 18.170 -20.014 1.00 0.00 O ATOM 370 CB PRO A 22 5.798 19.391 -21.413 1.00 0.00 C ATOM 371 CG PRO A 22 5.231 19.567 -20.039 1.00 0.00 C ATOM 372 CD PRO A 22 5.148 18.198 -19.414 1.00 0.00 C ATOM 0 HA PRO A 22 6.712 17.578 -22.242 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.371 20.267 -21.719 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.008 19.253 -22.151 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.864 20.225 -19.443 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.245 20.029 -20.086 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.403 18.227 -18.355 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.142 17.785 -19.489 1.00 0.00 H new ATOM 380 N THR A 23 8.745 19.307 -21.894 1.00 0.00 N ATOM 381 CA THR A 23 10.155 19.728 -21.667 1.00 0.00 C ATOM 382 C THR A 23 10.558 20.792 -22.692 1.00 0.00 C ATOM 383 O THR A 23 10.427 20.601 -23.884 1.00 0.00 O ATOM 384 CB THR A 23 10.987 18.456 -21.852 1.00 0.00 C ATOM 385 OG1 THR A 23 10.862 17.637 -20.698 1.00 0.00 O ATOM 386 CG2 THR A 23 12.457 18.829 -22.056 1.00 0.00 C ATOM 0 H THR A 23 8.323 19.654 -22.755 1.00 0.00 H new ATOM 0 HA THR A 23 10.302 20.166 -20.680 1.00 0.00 H new ATOM 0 HB THR A 23 10.627 17.912 -22.726 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.199 18.026 -20.091 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.048 17.922 -22.187 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.554 19.457 -22.942 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.818 19.374 -21.184 1.00 0.00 H new ATOM 394 N ASN A 24 11.049 21.912 -22.236 1.00 0.00 N ATOM 395 CA ASN A 24 11.459 22.987 -23.185 1.00 0.00 C ATOM 396 C ASN A 24 12.533 23.873 -22.548 1.00 0.00 C ATOM 397 O ASN A 24 12.236 24.870 -21.921 1.00 0.00 O ATOM 398 CB ASN A 24 10.186 23.792 -23.448 1.00 0.00 C ATOM 399 CG ASN A 24 10.525 25.025 -24.287 1.00 0.00 C ATOM 400 OD1 ASN A 24 10.729 24.924 -25.481 1.00 0.00 O ATOM 401 ND2 ASN A 24 10.594 26.193 -23.711 1.00 0.00 N ATOM 0 H ASN A 24 11.184 22.129 -21.249 1.00 0.00 H new ATOM 0 HA ASN A 24 11.883 22.585 -24.105 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.454 23.175 -23.969 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.733 24.095 -22.504 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.819 27.021 -24.262 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.423 26.278 -22.709 1.00 0.00 H new ATOM 408 N GLU A 25 13.779 23.516 -22.704 1.00 0.00 N ATOM 409 CA GLU A 25 14.870 24.339 -22.108 1.00 0.00 C ATOM 410 C GLU A 25 15.113 25.592 -22.956 1.00 0.00 C ATOM 411 O GLU A 25 14.437 26.590 -22.810 1.00 0.00 O ATOM 412 CB GLU A 25 16.099 23.429 -22.111 1.00 0.00 C ATOM 413 CG GLU A 25 17.315 24.209 -21.609 1.00 0.00 C ATOM 414 CD GLU A 25 18.587 23.621 -22.221 1.00 0.00 C ATOM 415 OE1 GLU A 25 19.143 22.712 -21.626 1.00 0.00 O ATOM 416 OE2 GLU A 25 18.986 24.090 -23.274 1.00 0.00 O ATOM 0 H GLU A 25 14.088 22.691 -23.218 1.00 0.00 H new ATOM 0 HA GLU A 25 14.628 24.685 -21.103 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.923 22.561 -21.475 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.285 23.055 -23.118 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.222 25.261 -21.878 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.367 24.162 -20.521 1.00 0.00 H new ATOM 423 N PHE A 26 16.071 25.547 -23.838 1.00 0.00 N ATOM 424 CA PHE A 26 16.354 26.736 -24.692 1.00 0.00 C ATOM 425 C PHE A 26 15.046 27.331 -25.221 1.00 0.00 C ATOM 426 O PHE A 26 14.155 26.620 -25.641 1.00 0.00 O ATOM 427 CB PHE A 26 17.205 26.202 -25.844 1.00 0.00 C ATOM 428 CG PHE A 26 17.271 27.236 -26.944 1.00 0.00 C ATOM 429 CD1 PHE A 26 16.182 27.410 -27.806 1.00 0.00 C ATOM 430 CD2 PHE A 26 18.420 28.019 -27.099 1.00 0.00 C ATOM 431 CE1 PHE A 26 16.244 28.368 -28.825 1.00 0.00 C ATOM 432 CE2 PHE A 26 18.481 28.977 -28.118 1.00 0.00 C ATOM 433 CZ PHE A 26 17.393 29.152 -28.982 1.00 0.00 C ATOM 0 H PHE A 26 16.671 24.739 -24.005 1.00 0.00 H new ATOM 0 HA PHE A 26 16.863 27.528 -24.142 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.209 25.968 -25.490 1.00 0.00 H new ATOM 0 HB3 PHE A 26 16.777 25.275 -26.227 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.295 26.806 -27.685 1.00 0.00 H new ATOM 0 HD2 PHE A 26 19.259 27.884 -26.433 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.404 28.502 -29.491 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.368 29.582 -28.238 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.440 29.891 -29.768 1.00 0.00 H new ATOM 443 N TYR A 27 14.925 28.630 -25.205 1.00 0.00 N ATOM 444 CA TYR A 27 13.673 29.268 -25.707 1.00 0.00 C ATOM 445 C TYR A 27 13.980 30.156 -26.916 1.00 0.00 C ATOM 446 O TYR A 27 13.265 30.152 -27.898 1.00 0.00 O ATOM 447 CB TYR A 27 13.162 30.112 -24.538 1.00 0.00 C ATOM 448 CG TYR A 27 14.195 31.153 -24.179 1.00 0.00 C ATOM 449 CD1 TYR A 27 15.205 30.848 -23.258 1.00 0.00 C ATOM 450 CD2 TYR A 27 14.143 32.423 -24.767 1.00 0.00 C ATOM 451 CE1 TYR A 27 16.162 31.814 -22.925 1.00 0.00 C ATOM 452 CE2 TYR A 27 15.101 33.388 -24.434 1.00 0.00 C ATOM 453 CZ TYR A 27 16.111 33.083 -23.513 1.00 0.00 C ATOM 454 OH TYR A 27 17.055 34.035 -23.185 1.00 0.00 O ATOM 0 H TYR A 27 15.637 29.277 -24.867 1.00 0.00 H new ATOM 0 HA TYR A 27 12.937 28.533 -26.032 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.222 30.594 -24.807 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.958 29.475 -23.677 1.00 0.00 H new ATOM 0 HD1 TYR A 27 15.246 29.868 -22.805 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.364 32.658 -25.477 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.940 31.580 -22.214 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.061 34.367 -24.887 1.00 0.00 H new ATOM 0 HH TYR A 27 16.875 34.859 -23.683 1.00 0.00 H new ATOM 464 N ALA A 28 15.039 30.915 -26.853 1.00 0.00 N ATOM 465 CA ALA A 28 15.391 31.801 -28.000 1.00 0.00 C ATOM 466 C ALA A 28 16.912 31.899 -28.146 1.00 0.00 C ATOM 467 O ALA A 28 17.364 32.190 -29.241 1.00 0.00 O ATOM 468 CB ALA A 28 14.799 33.164 -27.642 1.00 0.00 C ATOM 469 OXT ALA A 28 17.598 31.679 -27.161 1.00 0.00 O ATOM 0 H ALA A 28 15.676 30.961 -26.058 1.00 0.00 H new ATOM 0 HA ALA A 28 15.005 31.424 -28.947 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.015 33.875 -28.439 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.720 33.072 -27.521 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.239 33.518 -26.710 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -20.568 -19.088 -2.323 1.00 0.00 N ATOM 477 CA ARG B 1 -19.356 -19.192 -3.187 1.00 0.00 C ATOM 478 C ARG B 1 -18.090 -19.185 -2.326 1.00 0.00 C ATOM 479 O ARG B 1 -16.996 -18.990 -2.817 1.00 0.00 O ATOM 480 CB ARG B 1 -19.403 -17.956 -4.085 1.00 0.00 C ATOM 481 CG ARG B 1 -19.171 -16.702 -3.239 1.00 0.00 C ATOM 482 CD ARG B 1 -20.409 -15.805 -3.304 1.00 0.00 C ATOM 483 NE ARG B 1 -20.605 -15.524 -4.753 1.00 0.00 N ATOM 484 CZ ARG B 1 -20.184 -14.398 -5.261 1.00 0.00 C ATOM 485 NH1 ARG B 1 -18.904 -14.179 -5.396 1.00 0.00 N ATOM 486 NH2 ARG B 1 -21.044 -13.490 -5.637 1.00 0.00 N ATOM 0 H1 ARG B 1 -21.381 -18.790 -2.899 1.00 0.00 H new ATOM 0 H2 ARG B 1 -20.769 -20.014 -1.894 1.00 0.00 H new ATOM 0 H3 ARG B 1 -20.400 -18.387 -1.573 1.00 0.00 H new ATOM 0 HA ARG B 1 -19.339 -20.115 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -18.643 -18.029 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -20.368 -17.895 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -18.965 -16.981 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -18.298 -16.161 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -21.280 -16.303 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -20.259 -14.884 -2.740 1.00 0.00 H new ATOM 0 HE ARG B 1 -21.068 -16.211 -5.348 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -18.232 -14.888 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -18.576 -13.299 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -22.044 -13.661 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -20.715 -12.610 -6.034 1.00 0.00 H new ATOM 502 N MET B 2 -18.231 -19.394 -1.046 1.00 0.00 N ATOM 503 CA MET B 2 -17.035 -19.397 -0.155 1.00 0.00 C ATOM 504 C MET B 2 -16.437 -20.805 -0.078 1.00 0.00 C ATOM 505 O MET B 2 -17.147 -21.790 -0.037 1.00 0.00 O ATOM 506 CB MET B 2 -17.559 -18.962 1.214 1.00 0.00 C ATOM 507 CG MET B 2 -17.776 -17.448 1.220 1.00 0.00 C ATOM 508 SD MET B 2 -18.537 -16.953 2.786 1.00 0.00 S ATOM 509 CE MET B 2 -20.249 -16.912 2.203 1.00 0.00 C ATOM 0 H MET B 2 -19.122 -19.563 -0.578 1.00 0.00 H new ATOM 0 HA MET B 2 -16.248 -18.737 -0.518 1.00 0.00 H new ATOM 0 HB2 MET B 2 -18.495 -19.475 1.437 1.00 0.00 H new ATOM 0 HB3 MET B 2 -16.849 -19.241 1.992 1.00 0.00 H new ATOM 0 HG2 MET B 2 -16.825 -16.933 1.087 1.00 0.00 H new ATOM 0 HG3 MET B 2 -18.415 -17.158 0.386 1.00 0.00 H new ATOM 0 HE1 MET B 2 -20.906 -16.623 3.024 1.00 0.00 H new ATOM 0 HE2 MET B 2 -20.340 -16.188 1.393 1.00 0.00 H new ATOM 0 HE3 MET B 2 -20.534 -17.900 1.840 1.00 0.00 H new ATOM 519 N LYS B 3 -15.136 -20.906 -0.060 1.00 0.00 N ATOM 520 CA LYS B 3 -14.494 -22.251 0.014 1.00 0.00 C ATOM 521 C LYS B 3 -14.993 -23.138 -1.129 1.00 0.00 C ATOM 522 O LYS B 3 -15.900 -23.928 -0.964 1.00 0.00 O ATOM 523 CB LYS B 3 -14.928 -22.823 1.365 1.00 0.00 C ATOM 524 CG LYS B 3 -14.286 -22.011 2.492 1.00 0.00 C ATOM 525 CD LYS B 3 -15.368 -21.560 3.476 1.00 0.00 C ATOM 526 CE LYS B 3 -14.862 -21.741 4.909 1.00 0.00 C ATOM 527 NZ LYS B 3 -16.067 -22.124 5.696 1.00 0.00 N ATOM 0 H LYS B 3 -14.490 -20.117 -0.093 1.00 0.00 H new ATOM 0 HA LYS B 3 -13.409 -22.197 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -16.014 -22.792 1.453 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -14.631 -23.869 1.441 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -13.538 -22.613 3.008 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -13.769 -21.144 2.081 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -15.623 -20.515 3.298 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -16.278 -22.141 3.324 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -14.094 -22.513 4.962 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -14.417 -20.822 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -15.801 -22.266 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -16.778 -21.368 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -16.465 -23.006 5.315 1.00 0.00 H new ATOM 541 N LYS B 4 -14.406 -23.014 -2.288 1.00 0.00 N ATOM 542 CA LYS B 4 -14.847 -23.851 -3.441 1.00 0.00 C ATOM 543 C LYS B 4 -13.631 -24.445 -4.159 1.00 0.00 C ATOM 544 O LYS B 4 -13.760 -25.126 -5.157 1.00 0.00 O ATOM 545 CB LYS B 4 -15.598 -22.890 -4.364 1.00 0.00 C ATOM 546 CG LYS B 4 -14.792 -21.599 -4.521 1.00 0.00 C ATOM 547 CD LYS B 4 -14.791 -21.174 -5.991 1.00 0.00 C ATOM 548 CE LYS B 4 -14.203 -19.766 -6.115 1.00 0.00 C ATOM 549 NZ LYS B 4 -13.210 -19.861 -7.220 1.00 0.00 N ATOM 0 H LYS B 4 -13.641 -22.370 -2.487 1.00 0.00 H new ATOM 0 HA LYS B 4 -15.472 -24.688 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -15.756 -23.353 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -16.583 -22.669 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -15.223 -20.811 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -13.770 -21.751 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -14.206 -21.877 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -15.807 -21.192 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -14.977 -19.033 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.730 -19.452 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -12.763 -18.933 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -12.482 -20.561 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.691 -20.155 -8.094 1.00 0.00 H new ATOM 563 N LYS B 5 -12.453 -24.193 -3.658 1.00 0.00 N ATOM 564 CA LYS B 5 -11.232 -24.745 -4.313 1.00 0.00 C ATOM 565 C LYS B 5 -11.133 -24.243 -5.755 1.00 0.00 C ATOM 566 O LYS B 5 -11.482 -23.119 -6.058 1.00 0.00 O ATOM 567 CB LYS B 5 -11.417 -26.262 -4.282 1.00 0.00 C ATOM 568 CG LYS B 5 -10.089 -26.932 -3.923 1.00 0.00 C ATOM 569 CD LYS B 5 -10.249 -28.452 -3.990 1.00 0.00 C ATOM 570 CE LYS B 5 -9.533 -29.094 -2.800 1.00 0.00 C ATOM 571 NZ LYS B 5 -10.553 -29.142 -1.716 1.00 0.00 N ATOM 0 H LYS B 5 -12.283 -23.630 -2.825 1.00 0.00 H new ATOM 0 HA LYS B 5 -10.317 -24.437 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -12.181 -26.531 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -11.764 -26.616 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -9.308 -26.607 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -9.777 -26.632 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -11.306 -28.718 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -9.835 -28.831 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -9.173 -30.093 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.665 -28.508 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -10.136 -29.571 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -10.872 -28.177 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -11.365 -29.712 -2.028 1.00 0.00 H new ATOM 585 N ASP B 6 -10.660 -25.069 -6.650 1.00 0.00 N ATOM 586 CA ASP B 6 -10.540 -24.638 -8.072 1.00 0.00 C ATOM 587 C ASP B 6 -9.503 -23.520 -8.200 1.00 0.00 C ATOM 588 O ASP B 6 -9.347 -22.700 -7.317 1.00 0.00 O ATOM 589 CB ASP B 6 -11.931 -24.127 -8.450 1.00 0.00 C ATOM 590 CG ASP B 6 -12.082 -24.136 -9.972 1.00 0.00 C ATOM 591 OD1 ASP B 6 -11.609 -23.203 -10.600 1.00 0.00 O ATOM 592 OD2 ASP B 6 -12.667 -25.077 -10.484 1.00 0.00 O ATOM 0 H ASP B 6 -10.352 -26.022 -6.458 1.00 0.00 H new ATOM 0 HA ASP B 6 -10.213 -25.449 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -12.697 -24.755 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -12.076 -23.117 -8.066 1.00 0.00 H new ATOM 597 N GLU B 7 -8.794 -23.478 -9.294 1.00 0.00 N ATOM 598 CA GLU B 7 -7.768 -22.411 -9.479 1.00 0.00 C ATOM 599 C GLU B 7 -7.097 -22.553 -10.847 1.00 0.00 C ATOM 600 O GLU B 7 -6.341 -23.474 -11.086 1.00 0.00 O ATOM 601 CB GLU B 7 -6.754 -22.640 -8.358 1.00 0.00 C ATOM 602 CG GLU B 7 -6.151 -24.040 -8.492 1.00 0.00 C ATOM 603 CD GLU B 7 -5.824 -24.590 -7.104 1.00 0.00 C ATOM 604 OE1 GLU B 7 -4.764 -24.269 -6.594 1.00 0.00 O ATOM 605 OE2 GLU B 7 -6.641 -25.326 -6.571 1.00 0.00 O ATOM 0 H GLU B 7 -8.880 -24.136 -10.069 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.200 -21.411 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.967 -21.888 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.239 -22.533 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -6.852 -24.702 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.248 -24.002 -9.102 1.00 0.00 H new ATOM 612 N GLY B 8 -7.367 -21.647 -11.748 1.00 0.00 N ATOM 613 CA GLY B 8 -6.745 -21.731 -13.099 1.00 0.00 C ATOM 614 C GLY B 8 -5.386 -21.031 -13.081 1.00 0.00 C ATOM 615 O GLY B 8 -4.359 -21.653 -12.891 1.00 0.00 O ATOM 0 H GLY B 8 -7.991 -20.853 -11.606 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.624 -22.774 -13.391 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.395 -21.266 -13.840 1.00 0.00 H new ATOM 619 N SER B 9 -5.369 -19.740 -13.273 1.00 0.00 N ATOM 620 CA SER B 9 -4.079 -19.001 -13.263 1.00 0.00 C ATOM 621 C SER B 9 -4.334 -17.491 -13.267 1.00 0.00 C ATOM 622 O SER B 9 -5.441 -17.039 -13.480 1.00 0.00 O ATOM 623 CB SER B 9 -3.364 -19.430 -14.544 1.00 0.00 C ATOM 624 OG SER B 9 -2.043 -19.848 -14.227 1.00 0.00 O ATOM 0 H SER B 9 -6.196 -19.166 -13.437 1.00 0.00 H new ATOM 0 HA SER B 9 -3.486 -19.219 -12.375 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.910 -20.242 -15.024 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.336 -18.603 -15.253 1.00 0.00 H new ATOM 0 HG SER B 9 -1.582 -20.125 -15.046 1.00 0.00 H new ATOM 630 N TYR B 10 -3.316 -16.708 -13.033 1.00 0.00 N ATOM 631 CA TYR B 10 -3.501 -15.228 -13.023 1.00 0.00 C ATOM 632 C TYR B 10 -2.158 -14.529 -12.795 1.00 0.00 C ATOM 633 O TYR B 10 -1.337 -14.980 -12.022 1.00 0.00 O ATOM 634 CB TYR B 10 -4.454 -14.956 -11.858 1.00 0.00 C ATOM 635 CG TYR B 10 -4.445 -13.481 -11.536 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.809 -12.548 -12.514 1.00 0.00 C ATOM 637 CD2 TYR B 10 -4.074 -13.045 -10.257 1.00 0.00 C ATOM 638 CE1 TYR B 10 -4.802 -11.181 -12.215 1.00 0.00 C ATOM 639 CE2 TYR B 10 -4.067 -11.678 -9.958 1.00 0.00 C ATOM 640 CZ TYR B 10 -4.431 -10.745 -10.937 1.00 0.00 C ATOM 641 OH TYR B 10 -4.424 -9.398 -10.642 1.00 0.00 O ATOM 0 H TYR B 10 -2.365 -17.028 -12.849 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.896 -14.854 -13.968 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -5.463 -15.277 -12.117 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -4.151 -15.532 -10.984 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.095 -12.883 -13.500 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -3.793 -13.764 -9.502 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.083 -10.462 -12.970 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.781 -11.342 -8.972 1.00 0.00 H new ATOM 0 HH TYR B 10 -4.143 -9.268 -9.712 1.00 0.00 H new ATOM 651 N ASP B 11 -1.930 -13.429 -13.461 1.00 0.00 N ATOM 652 CA ASP B 11 -0.646 -12.703 -13.281 1.00 0.00 C ATOM 653 C ASP B 11 -0.709 -11.335 -13.968 1.00 0.00 C ATOM 654 O ASP B 11 -1.773 -10.815 -14.239 1.00 0.00 O ATOM 655 CB ASP B 11 0.406 -13.590 -13.945 1.00 0.00 C ATOM 656 CG ASP B 11 1.208 -14.326 -12.870 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.184 -13.882 -11.734 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.831 -15.321 -13.201 1.00 0.00 O ATOM 0 H ASP B 11 -2.580 -13.004 -14.122 1.00 0.00 H new ATOM 0 HA ASP B 11 -0.419 -12.519 -12.231 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.075 -14.308 -14.609 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.072 -12.984 -14.559 1.00 0.00 H new ATOM 663 N LEU B 12 0.422 -10.750 -14.251 1.00 0.00 N ATOM 664 CA LEU B 12 0.425 -9.417 -14.920 1.00 0.00 C ATOM 665 C LEU B 12 -0.391 -8.412 -14.102 1.00 0.00 C ATOM 666 O LEU B 12 -1.152 -8.780 -13.230 1.00 0.00 O ATOM 667 CB LEU B 12 -0.227 -9.656 -16.282 1.00 0.00 C ATOM 668 CG LEU B 12 0.676 -10.553 -17.131 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.001 -11.909 -17.340 1.00 0.00 C ATOM 670 CD2 LEU B 12 0.920 -9.890 -18.488 1.00 0.00 C ATOM 0 H LEU B 12 1.344 -11.136 -14.048 1.00 0.00 H new ATOM 0 HA LEU B 12 1.430 -9.005 -15.016 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.203 -10.123 -16.153 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.393 -8.706 -16.789 1.00 0.00 H new ATOM 0 HG LEU B 12 1.628 -10.698 -16.620 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.643 -12.548 -17.945 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.176 -12.381 -16.373 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.953 -11.765 -17.851 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.563 -10.528 -19.094 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.032 -9.745 -18.999 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.403 -8.924 -18.339 1.00 0.00 H new ATOM 682 N GLY B 13 -0.239 -7.146 -14.379 1.00 0.00 N ATOM 683 CA GLY B 13 -1.007 -6.120 -13.617 1.00 0.00 C ATOM 684 C GLY B 13 -2.298 -5.787 -14.365 1.00 0.00 C ATOM 685 O GLY B 13 -3.369 -6.235 -14.005 1.00 0.00 O ATOM 0 H GLY B 13 0.383 -6.778 -15.099 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.238 -6.491 -12.619 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.405 -5.220 -13.491 1.00 0.00 H new ATOM 689 N LYS B 14 -2.207 -5.005 -15.407 1.00 0.00 N ATOM 690 CA LYS B 14 -3.431 -4.647 -16.177 1.00 0.00 C ATOM 691 C LYS B 14 -3.052 -3.930 -17.477 1.00 0.00 C ATOM 692 O LYS B 14 -2.683 -4.552 -18.453 1.00 0.00 O ATOM 693 CB LYS B 14 -4.228 -3.725 -15.250 1.00 0.00 C ATOM 694 CG LYS B 14 -5.479 -3.228 -15.976 1.00 0.00 C ATOM 695 CD LYS B 14 -6.722 -3.846 -15.335 1.00 0.00 C ATOM 696 CE LYS B 14 -7.944 -2.981 -15.651 1.00 0.00 C ATOM 697 NZ LYS B 14 -9.064 -3.948 -15.821 1.00 0.00 N ATOM 0 H LYS B 14 -1.339 -4.600 -15.757 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.010 -5.524 -16.466 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.510 -4.259 -14.343 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -3.612 -2.879 -14.944 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.534 -2.141 -15.925 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.430 -3.496 -17.031 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.873 -4.858 -15.711 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -6.587 -3.923 -14.256 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -8.149 -2.277 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.789 -2.393 -16.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -9.939 -3.431 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -8.844 -4.601 -16.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -9.193 -4.488 -14.942 1.00 0.00 H new ATOM 711 N LYS B 15 -3.138 -2.628 -17.503 1.00 0.00 N ATOM 712 CA LYS B 15 -2.783 -1.883 -18.744 1.00 0.00 C ATOM 713 C LYS B 15 -1.714 -0.827 -18.439 1.00 0.00 C ATOM 714 O LYS B 15 -1.903 0.015 -17.584 1.00 0.00 O ATOM 715 CB LYS B 15 -4.083 -1.215 -19.191 1.00 0.00 C ATOM 716 CG LYS B 15 -5.098 -2.288 -19.589 1.00 0.00 C ATOM 717 CD LYS B 15 -6.506 -1.690 -19.577 1.00 0.00 C ATOM 718 CE LYS B 15 -7.541 -2.817 -19.565 1.00 0.00 C ATOM 719 NZ LYS B 15 -8.350 -2.609 -20.799 1.00 0.00 N ATOM 0 H LYS B 15 -3.438 -2.048 -16.719 1.00 0.00 H new ATOM 0 HA LYS B 15 -2.374 -2.536 -19.515 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.484 -0.601 -18.385 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.892 -0.550 -20.033 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.864 -2.674 -20.581 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.043 -3.129 -18.898 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.635 -1.055 -18.701 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -6.651 -1.058 -20.453 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.060 -3.795 -19.568 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.164 -2.771 -18.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.083 -3.344 -20.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -8.801 -1.673 -20.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -7.731 -2.665 -21.633 1.00 0.00 H new ATOM 733 N PRO B 16 -0.624 -0.908 -19.154 1.00 0.00 N ATOM 734 CA PRO B 16 0.489 0.054 -18.958 1.00 0.00 C ATOM 735 C PRO B 16 0.118 1.426 -19.528 1.00 0.00 C ATOM 736 O PRO B 16 0.100 1.627 -20.726 1.00 0.00 O ATOM 737 CB PRO B 16 1.642 -0.567 -19.742 1.00 0.00 C ATOM 738 CG PRO B 16 0.989 -1.428 -20.775 1.00 0.00 C ATOM 739 CD PRO B 16 -0.325 -1.892 -20.201 1.00 0.00 C ATOM 0 HA PRO B 16 0.733 0.218 -17.908 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.264 0.200 -20.204 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.290 -1.154 -19.092 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.830 -0.869 -21.697 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.623 -2.279 -21.023 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -1.106 -1.916 -20.961 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.248 -2.899 -19.792 1.00 0.00 H new ATOM 747 N ILE B 17 -0.177 2.372 -18.678 1.00 0.00 N ATOM 748 CA ILE B 17 -0.546 3.730 -19.172 1.00 0.00 C ATOM 749 C ILE B 17 0.703 4.607 -19.286 1.00 0.00 C ATOM 750 O ILE B 17 1.807 4.169 -19.030 1.00 0.00 O ATOM 751 CB ILE B 17 -1.502 4.295 -18.125 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.492 3.211 -17.690 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.271 5.475 -18.718 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.103 2.691 -16.305 1.00 0.00 C ATOM 0 H ILE B 17 -0.179 2.264 -17.664 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.004 3.696 -20.160 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.929 4.630 -17.260 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.504 3.616 -17.667 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.492 2.393 -18.411 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.953 5.878 -17.969 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.569 6.251 -19.023 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.840 5.140 -19.585 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.808 1.919 -15.995 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.098 2.271 -16.343 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -2.126 3.512 -15.588 1.00 0.00 H new ATOM 766 N TYR B 18 0.538 5.845 -19.666 1.00 0.00 N ATOM 767 CA TYR B 18 1.717 6.749 -19.794 1.00 0.00 C ATOM 768 C TYR B 18 1.260 8.210 -19.840 1.00 0.00 C ATOM 769 O TYR B 18 1.356 8.869 -20.856 1.00 0.00 O ATOM 770 CB TYR B 18 2.380 6.353 -21.114 1.00 0.00 C ATOM 771 CG TYR B 18 3.836 6.038 -20.872 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.217 4.756 -20.458 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.807 7.030 -21.061 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.568 4.465 -20.234 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.158 6.738 -20.837 1.00 0.00 C ATOM 776 CZ TYR B 18 6.538 5.457 -20.423 1.00 0.00 C ATOM 777 OH TYR B 18 7.870 5.170 -20.202 1.00 0.00 O ATOM 0 H TYR B 18 -0.361 6.269 -19.893 1.00 0.00 H new ATOM 0 HA TYR B 18 2.402 6.656 -18.951 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.876 5.486 -21.541 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.288 7.163 -21.837 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.469 3.991 -20.311 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.514 8.019 -21.379 1.00 0.00 H new ATOM 0 HE1 TYR B 18 5.862 3.476 -19.916 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.907 7.502 -20.984 1.00 0.00 H new ATOM 0 HH TYR B 18 8.410 5.968 -20.380 1.00 0.00 H new ATOM 787 N LYS B 19 0.765 8.721 -18.746 1.00 0.00 N ATOM 788 CA LYS B 19 0.302 10.139 -18.727 1.00 0.00 C ATOM 789 C LYS B 19 0.820 10.848 -17.473 1.00 0.00 C ATOM 790 O LYS B 19 0.928 10.260 -16.416 1.00 0.00 O ATOM 791 CB LYS B 19 -1.225 10.057 -18.704 1.00 0.00 C ATOM 792 CG LYS B 19 -1.810 11.199 -19.537 1.00 0.00 C ATOM 793 CD LYS B 19 -2.877 10.646 -20.485 1.00 0.00 C ATOM 794 CE LYS B 19 -3.681 11.804 -21.080 1.00 0.00 C ATOM 795 NZ LYS B 19 -5.035 11.240 -21.335 1.00 0.00 N ATOM 0 H LYS B 19 0.661 8.219 -17.864 1.00 0.00 H new ATOM 0 HA LYS B 19 0.667 10.704 -19.585 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.554 9.097 -19.102 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.588 10.118 -17.678 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.246 11.954 -18.883 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.021 11.689 -20.107 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -2.407 10.069 -21.281 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.540 9.968 -19.948 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.728 12.647 -20.391 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.225 12.169 -22.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.646 11.975 -21.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.960 10.443 -21.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.446 10.907 -20.440 1.00 0.00 H new ATOM 809 N LYS B 20 1.142 12.109 -17.584 1.00 0.00 N ATOM 810 CA LYS B 20 1.652 12.856 -16.398 1.00 0.00 C ATOM 811 C LYS B 20 2.167 14.234 -16.824 1.00 0.00 C ATOM 812 O LYS B 20 3.357 14.474 -16.874 1.00 0.00 O ATOM 813 CB LYS B 20 2.795 12.002 -15.849 1.00 0.00 C ATOM 814 CG LYS B 20 2.471 11.575 -14.416 1.00 0.00 C ATOM 815 CD LYS B 20 3.770 11.277 -13.665 1.00 0.00 C ATOM 816 CE LYS B 20 4.057 12.405 -12.671 1.00 0.00 C ATOM 817 NZ LYS B 20 4.296 13.608 -13.515 1.00 0.00 N ATOM 0 H LYS B 20 1.074 12.654 -18.444 1.00 0.00 H new ATOM 0 HA LYS B 20 0.876 13.023 -15.651 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.941 11.123 -16.477 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.727 12.567 -15.869 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.917 12.364 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS B 20 1.833 10.692 -14.424 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.688 10.326 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.596 11.181 -14.370 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.217 12.558 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS B 20 4.926 12.176 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 4.727 14.357 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 4.936 13.362 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 3.392 13.946 -13.902 1.00 0.00 H new ATOM 831 N ALA B 21 1.280 15.140 -17.133 1.00 0.00 N ATOM 832 CA ALA B 21 1.720 16.502 -17.554 1.00 0.00 C ATOM 833 C ALA B 21 1.419 17.520 -16.451 1.00 0.00 C ATOM 834 O ALA B 21 0.445 17.392 -15.736 1.00 0.00 O ATOM 835 CB ALA B 21 0.901 16.810 -18.808 1.00 0.00 C ATOM 0 H ALA B 21 0.270 14.997 -17.112 1.00 0.00 H new ATOM 0 HA ALA B 21 2.792 16.551 -17.745 1.00 0.00 H new ATOM 0 HB1 ALA B 21 1.166 17.799 -19.182 1.00 0.00 H new ATOM 0 HB2 ALA B 21 1.113 16.064 -19.574 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.161 16.787 -18.564 1.00 0.00 H new ATOM 841 N PRO B 22 2.274 18.502 -16.353 1.00 0.00 N ATOM 842 CA PRO B 22 2.104 19.561 -15.328 1.00 0.00 C ATOM 843 C PRO B 22 0.950 20.493 -15.707 1.00 0.00 C ATOM 844 O PRO B 22 0.253 20.269 -16.677 1.00 0.00 O ATOM 845 CB PRO B 22 3.437 20.304 -15.360 1.00 0.00 C ATOM 846 CG PRO B 22 3.987 20.056 -16.729 1.00 0.00 C ATOM 847 CD PRO B 22 3.465 18.716 -17.180 1.00 0.00 C ATOM 0 HA PRO B 22 1.863 19.168 -14.340 1.00 0.00 H new ATOM 0 HB2 PRO B 22 3.299 21.370 -15.177 1.00 0.00 H new ATOM 0 HB3 PRO B 22 4.114 19.934 -14.590 1.00 0.00 H new ATOM 0 HG2 PRO B 22 3.676 20.842 -17.417 1.00 0.00 H new ATOM 0 HG3 PRO B 22 5.077 20.059 -16.713 1.00 0.00 H new ATOM 0 HD2 PRO B 22 3.218 18.721 -18.242 1.00 0.00 H new ATOM 0 HD3 PRO B 22 4.203 17.928 -17.028 1.00 0.00 H new ATOM 855 N THR B 23 0.746 21.536 -14.951 1.00 0.00 N ATOM 856 CA THR B 23 -0.358 22.484 -15.266 1.00 0.00 C ATOM 857 C THR B 23 -0.245 23.735 -14.389 1.00 0.00 C ATOM 858 O THR B 23 -0.175 23.651 -13.179 1.00 0.00 O ATOM 859 CB THR B 23 -1.646 21.718 -14.950 1.00 0.00 C ATOM 860 OG1 THR B 23 -1.910 20.789 -15.993 1.00 0.00 O ATOM 861 CG2 THR B 23 -2.813 22.699 -14.832 1.00 0.00 C ATOM 0 H THR B 23 1.298 21.773 -14.127 1.00 0.00 H new ATOM 0 HA THR B 23 -0.331 22.819 -16.303 1.00 0.00 H new ATOM 0 HB THR B 23 -1.528 21.184 -14.007 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.128 20.725 -16.580 1.00 0.00 H new ATOM 0 HG21 THR B 23 -3.728 22.151 -14.607 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.610 23.411 -14.032 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.934 23.236 -15.773 1.00 0.00 H new ATOM 869 N ASN B 24 -0.225 24.893 -14.989 1.00 0.00 N ATOM 870 CA ASN B 24 -0.117 26.146 -14.190 1.00 0.00 C ATOM 871 C ASN B 24 -0.731 27.319 -14.957 1.00 0.00 C ATOM 872 O ASN B 24 -0.058 28.013 -15.693 1.00 0.00 O ATOM 873 CB ASN B 24 1.384 26.361 -13.992 1.00 0.00 C ATOM 874 CG ASN B 24 1.622 27.713 -13.317 1.00 0.00 C ATOM 875 OD1 ASN B 24 1.426 27.854 -12.126 1.00 0.00 O ATOM 876 ND2 ASN B 24 2.039 28.722 -14.033 1.00 0.00 N ATOM 0 H ASN B 24 -0.279 25.026 -15.999 1.00 0.00 H new ATOM 0 HA ASN B 24 -0.648 26.077 -13.241 1.00 0.00 H new ATOM 0 HB2 ASN B 24 1.799 25.560 -13.381 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.897 26.327 -14.953 1.00 0.00 H new ATOM 0 HD21 ASN B 24 2.200 29.628 -13.593 1.00 0.00 H new ATOM 0 HD22 ASN B 24 2.204 28.604 -15.033 1.00 0.00 H new ATOM 883 N GLU B 25 -2.006 27.547 -14.793 1.00 0.00 N ATOM 884 CA GLU B 25 -2.661 28.675 -15.515 1.00 0.00 C ATOM 885 C GLU B 25 -2.328 30.005 -14.832 1.00 0.00 C ATOM 886 O GLU B 25 -1.296 30.598 -15.078 1.00 0.00 O ATOM 887 CB GLU B 25 -4.160 28.378 -15.434 1.00 0.00 C ATOM 888 CG GLU B 25 -4.944 29.533 -16.060 1.00 0.00 C ATOM 889 CD GLU B 25 -6.329 29.620 -15.416 1.00 0.00 C ATOM 890 OE1 GLU B 25 -7.233 28.967 -15.912 1.00 0.00 O ATOM 891 OE2 GLU B 25 -6.462 30.337 -14.438 1.00 0.00 O ATOM 0 H GLU B 25 -2.622 27.001 -14.191 1.00 0.00 H new ATOM 0 HA GLU B 25 -2.322 28.762 -16.547 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.386 27.447 -15.954 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.459 28.243 -14.395 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.406 30.470 -15.918 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.040 29.380 -17.135 1.00 0.00 H new ATOM 898 N PHE B 26 -3.191 30.478 -13.976 1.00 0.00 N ATOM 899 CA PHE B 26 -2.920 31.769 -13.281 1.00 0.00 C ATOM 900 C PHE B 26 -1.469 31.812 -12.792 1.00 0.00 C ATOM 901 O PHE B 26 -0.952 30.847 -12.266 1.00 0.00 O ATOM 902 CB PHE B 26 -3.885 31.790 -12.096 1.00 0.00 C ATOM 903 CG PHE B 26 -3.477 32.878 -11.132 1.00 0.00 C ATOM 904 CD1 PHE B 26 -2.395 32.678 -10.267 1.00 0.00 C ATOM 905 CD2 PHE B 26 -4.181 34.088 -11.103 1.00 0.00 C ATOM 906 CE1 PHE B 26 -2.016 33.687 -9.374 1.00 0.00 C ATOM 907 CE2 PHE B 26 -3.803 35.098 -10.210 1.00 0.00 C ATOM 908 CZ PHE B 26 -2.720 34.897 -9.345 1.00 0.00 C ATOM 0 H PHE B 26 -4.072 30.027 -13.727 1.00 0.00 H new ATOM 0 HA PHE B 26 -3.060 32.629 -13.937 1.00 0.00 H new ATOM 0 HB2 PHE B 26 -4.903 31.962 -12.446 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -3.880 30.823 -11.593 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.852 31.745 -10.289 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -5.016 34.242 -11.770 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -1.181 33.532 -8.707 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.346 36.031 -10.188 1.00 0.00 H new ATOM 0 HZ PHE B 26 -2.428 35.675 -8.656 1.00 0.00 H new ATOM 918 N TYR B 27 -0.809 32.925 -12.963 1.00 0.00 N ATOM 919 CA TYR B 27 0.608 33.029 -12.508 1.00 0.00 C ATOM 920 C TYR B 27 0.739 34.101 -11.424 1.00 0.00 C ATOM 921 O TYR B 27 1.411 33.914 -10.430 1.00 0.00 O ATOM 922 CB TYR B 27 1.396 33.427 -13.756 1.00 0.00 C ATOM 923 CG TYR B 27 0.893 34.756 -14.266 1.00 0.00 C ATOM 924 CD1 TYR B 27 -0.175 34.800 -15.171 1.00 0.00 C ATOM 925 CD2 TYR B 27 1.493 35.945 -13.836 1.00 0.00 C ATOM 926 CE1 TYR B 27 -0.642 36.031 -15.644 1.00 0.00 C ATOM 927 CE2 TYR B 27 1.026 37.177 -14.309 1.00 0.00 C ATOM 928 CZ TYR B 27 -0.042 37.220 -15.213 1.00 0.00 C ATOM 929 OH TYR B 27 -0.501 38.435 -15.680 1.00 0.00 O ATOM 0 H TYR B 27 -1.189 33.766 -13.397 1.00 0.00 H new ATOM 0 HA TYR B 27 0.973 32.097 -12.076 1.00 0.00 H new ATOM 0 HB2 TYR B 27 2.459 33.494 -13.522 1.00 0.00 H new ATOM 0 HB3 TYR B 27 1.286 32.664 -14.527 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -0.638 33.883 -15.504 1.00 0.00 H new ATOM 0 HD2 TYR B 27 2.317 35.912 -13.139 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -1.466 36.064 -16.342 1.00 0.00 H new ATOM 0 HE2 TYR B 27 1.490 38.094 -13.977 1.00 0.00 H new ATOM 0 HH TYR B 27 0.025 39.159 -15.280 1.00 0.00 H new ATOM 939 N ALA B 28 0.100 35.225 -11.607 1.00 0.00 N ATOM 940 CA ALA B 28 0.188 36.308 -10.587 1.00 0.00 C ATOM 941 C ALA B 28 -1.144 37.057 -10.494 1.00 0.00 C ATOM 942 O ALA B 28 -1.401 37.643 -9.455 1.00 0.00 O ATOM 943 CB ALA B 28 1.293 37.237 -11.090 1.00 0.00 C ATOM 944 OXT ALA B 28 -1.884 37.031 -11.463 1.00 0.00 O ATOM 0 H ALA B 28 -0.479 35.440 -12.419 1.00 0.00 H new ATOM 0 HA ALA B 28 0.404 35.921 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA B 28 1.420 38.064 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA B 28 2.228 36.682 -11.168 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.021 37.629 -12.070 1.00 0.00 H new TER 950 ALA B 28