USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 1.2: B 20 LYS NZ :NH3+ -163:sc= -0.0148 (180deg=-0.405) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -163:sc= -0.014 (180deg=-0.426) USER MOD Set 2.2: B 19 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -174:sc= -0.515 (180deg=-0.66) USER MOD Single : A 2 MET CE :methyl -124:sc= -0.183 (180deg=-0.825) 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=-0.00884 USER MOD Single : A 10 TYR OH : rot 180:sc= -2.08! 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 23 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 24 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.94) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -175:sc= -0.481 (180deg=-0.55) USER MOD Single : B 2 MET CE :methyl -146:sc= -0.137 (180deg=-0.793) 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= -0.0078 USER MOD Single : B 10 TYR OH : rot 180:sc= -2.09! 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 23 THR OG1 : rot 180:sc= -0.126 USER MOD Single : B 24 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.97) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.055 -20.187 5.552 1.00 0.00 N ATOM 2 CA ARG A 1 -5.942 -18.922 4.769 1.00 0.00 C ATOM 3 C ARG A 1 -6.244 -19.186 3.292 1.00 0.00 C ATOM 4 O ARG A 1 -5.967 -18.368 2.436 1.00 0.00 O ATOM 5 CB ARG A 1 -4.492 -18.473 4.949 1.00 0.00 C ATOM 6 CG ARG A 1 -4.225 -18.187 6.429 1.00 0.00 C ATOM 7 CD ARG A 1 -2.982 -17.305 6.562 1.00 0.00 C ATOM 8 NE ARG A 1 -2.613 -17.378 8.004 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.666 -16.612 8.474 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.806 -16.065 7.661 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.582 -16.394 9.758 1.00 0.00 N ATOM 0 H1 ARG A 1 -5.948 -19.979 6.565 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.986 -20.618 5.383 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.309 -20.848 5.254 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.648 -18.163 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -3.813 -19.246 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.301 -17.579 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.086 -17.690 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.080 -19.122 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.172 -17.666 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.191 -16.279 6.259 1.00 0.00 H new ATOM 0 HE ARG A 1 -3.100 -18.026 8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -0.873 -16.235 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.066 -15.467 8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.256 -16.822 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.843 -15.796 10.126 1.00 0.00 H new ATOM 27 N MET A 2 -6.810 -20.321 2.985 1.00 0.00 N ATOM 28 CA MET A 2 -7.129 -20.634 1.562 1.00 0.00 C ATOM 29 C MET A 2 -8.645 -20.673 1.356 1.00 0.00 C ATOM 30 O MET A 2 -9.353 -21.403 2.022 1.00 0.00 O ATOM 31 CB MET A 2 -6.518 -22.015 1.315 1.00 0.00 C ATOM 32 CG MET A 2 -5.188 -21.860 0.577 1.00 0.00 C ATOM 33 SD MET A 2 -5.476 -21.933 -1.209 1.00 0.00 S ATOM 34 CE MET A 2 -5.809 -23.709 -1.312 1.00 0.00 C ATOM 0 H MET A 2 -7.065 -21.045 3.657 1.00 0.00 H new ATOM 0 HA MET A 2 -6.735 -19.885 0.875 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.362 -22.530 2.263 1.00 0.00 H new ATOM 0 HB3 MET A 2 -7.202 -22.627 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 2 -4.721 -20.911 0.842 1.00 0.00 H new ATOM 0 HG3 MET A 2 -4.499 -22.649 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 2 -5.126 -24.166 -2.027 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.666 -24.163 -0.332 1.00 0.00 H new ATOM 0 HE3 MET A 2 -6.837 -23.868 -1.639 1.00 0.00 H new ATOM 44 N LYS A 3 -9.149 -19.893 0.440 1.00 0.00 N ATOM 45 CA LYS A 3 -10.619 -19.886 0.192 1.00 0.00 C ATOM 46 C LYS A 3 -10.998 -21.006 -0.781 1.00 0.00 C ATOM 47 O LYS A 3 -10.154 -21.742 -1.253 1.00 0.00 O ATOM 48 CB LYS A 3 -10.910 -18.517 -0.425 1.00 0.00 C ATOM 49 CG LYS A 3 -10.257 -17.425 0.424 1.00 0.00 C ATOM 50 CD LYS A 3 -11.160 -16.190 0.451 1.00 0.00 C ATOM 51 CE LYS A 3 -10.710 -15.252 1.573 1.00 0.00 C ATOM 52 NZ LYS A 3 -11.318 -13.934 1.240 1.00 0.00 N ATOM 0 H LYS A 3 -8.607 -19.260 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.192 -20.052 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.527 -18.477 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.986 -18.353 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.090 -17.789 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.281 -17.166 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.117 -15.674 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.197 -16.488 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.049 -15.609 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.623 -15.185 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.054 -13.237 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.972 -13.616 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.353 -14.027 1.210 1.00 0.00 H new ATOM 66 N LYS A 4 -12.259 -21.139 -1.086 1.00 0.00 N ATOM 67 CA LYS A 4 -12.690 -22.211 -2.029 1.00 0.00 C ATOM 68 C LYS A 4 -13.350 -21.595 -3.265 1.00 0.00 C ATOM 69 O LYS A 4 -14.537 -21.737 -3.483 1.00 0.00 O ATOM 70 CB LYS A 4 -13.699 -23.048 -1.243 1.00 0.00 C ATOM 71 CG LYS A 4 -13.020 -24.320 -0.732 1.00 0.00 C ATOM 72 CD LYS A 4 -13.413 -24.559 0.727 1.00 0.00 C ATOM 73 CE LYS A 4 -13.661 -26.051 0.952 1.00 0.00 C ATOM 74 NZ LYS A 4 -13.818 -26.197 2.426 1.00 0.00 N ATOM 0 H LYS A 4 -13.010 -20.552 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.851 -22.811 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.092 -22.471 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.547 -23.306 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.315 -25.173 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.937 -24.226 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.622 -24.207 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.310 -23.990 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.554 -26.387 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.829 -26.650 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.992 -27.195 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.950 -25.876 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.622 -25.621 2.748 1.00 0.00 H new ATOM 88 N LYS A 5 -12.591 -20.908 -4.075 1.00 0.00 N ATOM 89 CA LYS A 5 -13.176 -20.284 -5.296 1.00 0.00 C ATOM 90 C LYS A 5 -12.091 -19.546 -6.085 1.00 0.00 C ATOM 91 O LYS A 5 -10.955 -19.972 -6.142 1.00 0.00 O ATOM 92 CB LYS A 5 -14.223 -19.299 -4.774 1.00 0.00 C ATOM 93 CG LYS A 5 -15.473 -19.368 -5.653 1.00 0.00 C ATOM 94 CD LYS A 5 -16.721 -19.385 -4.767 1.00 0.00 C ATOM 95 CE LYS A 5 -16.910 -18.009 -4.125 1.00 0.00 C ATOM 96 NZ LYS A 5 -18.383 -17.795 -4.104 1.00 0.00 N ATOM 0 H LYS A 5 -11.592 -20.752 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.611 -21.023 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.478 -19.537 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.819 -18.287 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.504 -18.512 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.444 -20.262 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.598 -19.645 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.621 -20.148 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.493 -17.982 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.406 -17.232 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.593 -16.870 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.751 -17.819 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.835 -18.546 -3.544 1.00 0.00 H new ATOM 110 N ASP A 6 -12.432 -18.443 -6.693 1.00 0.00 N ATOM 111 CA ASP A 6 -11.420 -17.680 -7.478 1.00 0.00 C ATOM 112 C ASP A 6 -10.842 -18.558 -8.592 1.00 0.00 C ATOM 113 O ASP A 6 -9.927 -19.327 -8.377 1.00 0.00 O ATOM 114 CB ASP A 6 -10.333 -17.310 -6.468 1.00 0.00 C ATOM 115 CG ASP A 6 -10.974 -16.651 -5.246 1.00 0.00 C ATOM 116 OD1 ASP A 6 -11.768 -15.744 -5.435 1.00 0.00 O ATOM 117 OD2 ASP A 6 -10.661 -17.065 -4.142 1.00 0.00 O ATOM 0 H ASP A 6 -13.368 -18.037 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.847 -16.800 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.783 -18.202 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.613 -16.631 -6.925 1.00 0.00 H new ATOM 122 N GLU A 7 -11.370 -18.448 -9.780 1.00 0.00 N ATOM 123 CA GLU A 7 -10.851 -19.277 -10.906 1.00 0.00 C ATOM 124 C GLU A 7 -9.336 -19.099 -11.038 1.00 0.00 C ATOM 125 O GLU A 7 -8.698 -18.490 -10.203 1.00 0.00 O ATOM 126 CB GLU A 7 -11.564 -18.748 -12.149 1.00 0.00 C ATOM 127 CG GLU A 7 -13.067 -19.013 -12.030 1.00 0.00 C ATOM 128 CD GLU A 7 -13.837 -17.952 -12.818 1.00 0.00 C ATOM 129 OE1 GLU A 7 -13.788 -17.996 -14.036 1.00 0.00 O ATOM 130 OE2 GLU A 7 -14.464 -17.115 -12.190 1.00 0.00 O ATOM 0 H GLU A 7 -12.138 -17.821 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.034 -20.341 -10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.380 -17.679 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.168 -19.233 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.303 -20.007 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.369 -18.993 -10.983 1.00 0.00 H new ATOM 137 N GLY A 8 -8.756 -19.625 -12.082 1.00 0.00 N ATOM 138 CA GLY A 8 -7.284 -19.485 -12.266 1.00 0.00 C ATOM 139 C GLY A 8 -6.946 -18.031 -12.600 1.00 0.00 C ATOM 140 O GLY A 8 -6.657 -17.236 -11.729 1.00 0.00 O ATOM 0 H GLY A 8 -9.238 -20.145 -12.815 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.763 -19.791 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.943 -20.142 -13.066 1.00 0.00 H new ATOM 144 N SER A 9 -6.982 -17.677 -13.855 1.00 0.00 N ATOM 145 CA SER A 9 -6.667 -16.276 -14.243 1.00 0.00 C ATOM 146 C SER A 9 -7.008 -16.047 -15.719 1.00 0.00 C ATOM 147 O SER A 9 -7.271 -16.975 -16.457 1.00 0.00 O ATOM 148 CB SER A 9 -5.165 -16.126 -14.008 1.00 0.00 C ATOM 149 OG SER A 9 -4.933 -15.016 -13.151 1.00 0.00 O ATOM 0 H SER A 9 -7.216 -18.299 -14.629 1.00 0.00 H new ATOM 0 HA SER A 9 -7.242 -15.549 -13.669 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.762 -17.035 -13.562 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.649 -15.981 -14.957 1.00 0.00 H new ATOM 0 HG SER A 9 -3.970 -14.918 -12.996 1.00 0.00 H new ATOM 155 N TYR A 10 -7.006 -14.816 -16.154 1.00 0.00 N ATOM 156 CA TYR A 10 -7.329 -14.529 -17.581 1.00 0.00 C ATOM 157 C TYR A 10 -6.107 -13.943 -18.293 1.00 0.00 C ATOM 158 O TYR A 10 -4.979 -14.215 -17.935 1.00 0.00 O ATOM 159 CB TYR A 10 -8.464 -13.505 -17.532 1.00 0.00 C ATOM 160 CG TYR A 10 -7.986 -12.258 -16.828 1.00 0.00 C ATOM 161 CD1 TYR A 10 -8.110 -12.147 -15.438 1.00 0.00 C ATOM 162 CD2 TYR A 10 -7.420 -11.211 -17.564 1.00 0.00 C ATOM 163 CE1 TYR A 10 -7.667 -10.991 -14.785 1.00 0.00 C ATOM 164 CE2 TYR A 10 -6.977 -10.054 -16.912 1.00 0.00 C ATOM 165 CZ TYR A 10 -7.101 -9.943 -15.522 1.00 0.00 C ATOM 166 OH TYR A 10 -6.664 -8.804 -14.879 1.00 0.00 O ATOM 0 H TYR A 10 -6.795 -13.997 -15.583 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.614 -15.427 -18.129 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.793 -13.262 -18.542 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.324 -13.924 -17.009 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.548 -12.954 -14.869 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.325 -11.296 -18.636 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.762 -10.907 -13.712 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.540 -9.247 -17.481 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.297 -8.177 -15.537 1.00 0.00 H new ATOM 176 N ASP A 11 -6.323 -13.142 -19.301 1.00 0.00 N ATOM 177 CA ASP A 11 -5.177 -12.543 -20.035 1.00 0.00 C ATOM 178 C ASP A 11 -4.463 -11.513 -19.156 1.00 0.00 C ATOM 179 O ASP A 11 -4.567 -11.538 -17.946 1.00 0.00 O ATOM 180 CB ASP A 11 -5.799 -11.866 -21.257 1.00 0.00 C ATOM 181 CG ASP A 11 -5.032 -12.278 -22.515 1.00 0.00 C ATOM 182 OD1 ASP A 11 -4.934 -13.468 -22.762 1.00 0.00 O ATOM 183 OD2 ASP A 11 -4.557 -11.395 -23.210 1.00 0.00 O ATOM 0 H ASP A 11 -7.246 -12.878 -19.647 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.433 -13.289 -20.316 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.848 -12.149 -21.348 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.771 -10.783 -21.139 1.00 0.00 H new ATOM 188 N LEU A 12 -3.741 -10.606 -19.756 1.00 0.00 N ATOM 189 CA LEU A 12 -3.023 -9.574 -18.958 1.00 0.00 C ATOM 190 C LEU A 12 -2.154 -8.707 -19.874 1.00 0.00 C ATOM 191 O LEU A 12 -1.853 -9.076 -20.991 1.00 0.00 O ATOM 192 CB LEU A 12 -2.149 -10.359 -17.978 1.00 0.00 C ATOM 193 CG LEU A 12 -1.444 -11.497 -18.718 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.071 -11.328 -18.592 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.859 -12.838 -18.106 1.00 0.00 C ATOM 0 H LEU A 12 -3.618 -10.536 -20.766 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.710 -8.904 -18.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.413 -9.698 -17.521 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.761 -10.761 -17.170 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.726 -11.474 -19.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.573 -12.139 -19.120 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.368 -10.374 -19.027 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.353 -11.350 -17.539 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.357 -13.649 -18.633 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.578 -12.860 -17.053 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.938 -12.960 -18.196 1.00 0.00 H new ATOM 207 N GLY A 13 -1.750 -7.557 -19.410 1.00 0.00 N ATOM 208 CA GLY A 13 -0.902 -6.668 -20.253 1.00 0.00 C ATOM 209 C GLY A 13 0.518 -6.629 -19.687 1.00 0.00 C ATOM 210 O GLY A 13 1.402 -7.321 -20.152 1.00 0.00 O ATOM 0 H GLY A 13 -1.971 -7.194 -18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.885 -7.031 -21.280 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.323 -5.663 -20.277 1.00 0.00 H new ATOM 214 N LYS A 14 0.746 -5.826 -18.684 1.00 0.00 N ATOM 215 CA LYS A 14 2.106 -5.743 -18.087 1.00 0.00 C ATOM 216 C LYS A 14 2.068 -4.930 -16.790 1.00 0.00 C ATOM 217 O LYS A 14 1.762 -5.445 -15.733 1.00 0.00 O ATOM 218 CB LYS A 14 2.964 -5.050 -19.147 1.00 0.00 C ATOM 219 CG LYS A 14 4.365 -4.800 -18.585 1.00 0.00 C ATOM 220 CD LYS A 14 5.197 -6.079 -18.697 1.00 0.00 C ATOM 221 CE LYS A 14 6.560 -5.861 -18.036 1.00 0.00 C ATOM 222 NZ LYS A 14 7.298 -7.138 -18.250 1.00 0.00 N ATOM 0 H LYS A 14 0.046 -5.223 -18.252 1.00 0.00 H new ATOM 0 HA LYS A 14 2.505 -6.723 -17.826 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.025 -5.668 -20.042 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.505 -4.106 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.848 -3.990 -19.132 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.300 -4.486 -17.543 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.676 -6.907 -18.217 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.328 -6.350 -19.745 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.087 -5.020 -18.486 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.453 -5.639 -16.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.244 -7.068 -17.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.776 -7.920 -17.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.390 -7.319 -19.270 1.00 0.00 H new ATOM 236 N LYS A 15 2.375 -3.666 -16.862 1.00 0.00 N ATOM 237 CA LYS A 15 2.357 -2.822 -15.632 1.00 0.00 C ATOM 238 C LYS A 15 1.785 -1.437 -15.950 1.00 0.00 C ATOM 239 O LYS A 15 2.123 -0.842 -16.953 1.00 0.00 O ATOM 240 CB LYS A 15 3.819 -2.714 -15.204 1.00 0.00 C ATOM 241 CG LYS A 15 4.265 -4.031 -14.564 1.00 0.00 C ATOM 242 CD LYS A 15 4.123 -3.933 -13.044 1.00 0.00 C ATOM 243 CE LYS A 15 2.863 -4.678 -12.600 1.00 0.00 C ATOM 244 NZ LYS A 15 3.304 -5.537 -11.464 1.00 0.00 N ATOM 0 H LYS A 15 2.638 -3.179 -17.719 1.00 0.00 H new ATOM 0 HA LYS A 15 1.734 -3.250 -14.846 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.445 -2.487 -16.067 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.942 -1.894 -14.496 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.661 -4.855 -14.944 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.300 -4.245 -14.830 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.001 -4.359 -12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.066 -2.888 -12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.082 -3.983 -12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.452 -5.278 -13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.493 -6.080 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.043 -6.192 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.684 -4.938 -10.703 1.00 0.00 H new ATOM 258 N PRO A 16 0.934 -0.972 -15.076 1.00 0.00 N ATOM 259 CA PRO A 16 0.303 0.359 -15.260 1.00 0.00 C ATOM 260 C PRO A 16 1.318 1.473 -14.994 1.00 0.00 C ATOM 261 O PRO A 16 1.665 1.753 -13.864 1.00 0.00 O ATOM 262 CB PRO A 16 -0.808 0.374 -14.214 1.00 0.00 C ATOM 263 CG PRO A 16 -0.365 -0.593 -13.163 1.00 0.00 C ATOM 264 CD PRO A 16 0.483 -1.634 -13.848 1.00 0.00 C ATOM 0 HA PRO A 16 -0.068 0.522 -16.272 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.945 1.372 -13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.762 0.075 -14.648 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.204 -0.083 -12.386 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.225 -1.055 -12.678 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.325 -1.936 -13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.090 -2.535 -14.068 1.00 0.00 H new ATOM 272 N ILE A 17 1.798 2.111 -16.027 1.00 0.00 N ATOM 273 CA ILE A 17 2.790 3.207 -15.832 1.00 0.00 C ATOM 274 C ILE A 17 2.070 4.547 -15.661 1.00 0.00 C ATOM 275 O ILE A 17 0.858 4.616 -15.661 1.00 0.00 O ATOM 276 CB ILE A 17 3.637 3.212 -17.101 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.981 1.774 -17.498 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.929 3.993 -16.852 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.101 1.343 -18.672 1.00 0.00 C ATOM 0 H ILE A 17 1.546 1.921 -16.997 1.00 0.00 H new ATOM 0 HA ILE A 17 3.398 3.056 -14.940 1.00 0.00 H new ATOM 0 HB ILE A 17 3.074 3.685 -17.906 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.033 1.704 -17.774 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.828 1.105 -16.651 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.533 3.996 -17.759 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.686 5.019 -16.574 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.489 3.522 -16.045 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.347 0.319 -18.954 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.052 1.397 -18.380 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.276 2.005 -19.520 1.00 0.00 H new ATOM 291 N TYR A 18 2.809 5.614 -15.517 1.00 0.00 N ATOM 292 CA TYR A 18 2.165 6.949 -15.346 1.00 0.00 C ATOM 293 C TYR A 18 3.178 8.062 -15.628 1.00 0.00 C ATOM 294 O TYR A 18 3.584 8.784 -14.739 1.00 0.00 O ATOM 295 CB TYR A 18 1.716 6.988 -13.886 1.00 0.00 C ATOM 296 CG TYR A 18 0.307 7.526 -13.806 1.00 0.00 C ATOM 297 CD1 TYR A 18 -0.665 7.078 -14.708 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.027 8.472 -12.831 1.00 0.00 C ATOM 299 CE1 TYR A 18 -1.970 7.575 -14.635 1.00 0.00 C ATOM 300 CE2 TYR A 18 -1.334 8.970 -12.757 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.305 8.522 -13.659 1.00 0.00 C ATOM 302 OH TYR A 18 -3.593 9.013 -13.587 1.00 0.00 O ATOM 0 H TYR A 18 3.829 5.620 -15.510 1.00 0.00 H new ATOM 0 HA TYR A 18 1.331 7.098 -16.031 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.760 5.988 -13.454 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.390 7.616 -13.304 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.407 6.348 -15.461 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.723 8.818 -12.135 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.720 7.229 -15.331 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.592 9.700 -12.004 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.656 9.660 -12.854 1.00 0.00 H new ATOM 312 N LYS A 19 3.587 8.207 -16.859 1.00 0.00 N ATOM 313 CA LYS A 19 4.572 9.274 -17.195 1.00 0.00 C ATOM 314 C LYS A 19 4.118 10.040 -18.441 1.00 0.00 C ATOM 315 O LYS A 19 3.555 9.476 -19.358 1.00 0.00 O ATOM 316 CB LYS A 19 5.880 8.533 -17.470 1.00 0.00 C ATOM 317 CG LYS A 19 7.061 9.397 -17.023 1.00 0.00 C ATOM 318 CD LYS A 19 7.057 9.520 -15.498 1.00 0.00 C ATOM 319 CE LYS A 19 8.275 8.794 -14.923 1.00 0.00 C ATOM 320 NZ LYS A 19 8.449 9.360 -13.556 1.00 0.00 N ATOM 0 H LYS A 19 3.282 7.634 -17.646 1.00 0.00 H new ATOM 0 HA LYS A 19 4.678 10.005 -16.393 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.890 7.582 -16.938 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.964 8.305 -18.533 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.998 8.953 -17.360 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.995 10.385 -17.478 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.076 10.570 -15.207 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.140 9.093 -15.091 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.112 7.717 -14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.161 8.962 -15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.277 8.924 -13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.592 10.388 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.600 9.164 -12.988 1.00 0.00 H new ATOM 334 N LYS A 20 4.360 11.323 -18.481 1.00 0.00 N ATOM 335 CA LYS A 20 3.944 12.125 -19.667 1.00 0.00 C ATOM 336 C LYS A 20 4.133 13.619 -19.385 1.00 0.00 C ATOM 337 O LYS A 20 3.181 14.349 -19.193 1.00 0.00 O ATOM 338 CB LYS A 20 2.464 11.801 -19.870 1.00 0.00 C ATOM 339 CG LYS A 20 2.263 11.178 -21.254 1.00 0.00 C ATOM 340 CD LYS A 20 0.815 11.383 -21.701 1.00 0.00 C ATOM 341 CE LYS A 20 0.751 12.515 -22.728 1.00 0.00 C ATOM 342 NZ LYS A 20 -0.685 12.604 -23.113 1.00 0.00 N ATOM 0 H LYS A 20 4.828 11.850 -17.743 1.00 0.00 H new ATOM 0 HA LYS A 20 4.535 11.890 -20.552 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.122 11.113 -19.097 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.866 12.708 -19.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.944 11.634 -21.972 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.498 10.114 -21.223 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.424 10.463 -22.134 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.189 11.622 -20.842 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.105 13.454 -22.303 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.379 12.300 -23.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.774 13.139 -24.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.069 11.647 -23.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.216 13.089 -22.362 1.00 0.00 H new ATOM 356 N ALA A 21 5.354 14.077 -19.361 1.00 0.00 N ATOM 357 CA ALA A 21 5.603 15.523 -19.093 1.00 0.00 C ATOM 358 C ALA A 21 6.880 15.980 -19.802 1.00 0.00 C ATOM 359 O ALA A 21 7.827 16.402 -19.167 1.00 0.00 O ATOM 360 CB ALA A 21 5.766 15.622 -17.577 1.00 0.00 C ATOM 0 H ALA A 21 6.190 13.514 -19.515 1.00 0.00 H new ATOM 0 HA ALA A 21 4.794 16.156 -19.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.953 16.659 -17.298 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.855 15.274 -17.090 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.606 15.004 -17.260 1.00 0.00 H new ATOM 366 N PRO A 22 6.861 15.878 -21.103 1.00 0.00 N ATOM 367 CA PRO A 22 8.033 16.285 -21.918 1.00 0.00 C ATOM 368 C PRO A 22 8.155 17.811 -21.955 1.00 0.00 C ATOM 369 O PRO A 22 8.157 18.418 -23.007 1.00 0.00 O ATOM 370 CB PRO A 22 7.714 15.731 -23.303 1.00 0.00 C ATOM 371 CG PRO A 22 6.223 15.620 -23.344 1.00 0.00 C ATOM 372 CD PRO A 22 5.758 15.379 -21.930 1.00 0.00 C ATOM 0 HA PRO A 22 8.979 15.915 -21.524 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.082 16.393 -24.087 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.186 14.761 -23.458 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.780 16.531 -23.745 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.915 14.802 -23.996 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.830 15.910 -21.719 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.569 14.321 -21.747 1.00 0.00 H new ATOM 380 N THR A 23 8.256 18.434 -20.812 1.00 0.00 N ATOM 381 CA THR A 23 8.378 19.921 -20.783 1.00 0.00 C ATOM 382 C THR A 23 7.402 20.551 -21.781 1.00 0.00 C ATOM 383 O THR A 23 7.708 20.713 -22.945 1.00 0.00 O ATOM 384 CB THR A 23 9.823 20.207 -21.192 1.00 0.00 C ATOM 385 OG1 THR A 23 10.606 19.036 -21.011 1.00 0.00 O ATOM 386 CG2 THR A 23 10.385 21.338 -20.328 1.00 0.00 C ATOM 0 H THR A 23 8.259 17.979 -19.899 1.00 0.00 H new ATOM 0 HA THR A 23 8.142 20.336 -19.803 1.00 0.00 H new ATOM 0 HB THR A 23 9.852 20.505 -22.240 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.532 19.218 -21.275 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.415 21.541 -20.620 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.784 22.236 -20.469 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.357 21.043 -19.279 1.00 0.00 H new ATOM 394 N ASN A 24 6.230 20.908 -21.332 1.00 0.00 N ATOM 395 CA ASN A 24 5.235 21.528 -22.256 1.00 0.00 C ATOM 396 C ASN A 24 4.269 22.420 -21.471 1.00 0.00 C ATOM 397 O ASN A 24 3.251 21.970 -20.985 1.00 0.00 O ATOM 398 CB ASN A 24 4.490 20.350 -22.884 1.00 0.00 C ATOM 399 CG ASN A 24 5.011 20.113 -24.301 1.00 0.00 C ATOM 400 OD1 ASN A 24 5.230 18.986 -24.700 1.00 0.00 O ATOM 401 ND2 ASN A 24 5.221 21.135 -25.086 1.00 0.00 N ATOM 0 H ASN A 24 5.918 20.798 -20.367 1.00 0.00 H new ATOM 0 HA ASN A 24 5.707 22.159 -23.009 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.630 19.454 -22.279 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.420 20.554 -22.908 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.569 20.987 -26.034 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.037 22.081 -24.752 1.00 0.00 H new ATOM 408 N GLU A 25 4.580 23.681 -21.344 1.00 0.00 N ATOM 409 CA GLU A 25 3.679 24.599 -20.591 1.00 0.00 C ATOM 410 C GLU A 25 4.064 26.056 -20.858 1.00 0.00 C ATOM 411 O GLU A 25 4.957 26.597 -20.235 1.00 0.00 O ATOM 412 CB GLU A 25 3.895 24.248 -19.119 1.00 0.00 C ATOM 413 CG GLU A 25 2.564 24.335 -18.370 1.00 0.00 C ATOM 414 CD GLU A 25 1.913 25.691 -18.644 1.00 0.00 C ATOM 415 OE1 GLU A 25 1.644 25.976 -19.800 1.00 0.00 O ATOM 416 OE2 GLU A 25 1.692 26.423 -17.693 1.00 0.00 O ATOM 0 H GLU A 25 5.419 24.115 -21.729 1.00 0.00 H new ATOM 0 HA GLU A 25 2.636 24.488 -20.887 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.308 23.243 -19.031 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.619 24.931 -18.674 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.902 23.530 -18.689 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.728 24.208 -17.300 1.00 0.00 H new ATOM 423 N PHE A 26 3.400 26.697 -21.781 1.00 0.00 N ATOM 424 CA PHE A 26 3.729 28.118 -22.087 1.00 0.00 C ATOM 425 C PHE A 26 2.477 28.990 -21.963 1.00 0.00 C ATOM 426 O PHE A 26 1.364 28.511 -22.051 1.00 0.00 O ATOM 427 CB PHE A 26 4.233 28.105 -23.530 1.00 0.00 C ATOM 428 CG PHE A 26 4.557 29.515 -23.964 1.00 0.00 C ATOM 429 CD1 PHE A 26 5.765 30.107 -23.577 1.00 0.00 C ATOM 430 CD2 PHE A 26 3.648 30.231 -24.751 1.00 0.00 C ATOM 431 CE1 PHE A 26 6.064 31.414 -23.978 1.00 0.00 C ATOM 432 CE2 PHE A 26 3.948 31.539 -25.153 1.00 0.00 C ATOM 433 CZ PHE A 26 5.156 32.130 -24.766 1.00 0.00 C ATOM 0 H PHE A 26 2.644 26.298 -22.337 1.00 0.00 H new ATOM 0 HA PHE A 26 4.469 28.528 -21.400 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.119 27.476 -23.611 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.476 27.676 -24.187 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.466 29.555 -22.969 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.715 29.775 -25.048 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.996 31.870 -23.679 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.247 32.091 -25.761 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.387 33.139 -25.075 1.00 0.00 H new ATOM 443 N TYR A 27 2.650 30.268 -21.759 1.00 0.00 N ATOM 444 CA TYR A 27 1.469 31.169 -21.629 1.00 0.00 C ATOM 445 C TYR A 27 1.908 32.632 -21.718 1.00 0.00 C ATOM 446 O TYR A 27 3.077 32.932 -21.861 1.00 0.00 O ATOM 447 CB TYR A 27 0.890 30.866 -20.247 1.00 0.00 C ATOM 448 CG TYR A 27 -0.504 31.437 -20.149 1.00 0.00 C ATOM 449 CD1 TYR A 27 -1.526 30.933 -20.964 1.00 0.00 C ATOM 450 CD2 TYR A 27 -0.776 32.470 -19.243 1.00 0.00 C ATOM 451 CE1 TYR A 27 -2.819 31.463 -20.872 1.00 0.00 C ATOM 452 CE2 TYR A 27 -2.068 32.999 -19.153 1.00 0.00 C ATOM 453 CZ TYR A 27 -3.090 32.496 -19.967 1.00 0.00 C ATOM 454 OH TYR A 27 -4.364 33.019 -19.877 1.00 0.00 O ATOM 0 H TYR A 27 3.557 30.727 -21.677 1.00 0.00 H new ATOM 0 HA TYR A 27 0.738 31.008 -22.421 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.866 29.789 -20.079 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.526 31.295 -19.473 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.317 30.136 -21.663 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.012 32.858 -18.614 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.607 31.075 -21.500 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.277 33.796 -18.455 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.380 33.727 -19.200 1.00 0.00 H new ATOM 464 N ALA A 28 0.981 33.546 -21.636 1.00 0.00 N ATOM 465 CA ALA A 28 1.346 34.990 -21.717 1.00 0.00 C ATOM 466 C ALA A 28 1.810 35.494 -20.349 1.00 0.00 C ATOM 467 O ALA A 28 2.706 34.885 -19.787 1.00 0.00 O ATOM 468 CB ALA A 28 0.061 35.701 -22.144 1.00 0.00 C ATOM 469 OXT ALA A 28 1.261 36.481 -19.886 1.00 0.00 O ATOM 0 H ALA A 28 -0.014 33.356 -21.516 1.00 0.00 H new ATOM 0 HA ALA A 28 2.162 35.171 -22.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.248 36.772 -22.226 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.265 35.314 -23.110 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.717 35.524 -21.401 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -3.334 -23.512 -37.000 1.00 0.00 N ATOM 477 CA ARG B 1 -2.878 -22.234 -36.381 1.00 0.00 C ATOM 478 C ARG B 1 -2.676 -22.418 -34.874 1.00 0.00 C ATOM 479 O ARG B 1 -2.558 -21.464 -34.132 1.00 0.00 O ATOM 480 CB ARG B 1 -4.005 -21.237 -36.653 1.00 0.00 C ATOM 481 CG ARG B 1 -4.165 -21.047 -38.162 1.00 0.00 C ATOM 482 CD ARG B 1 -4.921 -19.745 -38.435 1.00 0.00 C ATOM 483 NE ARG B 1 -5.324 -19.828 -39.866 1.00 0.00 N ATOM 484 CZ ARG B 1 -5.870 -18.797 -40.452 1.00 0.00 C ATOM 485 NH1 ARG B 1 -6.395 -17.842 -39.735 1.00 0.00 N ATOM 486 NH2 ARG B 1 -5.889 -18.721 -41.755 1.00 0.00 N ATOM 0 H1 ARG B 1 -3.386 -23.399 -38.032 1.00 0.00 H new ATOM 0 H2 ARG B 1 -2.660 -24.270 -36.768 1.00 0.00 H new ATOM 0 H3 ARG B 1 -4.274 -23.760 -36.631 1.00 0.00 H new ATOM 0 HA ARG B 1 -1.926 -21.894 -36.790 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -4.938 -21.599 -36.220 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -3.783 -20.282 -36.177 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -3.187 -21.019 -38.642 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -4.706 -21.891 -38.590 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -5.791 -19.649 -37.785 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -4.289 -18.876 -38.252 1.00 0.00 H new ATOM 0 HE ARG B 1 -5.173 -20.691 -40.389 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -6.379 -17.901 -38.717 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -6.822 -17.036 -40.193 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -5.477 -19.467 -42.315 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -6.316 -17.915 -42.213 1.00 0.00 H new ATOM 502 N MET B 2 -2.636 -23.641 -34.417 1.00 0.00 N ATOM 503 CA MET B 2 -2.442 -23.885 -32.958 1.00 0.00 C ATOM 504 C MET B 2 -1.079 -24.537 -32.709 1.00 0.00 C ATOM 505 O MET B 2 -0.766 -25.573 -33.261 1.00 0.00 O ATOM 506 CB MET B 2 -3.572 -24.835 -32.563 1.00 0.00 C ATOM 507 CG MET B 2 -4.692 -24.043 -31.885 1.00 0.00 C ATOM 508 SD MET B 2 -4.414 -24.014 -30.097 1.00 0.00 S ATOM 509 CE MET B 2 -4.862 -25.736 -29.769 1.00 0.00 C ATOM 0 H MET B 2 -2.729 -24.480 -34.989 1.00 0.00 H new ATOM 0 HA MET B 2 -2.464 -22.963 -32.377 1.00 0.00 H new ATOM 0 HB2 MET B 2 -3.957 -25.346 -33.445 1.00 0.00 H new ATOM 0 HB3 MET B 2 -3.196 -25.604 -31.888 1.00 0.00 H new ATOM 0 HG2 MET B 2 -4.721 -23.026 -32.276 1.00 0.00 H new ATOM 0 HG3 MET B 2 -5.658 -24.497 -32.106 1.00 0.00 H new ATOM 0 HE1 MET B 2 -5.340 -25.808 -28.792 1.00 0.00 H new ATOM 0 HE2 MET B 2 -5.552 -26.085 -30.537 1.00 0.00 H new ATOM 0 HE3 MET B 2 -3.964 -26.354 -29.780 1.00 0.00 H new ATOM 519 N LYS B 3 -0.268 -23.939 -31.880 1.00 0.00 N ATOM 520 CA LYS B 3 1.074 -24.526 -31.595 1.00 0.00 C ATOM 521 C LYS B 3 0.967 -25.573 -30.483 1.00 0.00 C ATOM 522 O LYS B 3 -0.096 -25.820 -29.950 1.00 0.00 O ATOM 523 CB LYS B 3 1.933 -23.346 -31.142 1.00 0.00 C ATOM 524 CG LYS B 3 1.781 -22.191 -32.133 1.00 0.00 C ATOM 525 CD LYS B 3 3.121 -21.469 -32.285 1.00 0.00 C ATOM 526 CE LYS B 3 3.080 -20.572 -33.525 1.00 0.00 C ATOM 527 NZ LYS B 3 4.198 -19.607 -33.337 1.00 0.00 N ATOM 0 H LYS B 3 -0.475 -23.070 -31.388 1.00 0.00 H new ATOM 0 HA LYS B 3 1.499 -25.029 -32.464 1.00 0.00 H new ATOM 0 HB2 LYS B 3 1.631 -23.025 -30.145 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.978 -23.648 -31.077 1.00 0.00 H new ATOM 0 HG2 LYS B 3 1.448 -22.569 -33.100 1.00 0.00 H new ATOM 0 HG3 LYS B 3 1.019 -21.495 -31.783 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.327 -20.871 -31.397 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.929 -22.195 -32.375 1.00 0.00 H new ATOM 0 HE2 LYS B 3 3.209 -21.154 -34.438 1.00 0.00 H new ATOM 0 HE3 LYS B 3 2.123 -20.057 -33.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.235 -18.957 -34.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.044 -19.063 -32.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.097 -20.126 -33.268 1.00 0.00 H new ATOM 541 N LYS B 4 2.061 -26.190 -30.131 1.00 0.00 N ATOM 542 CA LYS B 4 2.022 -27.221 -29.054 1.00 0.00 C ATOM 543 C LYS B 4 2.915 -26.798 -27.884 1.00 0.00 C ATOM 544 O LYS B 4 3.935 -27.403 -27.618 1.00 0.00 O ATOM 545 CB LYS B 4 2.560 -28.496 -29.706 1.00 0.00 C ATOM 546 CG LYS B 4 1.392 -29.412 -30.076 1.00 0.00 C ATOM 547 CD LYS B 4 1.608 -29.968 -31.485 1.00 0.00 C ATOM 548 CE LYS B 4 1.193 -31.442 -31.520 1.00 0.00 C ATOM 549 NZ LYS B 4 1.234 -31.817 -32.961 1.00 0.00 N ATOM 0 H LYS B 4 2.980 -26.026 -30.542 1.00 0.00 H new ATOM 0 HA LYS B 4 1.018 -27.361 -28.653 1.00 0.00 H new ATOM 0 HB2 LYS B 4 3.136 -28.246 -30.597 1.00 0.00 H new ATOM 0 HB3 LYS B 4 3.236 -29.009 -29.022 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.315 -30.229 -29.359 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.454 -28.859 -30.031 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.024 -29.397 -32.207 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.655 -29.867 -31.771 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.873 -32.058 -30.932 1.00 0.00 H new ATOM 0 HE3 LYS B 4 0.195 -31.582 -31.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 0.962 -32.815 -33.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 0.572 -31.218 -33.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.197 -31.680 -33.328 1.00 0.00 H new ATOM 563 N LYS B 5 2.540 -25.762 -27.184 1.00 0.00 N ATOM 564 CA LYS B 5 3.367 -25.302 -26.032 1.00 0.00 C ATOM 565 C LYS B 5 2.719 -24.084 -25.368 1.00 0.00 C ATOM 566 O LYS B 5 1.511 -23.977 -25.290 1.00 0.00 O ATOM 567 CB LYS B 5 4.718 -24.924 -26.642 1.00 0.00 C ATOM 568 CG LYS B 5 5.844 -25.410 -25.727 1.00 0.00 C ATOM 569 CD LYS B 5 6.943 -26.061 -26.570 1.00 0.00 C ATOM 570 CE LYS B 5 7.680 -24.984 -27.369 1.00 0.00 C ATOM 571 NZ LYS B 5 9.104 -25.419 -27.377 1.00 0.00 N ATOM 0 H LYS B 5 1.697 -25.215 -27.360 1.00 0.00 H new ATOM 0 HA LYS B 5 3.466 -26.068 -25.262 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.820 -25.370 -27.631 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.781 -23.844 -26.772 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.253 -24.573 -25.161 1.00 0.00 H new ATOM 0 HG3 LYS B 5 5.455 -26.125 -25.003 1.00 0.00 H new ATOM 0 HD2 LYS B 5 7.643 -26.593 -25.926 1.00 0.00 H new ATOM 0 HD3 LYS B 5 6.509 -26.797 -27.246 1.00 0.00 H new ATOM 0 HE2 LYS B 5 7.286 -24.905 -28.382 1.00 0.00 H new ATOM 0 HE3 LYS B 5 7.569 -24.003 -26.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.675 -24.730 -27.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.454 -25.479 -26.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.179 -26.352 -27.830 1.00 0.00 H new ATOM 585 N ASP B 6 3.512 -23.165 -24.889 1.00 0.00 N ATOM 586 CA ASP B 6 2.939 -21.956 -24.230 1.00 0.00 C ATOM 587 C ASP B 6 2.075 -22.364 -23.035 1.00 0.00 C ATOM 588 O ASP B 6 0.914 -22.692 -23.179 1.00 0.00 O ATOM 589 CB ASP B 6 2.085 -21.286 -25.306 1.00 0.00 C ATOM 590 CG ASP B 6 2.912 -21.114 -26.582 1.00 0.00 C ATOM 591 OD1 ASP B 6 4.020 -20.613 -26.482 1.00 0.00 O ATOM 592 OD2 ASP B 6 2.424 -21.486 -27.636 1.00 0.00 O ATOM 0 H ASP B 6 4.531 -23.198 -24.925 1.00 0.00 H new ATOM 0 HA ASP B 6 3.712 -21.288 -23.849 1.00 0.00 H new ATOM 0 HB2 ASP B 6 1.201 -21.890 -25.512 1.00 0.00 H new ATOM 0 HB3 ASP B 6 1.734 -20.316 -24.954 1.00 0.00 H new ATOM 597 N GLU B 7 2.631 -22.347 -21.854 1.00 0.00 N ATOM 598 CA GLU B 7 1.840 -22.733 -20.651 1.00 0.00 C ATOM 599 C GLU B 7 0.547 -21.915 -20.583 1.00 0.00 C ATOM 600 O GLU B 7 0.205 -21.198 -21.502 1.00 0.00 O ATOM 601 CB GLU B 7 2.744 -22.409 -19.461 1.00 0.00 C ATOM 602 CG GLU B 7 3.988 -23.299 -19.508 1.00 0.00 C ATOM 603 CD GLU B 7 5.157 -22.578 -18.834 1.00 0.00 C ATOM 604 OE1 GLU B 7 5.127 -22.448 -17.621 1.00 0.00 O ATOM 605 OE2 GLU B 7 6.063 -22.168 -19.541 1.00 0.00 O ATOM 0 H GLU B 7 3.599 -22.082 -21.670 1.00 0.00 H new ATOM 0 HA GLU B 7 1.550 -23.784 -20.667 1.00 0.00 H new ATOM 0 HB2 GLU B 7 3.034 -21.359 -19.486 1.00 0.00 H new ATOM 0 HB3 GLU B 7 2.205 -22.568 -18.527 1.00 0.00 H new ATOM 0 HG2 GLU B 7 3.791 -24.245 -19.004 1.00 0.00 H new ATOM 0 HG3 GLU B 7 4.240 -23.536 -20.542 1.00 0.00 H new ATOM 612 N GLY B 8 -0.172 -22.016 -19.498 1.00 0.00 N ATOM 613 CA GLY B 8 -1.441 -21.244 -19.372 1.00 0.00 C ATOM 614 C GLY B 8 -1.121 -19.755 -19.226 1.00 0.00 C ATOM 615 O GLY B 8 -1.069 -19.023 -20.195 1.00 0.00 O ATOM 0 H GLY B 8 0.064 -22.599 -18.695 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.067 -21.408 -20.249 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.006 -21.592 -18.507 1.00 0.00 H new ATOM 619 N SER B 9 -0.904 -19.301 -18.022 1.00 0.00 N ATOM 620 CA SER B 9 -0.586 -17.862 -17.815 1.00 0.00 C ATOM 621 C SER B 9 -0.140 -17.622 -16.370 1.00 0.00 C ATOM 622 O SER B 9 -0.275 -18.478 -15.518 1.00 0.00 O ATOM 623 CB SER B 9 -1.887 -17.120 -18.108 1.00 0.00 C ATOM 624 OG SER B 9 -1.651 -16.129 -19.098 1.00 0.00 O ATOM 0 H SER B 9 -0.933 -19.866 -17.173 1.00 0.00 H new ATOM 0 HA SER B 9 0.226 -17.522 -18.457 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.648 -17.820 -18.452 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.268 -16.657 -17.198 1.00 0.00 H new ATOM 0 HG SER B 9 -2.486 -15.652 -19.289 1.00 0.00 H new ATOM 630 N TYR B 10 0.391 -16.463 -16.088 1.00 0.00 N ATOM 631 CA TYR B 10 0.844 -16.170 -14.698 1.00 0.00 C ATOM 632 C TYR B 10 0.006 -15.040 -14.095 1.00 0.00 C ATOM 633 O TYR B 10 -1.142 -14.850 -14.449 1.00 0.00 O ATOM 634 CB TYR B 10 2.304 -15.738 -14.840 1.00 0.00 C ATOM 635 CG TYR B 10 2.381 -14.501 -15.703 1.00 0.00 C ATOM 636 CD1 TYR B 10 2.502 -14.623 -17.092 1.00 0.00 C ATOM 637 CD2 TYR B 10 2.332 -13.232 -15.113 1.00 0.00 C ATOM 638 CE1 TYR B 10 2.574 -13.476 -17.892 1.00 0.00 C ATOM 639 CE2 TYR B 10 2.404 -12.085 -15.912 1.00 0.00 C ATOM 640 CZ TYR B 10 2.525 -12.207 -17.302 1.00 0.00 C ATOM 641 OH TYR B 10 2.596 -11.076 -18.090 1.00 0.00 O ATOM 0 H TYR B 10 0.531 -15.707 -16.759 1.00 0.00 H new ATOM 0 HA TYR B 10 0.736 -17.031 -14.039 1.00 0.00 H new ATOM 0 HB2 TYR B 10 2.732 -15.537 -13.858 1.00 0.00 H new ATOM 0 HB3 TYR B 10 2.891 -16.542 -15.285 1.00 0.00 H new ATOM 0 HD1 TYR B 10 2.540 -15.602 -17.547 1.00 0.00 H new ATOM 0 HD2 TYR B 10 2.239 -13.138 -14.041 1.00 0.00 H new ATOM 0 HE1 TYR B 10 2.667 -13.570 -18.964 1.00 0.00 H new ATOM 0 HE2 TYR B 10 2.366 -11.106 -15.457 1.00 0.00 H new ATOM 0 HH TYR B 10 2.547 -10.278 -17.523 1.00 0.00 H new ATOM 651 N ASP B 11 0.567 -14.291 -13.186 1.00 0.00 N ATOM 652 CA ASP B 11 -0.196 -13.178 -12.561 1.00 0.00 C ATOM 653 C ASP B 11 -0.430 -12.057 -13.578 1.00 0.00 C ATOM 654 O ASP B 11 -0.380 -12.270 -14.773 1.00 0.00 O ATOM 655 CB ASP B 11 0.687 -12.687 -11.414 1.00 0.00 C ATOM 656 CG ASP B 11 -0.148 -12.578 -10.137 1.00 0.00 C ATOM 657 OD1 ASP B 11 -0.735 -13.575 -9.750 1.00 0.00 O ATOM 658 OD2 ASP B 11 -0.185 -11.500 -9.566 1.00 0.00 O ATOM 0 H ASP B 11 1.523 -14.403 -12.849 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.178 -13.497 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.518 -13.376 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.119 -11.717 -11.663 1.00 0.00 H new ATOM 663 N LEU B 12 -0.683 -10.864 -13.112 1.00 0.00 N ATOM 664 CA LEU B 12 -0.918 -9.730 -14.048 1.00 0.00 C ATOM 665 C LEU B 12 -1.312 -8.474 -13.267 1.00 0.00 C ATOM 666 O LEU B 12 -1.711 -8.542 -12.122 1.00 0.00 O ATOM 667 CB LEU B 12 -2.067 -10.184 -14.949 1.00 0.00 C ATOM 668 CG LEU B 12 -3.168 -10.818 -14.095 1.00 0.00 C ATOM 669 CD1 LEU B 12 -4.471 -10.039 -14.283 1.00 0.00 C ATOM 670 CD2 LEU B 12 -3.377 -12.270 -14.529 1.00 0.00 C ATOM 0 H LEU B 12 -0.737 -10.626 -12.122 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.027 -9.481 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -2.466 -9.334 -15.503 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -1.704 -10.902 -15.685 1.00 0.00 H new ATOM 0 HG LEU B 12 -2.875 -10.790 -13.045 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -5.255 -10.490 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -4.324 -9.004 -13.975 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.764 -10.067 -15.333 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.161 -12.722 -13.921 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.670 -12.297 -15.578 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.449 -12.826 -14.397 1.00 0.00 H new ATOM 682 N GLY B 13 -1.202 -7.326 -13.879 1.00 0.00 N ATOM 683 CA GLY B 13 -1.571 -6.067 -13.172 1.00 0.00 C ATOM 684 C GLY B 13 -2.856 -5.498 -13.777 1.00 0.00 C ATOM 685 O GLY B 13 -3.936 -5.689 -13.256 1.00 0.00 O ATOM 0 H GLY B 13 -0.873 -7.206 -14.837 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.713 -6.263 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.764 -5.340 -13.257 1.00 0.00 H new ATOM 689 N LYS B 14 -2.748 -4.802 -14.876 1.00 0.00 N ATOM 690 CA LYS B 14 -3.961 -4.225 -15.515 1.00 0.00 C ATOM 691 C LYS B 14 -3.617 -3.667 -16.899 1.00 0.00 C ATOM 692 O LYS B 14 -3.587 -4.386 -17.878 1.00 0.00 O ATOM 693 CB LYS B 14 -4.417 -3.110 -14.571 1.00 0.00 C ATOM 694 CG LYS B 14 -5.593 -2.360 -15.197 1.00 0.00 C ATOM 695 CD LYS B 14 -6.885 -3.142 -14.952 1.00 0.00 C ATOM 696 CE LYS B 14 -8.045 -2.450 -15.672 1.00 0.00 C ATOM 697 NZ LYS B 14 -9.249 -3.256 -15.324 1.00 0.00 N ATOM 0 H LYS B 14 -1.870 -4.609 -15.358 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.744 -4.969 -15.665 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.711 -3.531 -13.609 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -3.594 -2.422 -14.380 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.672 -1.362 -14.766 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.429 -2.233 -16.267 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.777 -4.165 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -7.090 -3.201 -13.883 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -8.153 -1.416 -15.344 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.883 -2.427 -16.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -10.087 -2.843 -15.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -9.120 -4.233 -15.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -9.382 -3.254 -14.292 1.00 0.00 H new ATOM 711 N LYS B 15 -3.357 -2.394 -16.989 1.00 0.00 N ATOM 712 CA LYS B 15 -3.017 -1.793 -18.311 1.00 0.00 C ATOM 713 C LYS B 15 -1.904 -0.754 -18.148 1.00 0.00 C ATOM 714 O LYS B 15 -1.931 0.045 -17.234 1.00 0.00 O ATOM 715 CB LYS B 15 -4.307 -1.128 -18.789 1.00 0.00 C ATOM 716 CG LYS B 15 -5.285 -2.199 -19.276 1.00 0.00 C ATOM 717 CD LYS B 15 -5.157 -2.356 -20.793 1.00 0.00 C ATOM 718 CE LYS B 15 -4.344 -3.613 -21.110 1.00 0.00 C ATOM 719 NZ LYS B 15 -5.138 -4.333 -22.144 1.00 0.00 N ATOM 0 H LYS B 15 -3.365 -1.742 -16.205 1.00 0.00 H new ATOM 0 HA LYS B 15 -2.656 -2.536 -19.022 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.755 -0.554 -17.978 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -4.090 -0.426 -19.594 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.076 -3.148 -18.783 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.306 -1.921 -19.013 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.146 -2.426 -21.247 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -4.671 -1.479 -21.220 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -3.351 -3.358 -21.481 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -4.204 -4.228 -20.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -4.645 -5.208 -22.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.075 -4.568 -21.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -5.249 -3.726 -22.981 1.00 0.00 H new ATOM 733 N PRO B 16 -0.960 -0.802 -19.048 1.00 0.00 N ATOM 734 CA PRO B 16 0.180 0.146 -19.010 1.00 0.00 C ATOM 735 C PRO B 16 -0.274 1.545 -19.437 1.00 0.00 C ATOM 736 O PRO B 16 -0.500 1.807 -20.602 1.00 0.00 O ATOM 737 CB PRO B 16 1.164 -0.437 -20.020 1.00 0.00 C ATOM 738 CG PRO B 16 0.325 -1.245 -20.958 1.00 0.00 C ATOM 739 CD PRO B 16 -0.865 -1.737 -20.175 1.00 0.00 C ATOM 0 HA PRO B 16 0.612 0.257 -18.016 1.00 0.00 H new ATOM 0 HB2 PRO B 16 1.699 0.351 -20.549 1.00 0.00 H new ATOM 0 HB3 PRO B 16 1.914 -1.057 -19.528 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.005 -0.640 -21.807 1.00 0.00 H new ATOM 0 HG3 PRO B 16 0.895 -2.083 -21.360 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -1.772 -1.727 -20.779 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.721 -2.762 -19.832 1.00 0.00 H new ATOM 747 N ILE B 17 -0.409 2.446 -18.503 1.00 0.00 N ATOM 748 CA ILE B 17 -0.849 3.827 -18.856 1.00 0.00 C ATOM 749 C ILE B 17 0.366 4.705 -19.167 1.00 0.00 C ATOM 750 O ILE B 17 1.493 4.252 -19.143 1.00 0.00 O ATOM 751 CB ILE B 17 -1.580 4.344 -17.619 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.490 3.247 -17.061 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.425 5.561 -17.997 1.00 0.00 C ATOM 754 CD1 ILE B 17 -1.843 2.629 -15.820 1.00 0.00 C ATOM 0 H ILE B 17 -0.234 2.287 -17.511 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.488 3.841 -19.739 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.849 4.628 -16.862 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.465 3.663 -16.807 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.658 2.480 -17.817 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.947 5.930 -17.114 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.778 6.345 -18.390 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.153 5.277 -18.756 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.491 1.848 -15.423 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -0.878 2.198 -16.089 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.698 3.400 -15.063 1.00 0.00 H new ATOM 766 N TYR B 18 0.146 5.957 -19.461 1.00 0.00 N ATOM 767 CA TYR B 18 1.289 6.861 -19.774 1.00 0.00 C ATOM 768 C TYR B 18 0.853 8.324 -19.657 1.00 0.00 C ATOM 769 O TYR B 18 0.766 9.037 -20.636 1.00 0.00 O ATOM 770 CB TYR B 18 1.673 6.530 -21.216 1.00 0.00 C ATOM 771 CG TYR B 18 3.175 6.406 -21.321 1.00 0.00 C ATOM 772 CD1 TYR B 18 3.889 5.700 -20.346 1.00 0.00 C ATOM 773 CD2 TYR B 18 3.852 6.995 -22.396 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.281 5.585 -20.443 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.243 6.880 -22.493 1.00 0.00 C ATOM 776 CZ TYR B 18 5.958 6.175 -21.517 1.00 0.00 C ATOM 777 OH TYR B 18 7.330 6.061 -21.613 1.00 0.00 O ATOM 0 H TYR B 18 -0.775 6.393 -19.498 1.00 0.00 H new ATOM 0 HA TYR B 18 2.125 6.723 -19.088 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.198 5.599 -21.526 1.00 0.00 H new ATOM 0 HB3 TYR B 18 1.314 7.310 -21.888 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.366 5.244 -19.519 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.301 7.538 -23.150 1.00 0.00 H new ATOM 0 HE1 TYR B 18 5.832 5.042 -19.690 1.00 0.00 H new ATOM 0 HE2 TYR B 18 5.766 7.335 -23.321 1.00 0.00 H new ATOM 0 HH TYR B 18 7.641 6.526 -22.417 1.00 0.00 H new ATOM 787 N LYS B 19 0.576 8.777 -18.464 1.00 0.00 N ATOM 788 CA LYS B 19 0.145 10.193 -18.285 1.00 0.00 C ATOM 789 C LYS B 19 0.915 10.839 -17.130 1.00 0.00 C ATOM 790 O LYS B 19 1.210 10.205 -16.137 1.00 0.00 O ATOM 791 CB LYS B 19 -1.346 10.115 -17.959 1.00 0.00 C ATOM 792 CG LYS B 19 -2.061 11.337 -18.539 1.00 0.00 C ATOM 793 CD LYS B 19 -2.045 11.260 -20.067 1.00 0.00 C ATOM 794 CE LYS B 19 -3.472 11.056 -20.583 1.00 0.00 C ATOM 795 NZ LYS B 19 -3.427 11.473 -22.012 1.00 0.00 N ATOM 0 H LYS B 19 0.630 8.228 -17.606 1.00 0.00 H new ATOM 0 HA LYS B 19 0.337 10.798 -19.171 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.772 9.201 -18.373 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.491 10.074 -16.879 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.088 11.376 -18.177 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.570 12.251 -18.205 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -1.624 12.175 -20.483 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -1.408 10.438 -20.394 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.783 10.016 -20.485 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.186 11.656 -20.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.374 11.378 -22.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.118 12.464 -22.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.757 10.868 -22.529 1.00 0.00 H new ATOM 809 N LYS B 20 1.241 12.098 -17.252 1.00 0.00 N ATOM 810 CA LYS B 20 1.989 12.785 -16.163 1.00 0.00 C ATOM 811 C LYS B 20 2.444 14.172 -16.626 1.00 0.00 C ATOM 812 O LYS B 20 3.609 14.401 -16.881 1.00 0.00 O ATOM 813 CB LYS B 20 3.197 11.891 -15.880 1.00 0.00 C ATOM 814 CG LYS B 20 3.153 11.416 -14.427 1.00 0.00 C ATOM 815 CD LYS B 20 4.563 11.038 -13.969 1.00 0.00 C ATOM 816 CE LYS B 20 5.128 12.153 -13.084 1.00 0.00 C ATOM 817 NZ LYS B 20 6.477 11.671 -12.675 1.00 0.00 N ATOM 0 H LYS B 20 1.021 12.680 -18.060 1.00 0.00 H new ATOM 0 HA LYS B 20 1.376 12.932 -15.274 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.194 11.034 -16.554 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.120 12.440 -16.066 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.751 12.203 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS B 20 2.487 10.558 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.538 10.098 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS B 20 5.208 10.883 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS B 20 5.193 13.095 -13.629 1.00 0.00 H new ATOM 0 HE3 LYS B 20 4.492 12.330 -12.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.809 12.220 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.423 10.665 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 7.143 11.791 -13.465 1.00 0.00 H new ATOM 831 N ALA B 21 1.531 15.098 -16.739 1.00 0.00 N ATOM 832 CA ALA B 21 1.912 16.469 -17.187 1.00 0.00 C ATOM 833 C ALA B 21 0.968 17.507 -16.573 1.00 0.00 C ATOM 834 O ALA B 21 0.273 18.210 -17.281 1.00 0.00 O ATOM 835 CB ALA B 21 1.765 16.444 -18.708 1.00 0.00 C ATOM 0 H ALA B 21 0.539 14.965 -16.541 1.00 0.00 H new ATOM 0 HA ALA B 21 2.923 16.738 -16.880 1.00 0.00 H new ATOM 0 HB1 ALA B 21 2.028 17.420 -19.115 1.00 0.00 H new ATOM 0 HB2 ALA B 21 2.428 15.686 -19.125 1.00 0.00 H new ATOM 0 HB3 ALA B 21 0.734 16.208 -18.970 1.00 0.00 H new ATOM 841 N PRO B 22 0.977 17.565 -15.270 1.00 0.00 N ATOM 842 CA PRO B 22 0.111 18.525 -14.543 1.00 0.00 C ATOM 843 C PRO B 22 0.648 19.951 -14.695 1.00 0.00 C ATOM 844 O PRO B 22 0.931 20.624 -13.724 1.00 0.00 O ATOM 845 CB PRO B 22 0.202 18.060 -13.092 1.00 0.00 C ATOM 846 CG PRO B 22 1.507 17.334 -12.998 1.00 0.00 C ATOM 847 CD PRO B 22 1.787 16.749 -14.358 1.00 0.00 C ATOM 0 HA PRO B 22 -0.913 18.546 -14.915 1.00 0.00 H new ATOM 0 HB2 PRO B 22 0.170 18.905 -12.404 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -0.632 17.407 -12.834 1.00 0.00 H new ATOM 0 HG2 PRO B 22 2.305 18.013 -12.699 1.00 0.00 H new ATOM 0 HG3 PRO B 22 1.458 16.549 -12.244 1.00 0.00 H new ATOM 0 HD2 PRO B 22 2.847 16.806 -14.606 1.00 0.00 H new ATOM 0 HD3 PRO B 22 1.504 15.697 -14.406 1.00 0.00 H new ATOM 855 N THR B 23 0.790 20.415 -15.906 1.00 0.00 N ATOM 856 CA THR B 23 1.309 21.797 -16.118 1.00 0.00 C ATOM 857 C THR B 23 2.486 22.071 -15.179 1.00 0.00 C ATOM 858 O THR B 23 2.309 22.486 -14.051 1.00 0.00 O ATOM 859 CB THR B 23 0.133 22.717 -15.786 1.00 0.00 C ATOM 860 OG1 THR B 23 -1.077 21.975 -15.846 1.00 0.00 O ATOM 861 CG2 THR B 23 0.080 23.865 -16.795 1.00 0.00 C ATOM 0 H THR B 23 0.570 19.898 -16.757 1.00 0.00 H new ATOM 0 HA THR B 23 1.672 21.950 -17.134 1.00 0.00 H new ATOM 0 HB THR B 23 0.261 23.124 -14.783 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.832 22.562 -15.632 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.758 24.520 -16.557 1.00 0.00 H new ATOM 0 HG22 THR B 23 1.009 24.433 -16.749 1.00 0.00 H new ATOM 0 HG23 THR B 23 -0.048 23.461 -17.799 1.00 0.00 H new ATOM 869 N ASN B 24 3.687 21.840 -15.634 1.00 0.00 N ATOM 870 CA ASN B 24 4.875 22.087 -14.766 1.00 0.00 C ATOM 871 C ASN B 24 6.107 22.383 -15.628 1.00 0.00 C ATOM 872 O ASN B 24 6.824 21.488 -16.027 1.00 0.00 O ATOM 873 CB ASN B 24 5.068 20.789 -13.981 1.00 0.00 C ATOM 874 CG ASN B 24 4.533 20.969 -12.559 1.00 0.00 C ATOM 875 OD1 ASN B 24 3.868 20.099 -12.033 1.00 0.00 O ATOM 876 ND2 ASN B 24 4.798 22.070 -11.910 1.00 0.00 N ATOM 0 H ASN B 24 3.898 21.491 -16.569 1.00 0.00 H new ATOM 0 HA ASN B 24 4.735 22.944 -14.107 1.00 0.00 H new ATOM 0 HB2 ASN B 24 4.546 19.971 -14.477 1.00 0.00 H new ATOM 0 HB3 ASN B 24 6.124 20.522 -13.953 1.00 0.00 H new ATOM 0 HD21 ASN B 24 4.447 22.200 -10.961 1.00 0.00 H new ATOM 0 HD22 ASN B 24 5.356 22.800 -12.352 1.00 0.00 H new ATOM 883 N GLU B 25 6.355 23.631 -15.914 1.00 0.00 N ATOM 884 CA GLU B 25 7.541 23.982 -16.748 1.00 0.00 C ATOM 885 C GLU B 25 7.816 25.486 -16.671 1.00 0.00 C ATOM 886 O GLU B 25 7.220 26.273 -17.379 1.00 0.00 O ATOM 887 CB GLU B 25 7.155 23.580 -18.173 1.00 0.00 C ATOM 888 CG GLU B 25 8.377 23.004 -18.890 1.00 0.00 C ATOM 889 CD GLU B 25 9.549 23.978 -18.765 1.00 0.00 C ATOM 890 OE1 GLU B 25 9.944 24.260 -17.645 1.00 0.00 O ATOM 891 OE2 GLU B 25 10.033 24.428 -19.791 1.00 0.00 O ATOM 0 H GLU B 25 5.789 24.423 -15.607 1.00 0.00 H new ATOM 0 HA GLU B 25 8.446 23.477 -16.412 1.00 0.00 H new ATOM 0 HB2 GLU B 25 6.353 22.842 -18.149 1.00 0.00 H new ATOM 0 HB3 GLU B 25 6.776 24.446 -18.716 1.00 0.00 H new ATOM 0 HG2 GLU B 25 8.644 22.040 -18.458 1.00 0.00 H new ATOM 0 HG3 GLU B 25 8.146 22.829 -19.941 1.00 0.00 H new ATOM 898 N PHE B 26 8.714 25.890 -15.814 1.00 0.00 N ATOM 899 CA PHE B 26 9.026 27.343 -15.692 1.00 0.00 C ATOM 900 C PHE B 26 10.526 27.580 -15.887 1.00 0.00 C ATOM 901 O PHE B 26 11.333 26.690 -15.711 1.00 0.00 O ATOM 902 CB PHE B 26 8.603 27.720 -14.271 1.00 0.00 C ATOM 903 CG PHE B 26 8.920 29.176 -14.022 1.00 0.00 C ATOM 904 CD1 PHE B 26 8.066 30.172 -14.510 1.00 0.00 C ATOM 905 CD2 PHE B 26 10.068 29.528 -13.301 1.00 0.00 C ATOM 906 CE1 PHE B 26 8.359 31.521 -14.278 1.00 0.00 C ATOM 907 CE2 PHE B 26 10.362 30.878 -13.069 1.00 0.00 C ATOM 908 CZ PHE B 26 9.507 31.873 -13.558 1.00 0.00 C ATOM 0 H PHE B 26 9.244 25.278 -15.194 1.00 0.00 H new ATOM 0 HA PHE B 26 8.510 27.941 -16.443 1.00 0.00 H new ATOM 0 HB2 PHE B 26 7.536 27.541 -14.138 1.00 0.00 H new ATOM 0 HB3 PHE B 26 9.124 27.094 -13.547 1.00 0.00 H new ATOM 0 HD1 PHE B 26 7.181 29.900 -15.066 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.726 28.759 -12.924 1.00 0.00 H new ATOM 0 HE1 PHE B 26 7.700 32.290 -14.654 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.247 31.151 -12.514 1.00 0.00 H new ATOM 0 HZ PHE B 26 9.733 32.914 -13.380 1.00 0.00 H new ATOM 918 N TYR B 27 10.905 28.776 -16.248 1.00 0.00 N ATOM 919 CA TYR B 27 12.352 29.068 -16.454 1.00 0.00 C ATOM 920 C TYR B 27 12.577 30.580 -16.555 1.00 0.00 C ATOM 921 O TYR B 27 11.650 31.361 -16.482 1.00 0.00 O ATOM 922 CB TYR B 27 12.712 28.383 -17.774 1.00 0.00 C ATOM 923 CG TYR B 27 14.213 28.294 -17.902 1.00 0.00 C ATOM 924 CD1 TYR B 27 14.947 27.508 -17.006 1.00 0.00 C ATOM 925 CD2 TYR B 27 14.871 28.997 -18.918 1.00 0.00 C ATOM 926 CE1 TYR B 27 16.339 27.425 -17.125 1.00 0.00 C ATOM 927 CE2 TYR B 27 16.264 28.914 -19.038 1.00 0.00 C ATOM 928 CZ TYR B 27 16.998 28.127 -18.141 1.00 0.00 C ATOM 929 OH TYR B 27 18.370 28.045 -18.259 1.00 0.00 O ATOM 0 H TYR B 27 10.276 29.563 -16.409 1.00 0.00 H new ATOM 0 HA TYR B 27 12.967 28.709 -15.628 1.00 0.00 H new ATOM 0 HB2 TYR B 27 12.274 27.386 -17.810 1.00 0.00 H new ATOM 0 HB3 TYR B 27 12.298 28.944 -18.612 1.00 0.00 H new ATOM 0 HD1 TYR B 27 14.439 26.965 -16.223 1.00 0.00 H new ATOM 0 HD2 TYR B 27 14.305 29.603 -19.609 1.00 0.00 H new ATOM 0 HE1 TYR B 27 16.905 26.819 -16.433 1.00 0.00 H new ATOM 0 HE2 TYR B 27 16.772 29.456 -19.822 1.00 0.00 H new ATOM 0 HH TYR B 27 18.666 28.592 -19.016 1.00 0.00 H new ATOM 939 N ALA B 28 13.804 30.996 -16.721 1.00 0.00 N ATOM 940 CA ALA B 28 14.086 32.457 -16.826 1.00 0.00 C ATOM 941 C ALA B 28 13.842 32.942 -18.258 1.00 0.00 C ATOM 942 O ALA B 28 12.758 32.706 -18.766 1.00 0.00 O ATOM 943 CB ALA B 28 15.561 32.602 -16.455 1.00 0.00 C ATOM 944 OXT ALA B 28 14.744 33.539 -18.822 1.00 0.00 O ATOM 0 H ALA B 28 14.621 30.389 -16.788 1.00 0.00 H new ATOM 0 HA ALA B 28 13.442 33.050 -16.177 1.00 0.00 H new ATOM 0 HB1 ALA B 28 15.848 33.652 -16.508 1.00 0.00 H new ATOM 0 HB2 ALA B 28 15.719 32.234 -15.441 1.00 0.00 H new ATOM 0 HB3 ALA B 28 16.170 32.024 -17.150 1.00 0.00 H new TER 950 ALA B 28