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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.189) 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 -21:sc= 0.337 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+ -161:sc= 0 (180deg=-0.39) USER MOD Single : A 23 THR OG1 : rot 110:sc= 0.682! USER MOD Single : A 24 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.228) 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 -17:sc= 0.521 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 -63:sc= 0.00115 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.451) USER MOD Single : B 23 THR OG1 : rot 138:sc= 1.14 USER MOD Single : B 24 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.4!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -11.849 -14.101 -33.108 1.00 0.00 N ATOM 2 CA ARG A 1 -12.872 -15.143 -33.413 1.00 0.00 C ATOM 3 C ARG A 1 -12.340 -16.530 -33.041 1.00 0.00 C ATOM 4 O ARG A 1 -12.816 -17.161 -32.117 1.00 0.00 O ATOM 5 CB ARG A 1 -13.100 -15.044 -34.922 1.00 0.00 C ATOM 6 CG ARG A 1 -14.399 -14.284 -35.195 1.00 0.00 C ATOM 7 CD ARG A 1 -14.473 -13.911 -36.676 1.00 0.00 C ATOM 8 NE ARG A 1 -15.928 -13.825 -36.980 1.00 0.00 N ATOM 9 CZ ARG A 1 -16.429 -14.514 -37.967 1.00 0.00 C ATOM 10 NH1 ARG A 1 -15.822 -14.536 -39.123 1.00 0.00 N ATOM 11 NH2 ARG A 1 -17.537 -15.182 -37.800 1.00 0.00 N ATOM 0 H1 ARG A 1 -12.221 -13.164 -33.364 1.00 0.00 H new ATOM 0 H2 ARG A 1 -11.627 -14.119 -32.092 1.00 0.00 H new ATOM 0 H3 ARG A 1 -10.985 -14.292 -33.655 1.00 0.00 H new ATOM 0 HA ARG A 1 -13.794 -14.994 -32.851 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -12.261 -14.532 -35.394 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -13.152 -16.041 -35.359 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -15.256 -14.899 -34.921 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -14.442 -13.385 -34.580 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -13.973 -12.962 -36.869 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -13.984 -14.662 -37.297 1.00 0.00 H new ATOM 0 HE ARG A 1 -16.533 -13.227 -36.416 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -14.956 -14.014 -39.254 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -16.214 -15.075 -39.895 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -18.011 -15.165 -36.897 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -17.929 -15.721 -38.572 1.00 0.00 H new ATOM 27 N MET A 2 -11.357 -17.008 -33.753 1.00 0.00 N ATOM 28 CA MET A 2 -10.796 -18.353 -33.440 1.00 0.00 C ATOM 29 C MET A 2 -10.353 -18.415 -31.977 1.00 0.00 C ATOM 30 O MET A 2 -10.202 -17.404 -31.320 1.00 0.00 O ATOM 31 CB MET A 2 -9.592 -18.506 -34.372 1.00 0.00 C ATOM 32 CG MET A 2 -9.999 -19.315 -35.605 1.00 0.00 C ATOM 33 SD MET A 2 -10.637 -18.197 -36.877 1.00 0.00 S ATOM 34 CE MET A 2 -10.242 -19.233 -38.307 1.00 0.00 C ATOM 0 H MET A 2 -10.918 -16.526 -34.537 1.00 0.00 H new ATOM 0 HA MET A 2 -11.527 -19.149 -33.583 1.00 0.00 H new ATOM 0 HB2 MET A 2 -9.225 -17.525 -34.673 1.00 0.00 H new ATOM 0 HB3 MET A 2 -8.776 -19.005 -33.850 1.00 0.00 H new ATOM 0 HG2 MET A 2 -9.142 -19.869 -35.989 1.00 0.00 H new ATOM 0 HG3 MET A 2 -10.759 -20.049 -35.337 1.00 0.00 H new ATOM 0 HE1 MET A 2 -10.556 -18.728 -39.220 1.00 0.00 H new ATOM 0 HE2 MET A 2 -9.167 -19.411 -38.342 1.00 0.00 H new ATOM 0 HE3 MET A 2 -10.765 -20.186 -38.222 1.00 0.00 H new ATOM 44 N LYS A 3 -10.144 -19.596 -31.460 1.00 0.00 N ATOM 45 CA LYS A 3 -9.710 -19.720 -30.039 1.00 0.00 C ATOM 46 C LYS A 3 -8.749 -20.902 -29.882 1.00 0.00 C ATOM 47 O LYS A 3 -8.700 -21.789 -30.711 1.00 0.00 O ATOM 48 CB LYS A 3 -10.998 -19.969 -29.253 1.00 0.00 C ATOM 49 CG LYS A 3 -11.125 -18.928 -28.139 1.00 0.00 C ATOM 50 CD LYS A 3 -11.972 -19.500 -26.999 1.00 0.00 C ATOM 51 CE LYS A 3 -12.936 -18.425 -26.492 1.00 0.00 C ATOM 52 NZ LYS A 3 -12.066 -17.403 -25.846 1.00 0.00 N ATOM 0 H LYS A 3 -10.255 -20.479 -31.959 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.183 -18.833 -29.688 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.859 -19.912 -29.918 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.989 -20.973 -28.828 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.137 -18.653 -27.770 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.585 -18.019 -28.527 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.530 -20.369 -27.347 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.328 -19.838 -26.187 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.512 -17.993 -27.311 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.652 -18.840 -25.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.643 -16.793 -25.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.338 -17.878 -25.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.609 -16.823 -26.578 1.00 0.00 H new ATOM 66 N LYS A 4 -7.986 -20.921 -28.824 1.00 0.00 N ATOM 67 CA LYS A 4 -7.030 -22.046 -28.614 1.00 0.00 C ATOM 68 C LYS A 4 -6.939 -22.391 -27.125 1.00 0.00 C ATOM 69 O LYS A 4 -7.579 -23.309 -26.651 1.00 0.00 O ATOM 70 CB LYS A 4 -5.687 -21.525 -29.126 1.00 0.00 C ATOM 71 CG LYS A 4 -5.531 -21.883 -30.606 1.00 0.00 C ATOM 72 CD LYS A 4 -4.100 -22.356 -30.869 1.00 0.00 C ATOM 73 CE LYS A 4 -4.130 -23.610 -31.747 1.00 0.00 C ATOM 74 NZ LYS A 4 -3.243 -24.585 -31.054 1.00 0.00 N ATOM 0 H LYS A 4 -7.983 -20.207 -28.096 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.340 -22.954 -29.132 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.630 -20.444 -28.994 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.872 -21.960 -28.548 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.240 -22.665 -30.878 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.759 -21.016 -31.227 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.530 -21.568 -31.361 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.598 -22.571 -29.926 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.143 -23.999 -31.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.771 -23.396 -32.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.212 -25.472 -31.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.284 -24.190 -30.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.613 -24.775 -30.101 1.00 0.00 H new ATOM 88 N LYS A 5 -6.149 -21.663 -26.385 1.00 0.00 N ATOM 89 CA LYS A 5 -6.019 -21.949 -24.928 1.00 0.00 C ATOM 90 C LYS A 5 -7.372 -21.782 -24.235 1.00 0.00 C ATOM 91 O LYS A 5 -7.681 -22.467 -23.280 1.00 0.00 O ATOM 92 CB LYS A 5 -5.017 -20.915 -24.410 1.00 0.00 C ATOM 93 CG LYS A 5 -4.395 -21.416 -23.107 1.00 0.00 C ATOM 94 CD LYS A 5 -3.471 -20.338 -22.537 1.00 0.00 C ATOM 95 CE LYS A 5 -2.432 -20.988 -21.619 1.00 0.00 C ATOM 96 NZ LYS A 5 -1.358 -19.967 -21.475 1.00 0.00 N ATOM 0 H LYS A 5 -5.588 -20.882 -26.726 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.688 -22.969 -24.734 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.239 -20.742 -25.154 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.516 -19.961 -24.244 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.177 -21.658 -22.387 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.834 -22.333 -23.288 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.973 -19.805 -23.347 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.053 -19.602 -21.982 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.865 -21.246 -20.652 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.045 -21.911 -22.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.607 -20.338 -20.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.961 -19.747 -22.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.755 -19.102 -21.055 1.00 0.00 H new ATOM 110 N ASP A 6 -8.184 -20.875 -24.709 1.00 0.00 N ATOM 111 CA ASP A 6 -9.518 -20.666 -24.077 1.00 0.00 C ATOM 112 C ASP A 6 -9.357 -20.375 -22.584 1.00 0.00 C ATOM 113 O ASP A 6 -9.750 -21.158 -21.742 1.00 0.00 O ATOM 114 CB ASP A 6 -10.268 -21.981 -24.290 1.00 0.00 C ATOM 115 CG ASP A 6 -11.641 -21.900 -23.620 1.00 0.00 C ATOM 116 OD1 ASP A 6 -12.446 -21.094 -24.059 1.00 0.00 O ATOM 117 OD2 ASP A 6 -11.865 -22.646 -22.681 1.00 0.00 O ATOM 0 H ASP A 6 -7.981 -20.271 -25.505 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.051 -19.819 -24.509 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.383 -22.178 -25.356 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.696 -22.810 -23.873 1.00 0.00 H new ATOM 122 N GLU A 7 -8.782 -19.252 -22.247 1.00 0.00 N ATOM 123 CA GLU A 7 -8.598 -18.911 -20.808 1.00 0.00 C ATOM 124 C GLU A 7 -9.293 -17.587 -20.484 1.00 0.00 C ATOM 125 O GLU A 7 -9.417 -16.718 -21.325 1.00 0.00 O ATOM 126 CB GLU A 7 -7.087 -18.784 -20.619 1.00 0.00 C ATOM 127 CG GLU A 7 -6.720 -19.148 -19.179 1.00 0.00 C ATOM 128 CD GLU A 7 -5.203 -19.069 -19.001 1.00 0.00 C ATOM 129 OE1 GLU A 7 -4.588 -18.265 -19.682 1.00 0.00 O ATOM 130 OE2 GLU A 7 -4.682 -19.813 -18.188 1.00 0.00 O ATOM 0 H GLU A 7 -8.432 -18.557 -22.906 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.028 -19.664 -20.148 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.566 -19.441 -21.315 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.766 -17.766 -20.841 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.214 -18.469 -18.484 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.072 -20.153 -18.946 1.00 0.00 H new ATOM 137 N GLY A 8 -9.744 -17.425 -19.270 1.00 0.00 N ATOM 138 CA GLY A 8 -10.428 -16.156 -18.892 1.00 0.00 C ATOM 139 C GLY A 8 -9.483 -15.301 -18.046 1.00 0.00 C ATOM 140 O GLY A 8 -9.905 -14.577 -17.166 1.00 0.00 O ATOM 0 H GLY A 8 -9.668 -18.116 -18.524 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.726 -15.610 -19.787 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.338 -16.373 -18.333 1.00 0.00 H new ATOM 144 N SER A 9 -8.206 -15.379 -18.305 1.00 0.00 N ATOM 145 CA SER A 9 -7.234 -14.571 -17.515 1.00 0.00 C ATOM 146 C SER A 9 -5.887 -14.511 -18.239 1.00 0.00 C ATOM 147 O SER A 9 -5.626 -15.275 -19.149 1.00 0.00 O ATOM 148 CB SER A 9 -7.097 -15.308 -16.183 1.00 0.00 C ATOM 149 OG SER A 9 -8.345 -15.284 -15.503 1.00 0.00 O ATOM 0 H SER A 9 -7.794 -15.967 -19.029 1.00 0.00 H new ATOM 0 HA SER A 9 -7.566 -13.542 -17.378 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.783 -16.338 -16.354 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.327 -14.838 -15.571 1.00 0.00 H new ATOM 0 HG SER A 9 -8.890 -14.545 -15.845 1.00 0.00 H new ATOM 155 N TYR A 10 -5.027 -13.610 -17.846 1.00 0.00 N ATOM 156 CA TYR A 10 -3.700 -13.504 -18.517 1.00 0.00 C ATOM 157 C TYR A 10 -2.589 -13.336 -17.477 1.00 0.00 C ATOM 158 O TYR A 10 -1.995 -14.296 -17.029 1.00 0.00 O ATOM 159 CB TYR A 10 -3.801 -12.262 -19.402 1.00 0.00 C ATOM 160 CG TYR A 10 -4.390 -12.642 -20.739 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.690 -13.506 -21.592 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.636 -12.132 -21.128 1.00 0.00 C ATOM 163 CE1 TYR A 10 -4.236 -13.860 -22.833 1.00 0.00 C ATOM 164 CE2 TYR A 10 -6.182 -12.487 -22.369 1.00 0.00 C ATOM 165 CZ TYR A 10 -5.483 -13.351 -23.221 1.00 0.00 C ATOM 166 OH TYR A 10 -6.020 -13.700 -24.443 1.00 0.00 O ATOM 0 H TYR A 10 -5.186 -12.944 -17.090 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.458 -14.397 -19.094 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.424 -11.508 -18.920 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.814 -11.820 -19.540 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.730 -13.899 -21.293 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.175 -11.465 -20.471 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.696 -14.525 -23.491 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.142 -12.094 -22.668 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.889 -13.262 -24.556 1.00 0.00 H new ATOM 176 N ASP A 11 -2.302 -12.122 -17.090 1.00 0.00 N ATOM 177 CA ASP A 11 -1.227 -11.899 -16.080 1.00 0.00 C ATOM 178 C ASP A 11 -1.245 -10.446 -15.594 1.00 0.00 C ATOM 179 O ASP A 11 -1.717 -9.558 -16.275 1.00 0.00 O ATOM 180 CB ASP A 11 0.078 -12.200 -16.819 1.00 0.00 C ATOM 181 CG ASP A 11 1.229 -12.279 -15.813 1.00 0.00 C ATOM 182 OD1 ASP A 11 0.967 -12.128 -14.630 1.00 0.00 O ATOM 183 OD2 ASP A 11 2.351 -12.489 -16.243 1.00 0.00 O ATOM 0 H ASP A 11 -2.764 -11.278 -17.428 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.353 -12.528 -15.199 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.009 -13.141 -17.363 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.278 -11.423 -17.556 1.00 0.00 H new ATOM 188 N LEU A 12 -0.736 -10.202 -14.417 1.00 0.00 N ATOM 189 CA LEU A 12 -0.723 -8.813 -13.881 1.00 0.00 C ATOM 190 C LEU A 12 0.339 -7.974 -14.598 1.00 0.00 C ATOM 191 O LEU A 12 1.273 -7.487 -13.992 1.00 0.00 O ATOM 192 CB LEU A 12 -0.370 -8.967 -12.401 1.00 0.00 C ATOM 193 CG LEU A 12 -1.245 -8.031 -11.566 1.00 0.00 C ATOM 194 CD1 LEU A 12 -2.694 -8.519 -11.602 1.00 0.00 C ATOM 195 CD2 LEU A 12 -0.747 -8.024 -10.119 1.00 0.00 C ATOM 0 H LEU A 12 -0.328 -10.907 -13.803 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.677 -8.307 -14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.521 -10.000 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.683 -8.736 -12.242 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.191 -7.022 -11.975 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.318 -7.852 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.050 -8.526 -12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.748 -9.528 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.370 -7.357 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.802 -9.033 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.286 -7.677 -10.091 1.00 0.00 H new ATOM 207 N GLY A 13 0.205 -7.800 -15.884 1.00 0.00 N ATOM 208 CA GLY A 13 1.208 -6.991 -16.633 1.00 0.00 C ATOM 209 C GLY A 13 0.804 -5.516 -16.605 1.00 0.00 C ATOM 210 O GLY A 13 1.622 -4.635 -16.779 1.00 0.00 O ATOM 0 H GLY A 13 -0.554 -8.182 -16.448 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.196 -7.116 -16.189 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.275 -7.340 -17.663 1.00 0.00 H new ATOM 214 N LYS A 14 -0.453 -5.239 -16.390 1.00 0.00 N ATOM 215 CA LYS A 14 -0.909 -3.819 -16.354 1.00 0.00 C ATOM 216 C LYS A 14 -0.423 -3.137 -15.073 1.00 0.00 C ATOM 217 O LYS A 14 -0.050 -3.785 -14.114 1.00 0.00 O ATOM 218 CB LYS A 14 -2.435 -3.890 -16.377 1.00 0.00 C ATOM 219 CG LYS A 14 -2.968 -3.032 -17.525 1.00 0.00 C ATOM 220 CD LYS A 14 -2.456 -3.584 -18.856 1.00 0.00 C ATOM 221 CE LYS A 14 -2.031 -2.425 -19.760 1.00 0.00 C ATOM 222 NZ LYS A 14 -0.668 -2.791 -20.237 1.00 0.00 N ATOM 0 H LYS A 14 -1.184 -5.934 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.516 -3.240 -17.190 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.760 -4.923 -16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.840 -3.539 -15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.058 -3.030 -17.515 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.646 -1.998 -17.400 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.613 -4.253 -18.684 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.235 -4.171 -19.342 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.721 -2.301 -20.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.018 -1.482 -19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.307 -2.044 -20.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.031 -2.896 -19.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.713 -3.689 -20.759 1.00 0.00 H new ATOM 236 N LYS A 15 -0.424 -1.831 -15.048 1.00 0.00 N ATOM 237 CA LYS A 15 0.039 -1.107 -13.829 1.00 0.00 C ATOM 238 C LYS A 15 -0.585 0.291 -13.772 1.00 0.00 C ATOM 239 O LYS A 15 -0.762 0.933 -14.789 1.00 0.00 O ATOM 240 CB LYS A 15 1.556 -1.006 -13.979 1.00 0.00 C ATOM 241 CG LYS A 15 2.222 -2.198 -13.288 1.00 0.00 C ATOM 242 CD LYS A 15 3.711 -1.909 -13.093 1.00 0.00 C ATOM 243 CE LYS A 15 4.181 -2.518 -11.770 1.00 0.00 C ATOM 244 NZ LYS A 15 4.597 -1.354 -10.939 1.00 0.00 N ATOM 0 H LYS A 15 -0.725 -1.235 -15.819 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.248 -1.622 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.826 -0.987 -15.035 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.913 -0.074 -13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.748 -2.385 -12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.091 -3.099 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.284 -2.325 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.886 -0.833 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.382 -3.082 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.010 -3.209 -11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.933 -1.690 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.363 -0.840 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.786 -0.717 -10.803 1.00 0.00 H new ATOM 258 N PRO A 16 -0.890 0.714 -12.577 1.00 0.00 N ATOM 259 CA PRO A 16 -1.495 2.054 -12.372 1.00 0.00 C ATOM 260 C PRO A 16 -0.448 3.149 -12.592 1.00 0.00 C ATOM 261 O PRO A 16 0.741 2.915 -12.501 1.00 0.00 O ATOM 262 CB PRO A 16 -1.948 2.021 -10.916 1.00 0.00 C ATOM 263 CG PRO A 16 -1.071 1.002 -10.260 1.00 0.00 C ATOM 264 CD PRO A 16 -0.701 -0.007 -11.314 1.00 0.00 C ATOM 0 HA PRO A 16 -2.311 2.269 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.837 2.998 -10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.000 1.746 -10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.179 1.471 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.592 0.521 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.328 -0.346 -11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.336 -0.891 -11.260 1.00 0.00 H new ATOM 272 N ILE A 17 -0.883 4.344 -12.874 1.00 0.00 N ATOM 273 CA ILE A 17 0.069 5.459 -13.094 1.00 0.00 C ATOM 274 C ILE A 17 -0.625 6.792 -12.827 1.00 0.00 C ATOM 275 O ILE A 17 -0.921 7.531 -13.734 1.00 0.00 O ATOM 276 CB ILE A 17 0.492 5.355 -14.561 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.743 5.179 -15.446 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.423 4.155 -14.743 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.367 5.422 -16.908 1.00 0.00 C ATOM 0 H ILE A 17 -1.868 4.595 -12.962 1.00 0.00 H new ATOM 0 HA ILE A 17 0.930 5.403 -12.427 1.00 0.00 H new ATOM 0 HB ILE A 17 1.014 6.268 -14.848 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.148 4.174 -15.327 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.524 5.876 -15.140 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.723 4.083 -15.788 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.308 4.283 -14.119 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.902 3.243 -14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.249 5.296 -17.536 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.017 6.436 -17.021 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.399 4.708 -17.210 1.00 0.00 H new ATOM 291 N TYR A 18 -0.888 7.102 -11.587 1.00 0.00 N ATOM 292 CA TYR A 18 -1.568 8.391 -11.268 1.00 0.00 C ATOM 293 C TYR A 18 -0.532 9.502 -11.067 1.00 0.00 C ATOM 294 O TYR A 18 -0.042 9.717 -9.976 1.00 0.00 O ATOM 295 CB TYR A 18 -2.331 8.126 -9.969 1.00 0.00 C ATOM 296 CG TYR A 18 -3.445 9.135 -9.819 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.515 9.136 -10.725 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.412 10.069 -8.776 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.548 10.071 -10.588 1.00 0.00 C ATOM 300 CE2 TYR A 18 -4.447 11.004 -8.638 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.515 11.005 -9.544 1.00 0.00 C ATOM 302 OH TYR A 18 -6.534 11.926 -9.409 1.00 0.00 O ATOM 0 H TYR A 18 -0.662 6.519 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.230 8.718 -12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.741 7.116 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.653 8.189 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.542 8.415 -11.529 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.588 10.069 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.371 10.072 -11.287 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.421 11.724 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.357 12.499 -8.634 1.00 0.00 H new ATOM 312 N LYS A 19 -0.196 10.209 -12.111 1.00 0.00 N ATOM 313 CA LYS A 19 0.807 11.306 -11.977 1.00 0.00 C ATOM 314 C LYS A 19 0.588 12.359 -13.068 1.00 0.00 C ATOM 315 O LYS A 19 1.465 13.140 -13.377 1.00 0.00 O ATOM 316 CB LYS A 19 2.165 10.625 -12.149 1.00 0.00 C ATOM 317 CG LYS A 19 2.826 10.456 -10.780 1.00 0.00 C ATOM 318 CD LYS A 19 4.182 9.767 -10.946 1.00 0.00 C ATOM 319 CE LYS A 19 4.799 9.518 -9.568 1.00 0.00 C ATOM 320 NZ LYS A 19 6.132 10.182 -9.618 1.00 0.00 N ATOM 0 H LYS A 19 -0.571 10.076 -13.050 1.00 0.00 H new ATOM 0 HA LYS A 19 0.730 11.822 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.039 9.653 -12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.803 11.221 -12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.957 11.429 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.185 9.866 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.060 8.823 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.846 10.388 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.179 9.937 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.896 8.451 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.618 10.055 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.703 9.758 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.007 11.197 -9.805 1.00 0.00 H new ATOM 334 N LYS A 20 -0.578 12.383 -13.652 1.00 0.00 N ATOM 335 CA LYS A 20 -0.861 13.382 -14.723 1.00 0.00 C ATOM 336 C LYS A 20 -0.813 14.805 -14.154 1.00 0.00 C ATOM 337 O LYS A 20 -0.831 15.007 -12.956 1.00 0.00 O ATOM 338 CB LYS A 20 -2.273 13.047 -15.208 1.00 0.00 C ATOM 339 CG LYS A 20 -2.421 13.455 -16.674 1.00 0.00 C ATOM 340 CD LYS A 20 -3.463 14.570 -16.791 1.00 0.00 C ATOM 341 CE LYS A 20 -4.396 14.276 -17.967 1.00 0.00 C ATOM 342 NZ LYS A 20 -3.521 14.324 -19.171 1.00 0.00 N ATOM 0 H LYS A 20 -1.350 11.753 -13.434 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.128 13.341 -15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.463 11.980 -15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.011 13.568 -14.598 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.463 13.796 -17.066 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.723 12.596 -17.273 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.037 14.644 -15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.969 15.530 -16.937 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.870 13.300 -17.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.196 15.013 -18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.106 14.455 -20.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.854 15.117 -19.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.990 13.433 -19.250 1.00 0.00 H new ATOM 356 N ALA A 21 -0.755 15.791 -15.009 1.00 0.00 N ATOM 357 CA ALA A 21 -0.708 17.202 -14.524 1.00 0.00 C ATOM 358 C ALA A 21 -1.206 18.148 -15.621 1.00 0.00 C ATOM 359 O ALA A 21 -0.422 18.776 -16.305 1.00 0.00 O ATOM 360 CB ALA A 21 0.766 17.467 -14.215 1.00 0.00 C ATOM 0 H ALA A 21 -0.738 15.681 -16.023 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.340 17.363 -13.651 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.884 18.488 -13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.109 16.768 -13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.357 17.334 -15.121 1.00 0.00 H new ATOM 366 N PRO A 22 -2.503 18.212 -15.753 1.00 0.00 N ATOM 367 CA PRO A 22 -3.128 19.082 -16.779 1.00 0.00 C ATOM 368 C PRO A 22 -3.034 20.555 -16.373 1.00 0.00 C ATOM 369 O PRO A 22 -3.368 21.440 -17.133 1.00 0.00 O ATOM 370 CB PRO A 22 -4.582 18.619 -16.804 1.00 0.00 C ATOM 371 CG PRO A 22 -4.821 18.019 -15.454 1.00 0.00 C ATOM 372 CD PRO A 22 -3.501 17.483 -14.962 1.00 0.00 C ATOM 0 HA PRO A 22 -2.642 19.007 -17.752 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.259 19.453 -16.991 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.750 17.889 -17.596 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.213 18.767 -14.765 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.562 17.221 -15.514 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.371 17.661 -13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.425 16.407 -15.117 1.00 0.00 H new ATOM 380 N THR A 23 -2.581 20.823 -15.180 1.00 0.00 N ATOM 381 CA THR A 23 -2.468 22.240 -14.728 1.00 0.00 C ATOM 382 C THR A 23 -1.112 22.477 -14.062 1.00 0.00 C ATOM 383 O THR A 23 -0.632 21.661 -13.300 1.00 0.00 O ATOM 384 CB THR A 23 -3.602 22.426 -13.718 1.00 0.00 C ATOM 385 OG1 THR A 23 -3.847 21.196 -13.050 1.00 0.00 O ATOM 386 CG2 THR A 23 -4.869 22.874 -14.447 1.00 0.00 C ATOM 0 H THR A 23 -2.284 20.124 -14.499 1.00 0.00 H new ATOM 0 HA THR A 23 -2.541 22.944 -15.557 1.00 0.00 H new ATOM 0 HB THR A 23 -3.318 23.185 -12.989 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.551 21.265 -12.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.676 23.006 -13.726 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.680 23.818 -14.958 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.155 22.117 -15.178 1.00 0.00 H new ATOM 394 N ASN A 24 -0.488 23.588 -14.344 1.00 0.00 N ATOM 395 CA ASN A 24 0.837 23.874 -13.726 1.00 0.00 C ATOM 396 C ASN A 24 1.120 25.380 -13.746 1.00 0.00 C ATOM 397 O ASN A 24 1.507 25.961 -12.751 1.00 0.00 O ATOM 398 CB ASN A 24 1.845 23.128 -14.601 1.00 0.00 C ATOM 399 CG ASN A 24 3.126 22.876 -13.805 1.00 0.00 C ATOM 400 OD1 ASN A 24 3.636 23.767 -13.154 1.00 0.00 O ATOM 401 ND2 ASN A 24 3.672 21.691 -13.829 1.00 0.00 N ATOM 0 H ASN A 24 -0.838 24.309 -14.975 1.00 0.00 H new ATOM 0 HA ASN A 24 0.884 23.558 -12.684 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.421 22.182 -14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.068 23.711 -15.494 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.527 21.512 -13.302 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.244 20.943 -14.375 1.00 0.00 H new ATOM 408 N GLU A 25 0.934 26.015 -14.871 1.00 0.00 N ATOM 409 CA GLU A 25 1.196 27.481 -14.949 1.00 0.00 C ATOM 410 C GLU A 25 -0.071 28.227 -15.375 1.00 0.00 C ATOM 411 O GLU A 25 -0.699 27.894 -16.360 1.00 0.00 O ATOM 412 CB GLU A 25 2.287 27.629 -16.010 1.00 0.00 C ATOM 413 CG GLU A 25 3.289 28.696 -15.566 1.00 0.00 C ATOM 414 CD GLU A 25 4.683 28.334 -16.081 1.00 0.00 C ATOM 415 OE1 GLU A 25 4.980 27.153 -16.150 1.00 0.00 O ATOM 416 OE2 GLU A 25 5.431 29.244 -16.400 1.00 0.00 O ATOM 0 H GLU A 25 0.613 25.584 -15.738 1.00 0.00 H new ATOM 0 HA GLU A 25 1.499 27.898 -13.988 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.796 26.677 -16.159 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.844 27.907 -16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.991 29.672 -15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.299 28.770 -14.479 1.00 0.00 H new ATOM 423 N PHE A 26 -0.450 29.237 -14.640 1.00 0.00 N ATOM 424 CA PHE A 26 -1.676 30.007 -15.001 1.00 0.00 C ATOM 425 C PHE A 26 -1.290 31.348 -15.635 1.00 0.00 C ATOM 426 O PHE A 26 -0.839 32.254 -14.964 1.00 0.00 O ATOM 427 CB PHE A 26 -2.407 30.232 -13.677 1.00 0.00 C ATOM 428 CG PHE A 26 -3.898 30.171 -13.907 1.00 0.00 C ATOM 429 CD1 PHE A 26 -4.551 31.229 -14.551 1.00 0.00 C ATOM 430 CD2 PHE A 26 -4.628 29.055 -13.477 1.00 0.00 C ATOM 431 CE1 PHE A 26 -5.934 31.173 -14.764 1.00 0.00 C ATOM 432 CE2 PHE A 26 -6.011 28.997 -13.690 1.00 0.00 C ATOM 433 CZ PHE A 26 -6.664 30.057 -14.334 1.00 0.00 C ATOM 0 H PHE A 26 0.036 29.563 -13.805 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.297 29.479 -15.725 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.109 29.475 -12.952 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.132 31.200 -13.258 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.988 32.089 -14.884 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.124 28.239 -12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.438 31.990 -15.260 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.574 28.137 -13.359 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.730 30.013 -14.499 1.00 0.00 H new ATOM 443 N TYR A 27 -1.460 31.479 -16.923 1.00 0.00 N ATOM 444 CA TYR A 27 -1.101 32.760 -17.596 1.00 0.00 C ATOM 445 C TYR A 27 -2.181 33.149 -18.608 1.00 0.00 C ATOM 446 O TYR A 27 -2.505 32.395 -19.505 1.00 0.00 O ATOM 447 CB TYR A 27 0.224 32.477 -18.305 1.00 0.00 C ATOM 448 CG TYR A 27 1.207 33.580 -17.993 1.00 0.00 C ATOM 449 CD1 TYR A 27 1.174 34.775 -18.725 1.00 0.00 C ATOM 450 CD2 TYR A 27 2.151 33.410 -16.973 1.00 0.00 C ATOM 451 CE1 TYR A 27 2.085 35.799 -18.436 1.00 0.00 C ATOM 452 CE2 TYR A 27 3.063 34.433 -16.683 1.00 0.00 C ATOM 453 CZ TYR A 27 3.030 35.628 -17.415 1.00 0.00 C ATOM 454 OH TYR A 27 3.927 36.638 -17.129 1.00 0.00 O ATOM 0 H TYR A 27 -1.832 30.755 -17.538 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.017 33.587 -16.891 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.624 31.516 -17.981 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.066 32.410 -19.381 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.446 34.906 -19.512 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.176 32.489 -16.409 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.059 36.720 -19.000 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.791 34.301 -15.896 1.00 0.00 H new ATOM 0 HH TYR A 27 4.512 36.358 -16.394 1.00 0.00 H new ATOM 464 N ALA A 28 -2.741 34.320 -18.473 1.00 0.00 N ATOM 465 CA ALA A 28 -3.799 34.757 -19.429 1.00 0.00 C ATOM 466 C ALA A 28 -3.164 35.420 -20.654 1.00 0.00 C ATOM 467 O ALA A 28 -2.112 36.017 -20.502 1.00 0.00 O ATOM 468 CB ALA A 28 -4.643 35.767 -18.650 1.00 0.00 C ATOM 469 OXT ALA A 28 -3.743 35.319 -21.723 1.00 0.00 O ATOM 0 H ALA A 28 -2.512 34.993 -17.742 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.396 33.922 -19.794 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.447 36.137 -19.287 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.070 35.284 -17.771 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.015 36.601 -18.336 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 5.477 -17.965 1.969 1.00 0.00 N ATOM 477 CA ARG B 1 6.432 -19.104 2.096 1.00 0.00 C ATOM 478 C ARG B 1 5.845 -20.361 1.447 1.00 0.00 C ATOM 479 O ARG B 1 6.324 -20.830 0.435 1.00 0.00 O ATOM 480 CB ARG B 1 6.605 -19.309 3.602 1.00 0.00 C ATOM 481 CG ARG B 1 7.931 -18.692 4.053 1.00 0.00 C ATOM 482 CD ARG B 1 7.964 -18.616 5.581 1.00 0.00 C ATOM 483 NE ARG B 1 9.408 -18.675 5.938 1.00 0.00 N ATOM 484 CZ ARG B 1 9.833 -19.570 6.787 1.00 0.00 C ATOM 485 NH1 ARG B 1 9.183 -19.777 7.899 1.00 0.00 N ATOM 486 NH2 ARG B 1 10.911 -20.258 6.525 1.00 0.00 N ATOM 0 H1 ARG B 1 5.886 -17.118 2.413 1.00 0.00 H new ATOM 0 H2 ARG B 1 5.295 -17.775 0.963 1.00 0.00 H new ATOM 0 H3 ARG B 1 4.583 -18.207 2.443 1.00 0.00 H new ATOM 0 HA ARG B 1 7.382 -18.905 1.600 1.00 0.00 H new ATOM 0 HB2 ARG B 1 5.776 -18.849 4.140 1.00 0.00 H new ATOM 0 HB3 ARG B 1 6.587 -20.373 3.839 1.00 0.00 H new ATOM 0 HG2 ARG B 1 8.766 -19.292 3.690 1.00 0.00 H new ATOM 0 HG3 ARG B 1 8.045 -17.696 3.626 1.00 0.00 H new ATOM 0 HD2 ARG B 1 7.506 -17.695 5.940 1.00 0.00 H new ATOM 0 HD3 ARG B 1 7.412 -19.442 6.029 1.00 0.00 H new ATOM 0 HE ARG B 1 10.065 -18.016 5.519 1.00 0.00 H new ATOM 0 HH11 ARG B 1 8.341 -19.239 8.106 1.00 0.00 H new ATOM 0 HH12 ARG B 1 9.516 -20.477 8.562 1.00 0.00 H new ATOM 0 HH21 ARG B 1 11.421 -20.096 5.657 1.00 0.00 H new ATOM 0 HH22 ARG B 1 11.243 -20.958 7.189 1.00 0.00 H new ATOM 502 N MET B 2 4.811 -20.910 2.024 1.00 0.00 N ATOM 503 CA MET B 2 4.195 -22.136 1.440 1.00 0.00 C ATOM 504 C MET B 2 3.808 -21.889 -0.021 1.00 0.00 C ATOM 505 O MET B 2 3.735 -20.764 -0.473 1.00 0.00 O ATOM 506 CB MET B 2 2.949 -22.395 2.288 1.00 0.00 C ATOM 507 CG MET B 2 3.263 -23.449 3.352 1.00 0.00 C ATOM 508 SD MET B 2 3.905 -22.636 4.836 1.00 0.00 S ATOM 509 CE MET B 2 3.404 -23.901 6.028 1.00 0.00 C ATOM 0 H MET B 2 4.366 -20.563 2.874 1.00 0.00 H new ATOM 0 HA MET B 2 4.878 -22.986 1.448 1.00 0.00 H new ATOM 0 HB2 MET B 2 2.621 -21.470 2.763 1.00 0.00 H new ATOM 0 HB3 MET B 2 2.130 -22.736 1.655 1.00 0.00 H new ATOM 0 HG2 MET B 2 2.364 -24.015 3.595 1.00 0.00 H new ATOM 0 HG3 MET B 2 3.994 -24.161 2.969 1.00 0.00 H new ATOM 0 HE1 MET B 2 3.707 -23.597 7.030 1.00 0.00 H new ATOM 0 HE2 MET B 2 2.321 -24.021 5.998 1.00 0.00 H new ATOM 0 HE3 MET B 2 3.881 -24.848 5.776 1.00 0.00 H new ATOM 519 N LYS B 3 3.559 -22.934 -0.762 1.00 0.00 N ATOM 520 CA LYS B 3 3.176 -22.761 -2.193 1.00 0.00 C ATOM 521 C LYS B 3 2.162 -23.832 -2.603 1.00 0.00 C ATOM 522 O LYS B 3 2.034 -24.856 -1.962 1.00 0.00 O ATOM 523 CB LYS B 3 4.479 -22.929 -2.975 1.00 0.00 C ATOM 524 CG LYS B 3 4.703 -21.702 -3.863 1.00 0.00 C ATOM 525 CD LYS B 3 5.566 -22.092 -5.065 1.00 0.00 C ATOM 526 CE LYS B 3 6.603 -20.998 -5.327 1.00 0.00 C ATOM 527 NZ LYS B 3 5.814 -19.822 -5.787 1.00 0.00 N ATOM 0 H LYS B 3 3.604 -23.900 -0.439 1.00 0.00 H new ATOM 0 HA LYS B 3 2.709 -21.794 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS B 3 5.316 -23.051 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.435 -23.830 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS B 3 3.746 -21.306 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS B 3 5.191 -20.911 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.065 -23.042 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.939 -22.232 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.168 -20.766 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.324 -21.310 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 6.446 -19.141 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.085 -20.135 -6.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.359 -19.368 -4.969 1.00 0.00 H new ATOM 541 N LYS B 4 1.441 -23.605 -3.666 1.00 0.00 N ATOM 542 CA LYS B 4 0.436 -24.611 -4.116 1.00 0.00 C ATOM 543 C LYS B 4 0.387 -24.659 -5.646 1.00 0.00 C ATOM 544 O LYS B 4 1.000 -25.503 -6.270 1.00 0.00 O ATOM 545 CB LYS B 4 -0.896 -24.119 -3.552 1.00 0.00 C ATOM 546 CG LYS B 4 -1.129 -24.743 -2.176 1.00 0.00 C ATOM 547 CD LYS B 4 -2.592 -25.176 -2.051 1.00 0.00 C ATOM 548 CE LYS B 4 -2.660 -26.574 -1.433 1.00 0.00 C ATOM 549 NZ LYS B 4 -3.568 -27.346 -2.326 1.00 0.00 N ATOM 0 H LYS B 4 1.504 -22.766 -4.243 1.00 0.00 H new ATOM 0 HA LYS B 4 0.676 -25.618 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.891 -23.032 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -1.709 -24.386 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.472 -25.602 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.883 -24.025 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -3.141 -24.466 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -3.067 -25.177 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -1.672 -27.032 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -3.046 -26.537 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -3.665 -28.317 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -4.503 -26.890 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -3.172 -27.370 -3.287 1.00 0.00 H new ATOM 563 N LYS B 5 -0.335 -23.758 -6.254 1.00 0.00 N ATOM 564 CA LYS B 5 -0.421 -23.752 -7.743 1.00 0.00 C ATOM 565 C LYS B 5 0.968 -23.533 -8.350 1.00 0.00 C ATOM 566 O LYS B 5 1.280 -24.039 -9.410 1.00 0.00 O ATOM 567 CB LYS B 5 -1.343 -22.581 -8.080 1.00 0.00 C ATOM 568 CG LYS B 5 -1.941 -22.784 -9.473 1.00 0.00 C ATOM 569 CD LYS B 5 -2.785 -21.564 -9.850 1.00 0.00 C ATOM 570 CE LYS B 5 -3.820 -21.965 -10.903 1.00 0.00 C ATOM 571 NZ LYS B 5 -4.834 -20.874 -10.879 1.00 0.00 N ATOM 0 H LYS B 5 -0.869 -23.026 -5.785 1.00 0.00 H new ATOM 0 HA LYS B 5 -0.797 -24.695 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -2.139 -22.506 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.786 -21.645 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -1.146 -22.929 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.556 -23.684 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.285 -21.167 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.145 -20.771 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.364 -22.059 -11.889 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.271 -22.929 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.579 -21.077 -11.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.255 -20.812 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.377 -19.970 -11.114 1.00 0.00 H new ATOM 585 N ASP B 6 1.803 -22.783 -7.685 1.00 0.00 N ATOM 586 CA ASP B 6 3.171 -22.533 -8.224 1.00 0.00 C ATOM 587 C ASP B 6 3.085 -21.950 -9.638 1.00 0.00 C ATOM 588 O ASP B 6 3.469 -22.580 -10.603 1.00 0.00 O ATOM 589 CB ASP B 6 3.844 -23.905 -8.249 1.00 0.00 C ATOM 590 CG ASP B 6 5.245 -23.778 -8.852 1.00 0.00 C ATOM 591 OD1 ASP B 6 6.071 -23.116 -8.246 1.00 0.00 O ATOM 592 OD2 ASP B 6 5.467 -24.343 -9.910 1.00 0.00 O ATOM 0 H ASP B 6 1.598 -22.333 -6.793 1.00 0.00 H new ATOM 0 HA ASP B 6 3.728 -21.817 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP B 6 3.907 -24.309 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP B 6 3.247 -24.604 -8.835 1.00 0.00 H new ATOM 597 N GLU B 7 2.582 -20.752 -9.768 1.00 0.00 N ATOM 598 CA GLU B 7 2.472 -20.133 -11.120 1.00 0.00 C ATOM 599 C GLU B 7 3.245 -18.811 -11.162 1.00 0.00 C ATOM 600 O GLU B 7 3.380 -18.129 -10.166 1.00 0.00 O ATOM 601 CB GLU B 7 0.977 -19.885 -11.323 1.00 0.00 C ATOM 602 CG GLU B 7 0.649 -19.944 -12.817 1.00 0.00 C ATOM 603 CD GLU B 7 -0.853 -19.744 -13.019 1.00 0.00 C ATOM 604 OE1 GLU B 7 -1.454 -19.052 -12.213 1.00 0.00 O ATOM 605 OE2 GLU B 7 -1.379 -20.286 -13.977 1.00 0.00 O ATOM 0 H GLU B 7 2.243 -20.176 -8.998 1.00 0.00 H new ATOM 0 HA GLU B 7 2.889 -20.770 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU B 7 0.397 -20.633 -10.782 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.700 -18.912 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU B 7 1.204 -19.174 -13.352 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.957 -20.904 -13.230 1.00 0.00 H new ATOM 612 N GLY B 8 3.752 -18.447 -12.307 1.00 0.00 N ATOM 613 CA GLY B 8 4.514 -17.171 -12.413 1.00 0.00 C ATOM 614 C GLY B 8 3.650 -16.116 -13.105 1.00 0.00 C ATOM 615 O GLY B 8 4.143 -15.264 -13.817 1.00 0.00 O ATOM 0 H GLY B 8 3.672 -18.978 -13.174 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.804 -16.825 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.433 -17.330 -12.977 1.00 0.00 H new ATOM 619 N SER B 9 2.362 -16.167 -12.903 1.00 0.00 N ATOM 620 CA SER B 9 1.464 -15.168 -13.550 1.00 0.00 C ATOM 621 C SER B 9 0.095 -15.171 -12.866 1.00 0.00 C ATOM 622 O SER B 9 -0.238 -16.078 -12.130 1.00 0.00 O ATOM 623 CB SER B 9 1.341 -15.627 -15.001 1.00 0.00 C ATOM 624 OG SER B 9 2.614 -15.545 -15.628 1.00 0.00 O ATOM 0 H SER B 9 1.892 -16.858 -12.318 1.00 0.00 H new ATOM 0 HA SER B 9 1.853 -14.152 -13.477 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.968 -16.651 -15.041 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.620 -15.005 -15.532 1.00 0.00 H new ATOM 0 HG SER B 9 3.203 -14.968 -15.098 1.00 0.00 H new ATOM 630 N TYR B 10 -0.701 -14.164 -13.102 1.00 0.00 N ATOM 631 CA TYR B 10 -2.046 -14.115 -12.461 1.00 0.00 C ATOM 632 C TYR B 10 -3.107 -13.685 -13.479 1.00 0.00 C ATOM 633 O TYR B 10 -3.734 -14.505 -14.120 1.00 0.00 O ATOM 634 CB TYR B 10 -1.917 -13.072 -11.349 1.00 0.00 C ATOM 635 CG TYR B 10 -1.402 -13.736 -10.095 1.00 0.00 C ATOM 636 CD1 TYR B 10 -2.178 -14.705 -9.446 1.00 0.00 C ATOM 637 CD2 TYR B 10 -0.148 -13.382 -9.579 1.00 0.00 C ATOM 638 CE1 TYR B 10 -1.701 -15.322 -8.283 1.00 0.00 C ATOM 639 CE2 TYR B 10 0.330 -13.998 -8.415 1.00 0.00 C ATOM 640 CZ TYR B 10 -0.446 -14.969 -7.766 1.00 0.00 C ATOM 641 OH TYR B 10 0.025 -15.575 -6.620 1.00 0.00 O ATOM 0 H TYR B 10 -0.479 -13.375 -13.709 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.354 -15.087 -12.076 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -1.238 -12.277 -11.658 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.884 -12.608 -11.157 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.145 -14.976 -9.843 1.00 0.00 H new ATOM 0 HD2 TYR B 10 0.450 -12.634 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -2.300 -16.070 -7.784 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.296 -13.725 -8.017 1.00 0.00 H new ATOM 0 HH TYR B 10 0.910 -15.216 -6.400 1.00 0.00 H new ATOM 651 N ASP B 11 -3.313 -12.405 -13.634 1.00 0.00 N ATOM 652 CA ASP B 11 -4.335 -11.929 -14.611 1.00 0.00 C ATOM 653 C ASP B 11 -4.223 -10.414 -14.806 1.00 0.00 C ATOM 654 O ASP B 11 -3.735 -9.701 -13.951 1.00 0.00 O ATOM 655 CB ASP B 11 -5.681 -12.288 -13.981 1.00 0.00 C ATOM 656 CG ASP B 11 -6.793 -12.107 -15.015 1.00 0.00 C ATOM 657 OD1 ASP B 11 -6.478 -11.748 -16.138 1.00 0.00 O ATOM 658 OD2 ASP B 11 -7.941 -12.329 -14.668 1.00 0.00 O ATOM 0 H ASP B 11 -2.819 -11.670 -13.128 1.00 0.00 H new ATOM 0 HA ASP B 11 -4.207 -12.384 -15.593 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -5.665 -13.318 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -5.869 -11.655 -13.114 1.00 0.00 H new ATOM 663 N LEU B 12 -4.672 -9.919 -15.928 1.00 0.00 N ATOM 664 CA LEU B 12 -4.594 -8.454 -16.185 1.00 0.00 C ATOM 665 C LEU B 12 -5.640 -7.709 -15.349 1.00 0.00 C ATOM 666 O LEU B 12 -6.524 -7.065 -15.876 1.00 0.00 O ATOM 667 CB LEU B 12 -4.893 -8.302 -17.677 1.00 0.00 C ATOM 668 CG LEU B 12 -3.940 -7.274 -18.289 1.00 0.00 C ATOM 669 CD1 LEU B 12 -2.520 -7.842 -18.308 1.00 0.00 C ATOM 670 CD2 LEU B 12 -4.382 -6.961 -19.721 1.00 0.00 C ATOM 0 H LEU B 12 -5.090 -10.468 -16.679 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.623 -8.039 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.780 -9.262 -18.180 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.926 -7.986 -17.821 1.00 0.00 H new ATOM 0 HG LEU B 12 -3.958 -6.361 -17.693 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.841 -7.109 -18.744 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.205 -8.068 -17.289 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.501 -8.754 -18.904 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.704 -6.228 -20.159 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.363 -7.874 -20.316 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.394 -6.557 -19.709 1.00 0.00 H new ATOM 682 N GLY B 13 -5.545 -7.791 -14.050 1.00 0.00 N ATOM 683 CA GLY B 13 -6.536 -7.086 -13.187 1.00 0.00 C ATOM 684 C GLY B 13 -6.056 -5.658 -12.916 1.00 0.00 C ATOM 685 O GLY B 13 -6.836 -4.782 -12.598 1.00 0.00 O ATOM 0 H GLY B 13 -4.826 -8.314 -13.550 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.510 -7.067 -13.676 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -6.662 -7.623 -12.247 1.00 0.00 H new ATOM 689 N LYS B 14 -4.780 -5.417 -13.038 1.00 0.00 N ATOM 690 CA LYS B 14 -4.252 -4.045 -12.786 1.00 0.00 C ATOM 691 C LYS B 14 -4.652 -3.104 -13.926 1.00 0.00 C ATOM 692 O LYS B 14 -5.024 -3.536 -14.999 1.00 0.00 O ATOM 693 CB LYS B 14 -2.733 -4.209 -12.733 1.00 0.00 C ATOM 694 CG LYS B 14 -2.201 -3.619 -11.426 1.00 0.00 C ATOM 695 CD LYS B 14 -2.791 -4.386 -10.240 1.00 0.00 C ATOM 696 CE LYS B 14 -3.193 -3.399 -9.143 1.00 0.00 C ATOM 697 NZ LYS B 14 -4.591 -3.770 -8.786 1.00 0.00 N ATOM 0 H LYS B 14 -4.079 -6.110 -13.301 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.648 -3.613 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.468 -5.264 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.273 -3.708 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -1.113 -3.677 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.465 -2.564 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.659 -4.962 -10.561 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -2.061 -5.098 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.531 -3.476 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -3.136 -2.370 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -4.938 -3.137 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -5.199 -3.680 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -4.613 -4.752 -8.446 1.00 0.00 H new ATOM 711 N LYS B 15 -4.581 -1.820 -13.701 1.00 0.00 N ATOM 712 CA LYS B 15 -4.958 -0.851 -14.771 1.00 0.00 C ATOM 713 C LYS B 15 -4.262 0.492 -14.540 1.00 0.00 C ATOM 714 O LYS B 15 -4.086 0.916 -13.415 1.00 0.00 O ATOM 715 CB LYS B 15 -6.473 -0.695 -14.645 1.00 0.00 C ATOM 716 CG LYS B 15 -7.171 -1.693 -15.572 1.00 0.00 C ATOM 717 CD LYS B 15 -8.635 -1.285 -15.750 1.00 0.00 C ATOM 718 CE LYS B 15 -9.083 -1.599 -17.179 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.405 -0.274 -17.780 1.00 0.00 N ATOM 0 H LYS B 15 -4.278 -1.400 -12.822 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.662 -1.195 -15.762 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.782 -0.864 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.767 0.323 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.669 -1.719 -16.539 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.110 -2.698 -15.154 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -9.262 -1.819 -15.036 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.754 -0.221 -15.546 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.296 -2.105 -17.738 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.952 -2.257 -17.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.721 -0.406 -18.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.162 0.181 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.557 0.328 -17.767 1.00 0.00 H new ATOM 733 N PRO B 16 -3.891 1.119 -15.622 1.00 0.00 N ATOM 734 CA PRO B 16 -3.208 2.435 -15.548 1.00 0.00 C ATOM 735 C PRO B 16 -4.202 3.533 -15.155 1.00 0.00 C ATOM 736 O PRO B 16 -5.394 3.407 -15.354 1.00 0.00 O ATOM 737 CB PRO B 16 -2.697 2.653 -16.969 1.00 0.00 C ATOM 738 CG PRO B 16 -3.600 1.833 -17.835 1.00 0.00 C ATOM 739 CD PRO B 16 -4.069 0.666 -17.006 1.00 0.00 C ATOM 0 HA PRO B 16 -2.413 2.463 -14.803 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.735 3.707 -17.245 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.659 2.335 -17.068 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.447 2.426 -18.179 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.072 1.487 -18.723 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.110 0.421 -17.215 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.483 -0.230 -17.211 1.00 0.00 H new ATOM 747 N ILE B 17 -3.717 4.609 -14.603 1.00 0.00 N ATOM 748 CA ILE B 17 -4.615 5.719 -14.202 1.00 0.00 C ATOM 749 C ILE B 17 -3.848 7.039 -14.191 1.00 0.00 C ATOM 750 O ILE B 17 -3.555 7.579 -13.151 1.00 0.00 O ATOM 751 CB ILE B 17 -5.094 5.362 -12.796 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.902 4.940 -11.937 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.099 4.212 -12.872 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.312 4.925 -10.465 1.00 0.00 C ATOM 0 H ILE B 17 -2.727 4.765 -14.412 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.449 5.842 -14.892 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.572 6.233 -12.348 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.555 3.952 -12.239 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.071 5.629 -12.087 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.439 3.959 -11.868 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.952 4.514 -13.479 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.623 3.342 -13.324 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.461 4.624 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.638 5.922 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.130 4.218 -10.322 1.00 0.00 H new ATOM 766 N TYR B 18 -3.520 7.563 -15.341 1.00 0.00 N ATOM 767 CA TYR B 18 -2.768 8.853 -15.388 1.00 0.00 C ATOM 768 C TYR B 18 -3.740 10.036 -15.405 1.00 0.00 C ATOM 769 O TYR B 18 -4.180 10.476 -16.448 1.00 0.00 O ATOM 770 CB TYR B 18 -1.964 8.795 -16.691 1.00 0.00 C ATOM 771 CG TYR B 18 -0.795 9.750 -16.613 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.244 9.515 -15.702 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.747 10.870 -17.454 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.328 10.399 -15.631 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.338 11.754 -17.383 1.00 0.00 C ATOM 776 CZ TYR B 18 1.376 11.518 -16.471 1.00 0.00 C ATOM 777 OH TYR B 18 2.445 12.389 -16.402 1.00 0.00 O ATOM 0 H TYR B 18 -3.739 7.155 -16.250 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.125 8.988 -14.518 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.606 7.780 -16.863 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.603 9.055 -17.535 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.209 8.652 -15.054 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.546 11.052 -18.157 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.127 10.217 -14.928 1.00 0.00 H new ATOM 0 HE2 TYR B 18 0.374 12.617 -18.031 1.00 0.00 H new ATOM 0 HH TYR B 18 2.468 12.809 -15.517 1.00 0.00 H new ATOM 787 N LYS B 19 -4.075 10.555 -14.254 1.00 0.00 N ATOM 788 CA LYS B 19 -5.016 11.712 -14.201 1.00 0.00 C ATOM 789 C LYS B 19 -4.785 12.521 -12.921 1.00 0.00 C ATOM 790 O LYS B 19 -5.633 13.277 -12.490 1.00 0.00 O ATOM 791 CB LYS B 19 -6.413 11.090 -14.202 1.00 0.00 C ATOM 792 CG LYS B 19 -7.027 11.223 -15.597 1.00 0.00 C ATOM 793 CD LYS B 19 -8.420 10.594 -15.607 1.00 0.00 C ATOM 794 CE LYS B 19 -8.994 10.650 -17.025 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.291 11.370 -16.886 1.00 0.00 N ATOM 0 H LYS B 19 -3.738 10.228 -13.348 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.878 12.397 -15.038 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.356 10.040 -13.916 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -7.045 11.587 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.090 12.274 -15.879 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.390 10.733 -16.334 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.367 9.560 -15.265 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.075 11.125 -14.916 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.321 11.175 -17.703 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -9.139 9.649 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.746 11.449 -17.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.913 10.843 -16.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -10.120 12.322 -16.503 1.00 0.00 H new ATOM 809 N LYS B 20 -3.642 12.366 -12.312 1.00 0.00 N ATOM 810 CA LYS B 20 -3.347 13.122 -11.060 1.00 0.00 C ATOM 811 C LYS B 20 -3.301 14.626 -11.343 1.00 0.00 C ATOM 812 O LYS B 20 -3.225 15.053 -12.478 1.00 0.00 O ATOM 813 CB LYS B 20 -1.974 12.621 -10.610 1.00 0.00 C ATOM 814 CG LYS B 20 -1.861 12.728 -9.089 1.00 0.00 C ATOM 815 CD LYS B 20 -0.771 13.738 -8.726 1.00 0.00 C ATOM 816 CE LYS B 20 0.097 13.171 -7.601 1.00 0.00 C ATOM 817 NZ LYS B 20 -0.824 13.038 -6.438 1.00 0.00 N ATOM 0 H LYS B 20 -2.896 11.746 -12.628 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.110 12.967 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.833 11.587 -10.923 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.188 13.208 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -2.815 13.039 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.625 11.753 -8.662 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.156 13.955 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -1.223 14.679 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.525 12.208 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS B 20 0.930 13.835 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -0.271 13.021 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.479 13.845 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -1.366 12.154 -6.523 1.00 0.00 H new ATOM 831 N ALA B 21 -3.344 15.432 -10.316 1.00 0.00 N ATOM 832 CA ALA B 21 -3.299 16.909 -10.519 1.00 0.00 C ATOM 833 C ALA B 21 -2.797 17.597 -9.246 1.00 0.00 C ATOM 834 O ALA B 21 -3.574 18.124 -8.475 1.00 0.00 O ATOM 835 CB ALA B 21 -4.744 17.313 -10.813 1.00 0.00 C ATOM 0 H ALA B 21 -3.408 15.131 -9.344 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.625 17.197 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.795 18.390 -10.975 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -5.092 16.795 -11.707 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -5.377 17.043 -9.967 1.00 0.00 H new ATOM 841 N PRO B 22 -1.503 17.560 -9.068 1.00 0.00 N ATOM 842 CA PRO B 22 -0.876 18.180 -7.874 1.00 0.00 C ATOM 843 C PRO B 22 -0.877 19.707 -7.990 1.00 0.00 C ATOM 844 O PRO B 22 -0.527 20.409 -7.064 1.00 0.00 O ATOM 845 CB PRO B 22 0.550 17.637 -7.898 1.00 0.00 C ATOM 846 CG PRO B 22 0.812 17.295 -9.331 1.00 0.00 C ATOM 847 CD PRO B 22 -0.514 16.942 -9.956 1.00 0.00 C ATOM 0 HA PRO B 22 -1.404 17.949 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO B 22 1.261 18.379 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO B 22 0.649 16.760 -7.259 1.00 0.00 H new ATOM 0 HG2 PRO B 22 1.270 18.137 -9.850 1.00 0.00 H new ATOM 0 HG3 PRO B 22 1.507 16.459 -9.406 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -0.592 17.330 -10.971 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -0.652 15.862 -10.016 1.00 0.00 H new ATOM 855 N THR B 23 -1.268 20.224 -9.120 1.00 0.00 N ATOM 856 CA THR B 23 -1.290 21.706 -9.292 1.00 0.00 C ATOM 857 C THR B 23 -2.606 22.144 -9.938 1.00 0.00 C ATOM 858 O THR B 23 -3.098 21.517 -10.855 1.00 0.00 O ATOM 859 CB THR B 23 -0.109 22.015 -10.214 1.00 0.00 C ATOM 860 OG1 THR B 23 0.097 20.923 -11.099 1.00 0.00 O ATOM 861 CG2 THR B 23 1.151 22.239 -9.376 1.00 0.00 C ATOM 0 H THR B 23 -1.573 19.687 -9.932 1.00 0.00 H new ATOM 0 HA THR B 23 -1.213 22.234 -8.341 1.00 0.00 H new ATOM 0 HB THR B 23 -0.324 22.915 -10.790 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.284 21.262 -11.999 1.00 0.00 H new ATOM 0 HG21 THR B 23 1.991 22.459 -10.034 1.00 0.00 H new ATOM 0 HG22 THR B 23 0.992 23.077 -8.697 1.00 0.00 H new ATOM 0 HG23 THR B 23 1.368 21.341 -8.798 1.00 0.00 H new ATOM 869 N ASN B 24 -3.181 23.216 -9.465 1.00 0.00 N ATOM 870 CA ASN B 24 -4.466 23.692 -10.053 1.00 0.00 C ATOM 871 C ASN B 24 -4.672 25.178 -9.750 1.00 0.00 C ATOM 872 O ASN B 24 -4.991 25.959 -10.624 1.00 0.00 O ATOM 873 CB ASN B 24 -5.546 22.852 -9.369 1.00 0.00 C ATOM 874 CG ASN B 24 -6.805 22.832 -10.237 1.00 0.00 C ATOM 875 OD1 ASN B 24 -7.242 23.858 -10.718 1.00 0.00 O ATOM 876 ND2 ASN B 24 -7.411 21.697 -10.461 1.00 0.00 N ATOM 0 H ASN B 24 -2.818 23.782 -8.698 1.00 0.00 H new ATOM 0 HA ASN B 24 -4.488 23.585 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -5.185 21.836 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -5.775 23.266 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -8.251 21.673 -11.040 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -7.045 20.835 -10.057 1.00 0.00 H new ATOM 883 N GLU B 25 -4.497 25.574 -8.519 1.00 0.00 N ATOM 884 CA GLU B 25 -4.687 27.010 -8.166 1.00 0.00 C ATOM 885 C GLU B 25 -3.401 27.587 -7.568 1.00 0.00 C ATOM 886 O GLU B 25 -2.830 27.035 -6.648 1.00 0.00 O ATOM 887 CB GLU B 25 -5.810 27.015 -7.129 1.00 0.00 C ATOM 888 CG GLU B 25 -6.738 28.204 -7.386 1.00 0.00 C ATOM 889 CD GLU B 25 -8.168 27.830 -6.991 1.00 0.00 C ATOM 890 OE1 GLU B 25 -8.526 26.676 -7.161 1.00 0.00 O ATOM 891 OE2 GLU B 25 -8.881 28.704 -6.525 1.00 0.00 O ATOM 0 H GLU B 25 -4.231 24.967 -7.744 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.930 27.620 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -6.373 26.083 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -5.391 27.077 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -6.405 29.069 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.702 28.486 -8.438 1.00 0.00 H new ATOM 898 N PHE B 26 -2.942 28.695 -8.082 1.00 0.00 N ATOM 899 CA PHE B 26 -1.695 29.310 -7.542 1.00 0.00 C ATOM 900 C PHE B 26 -2.039 30.522 -6.673 1.00 0.00 C ATOM 901 O PHE B 26 -2.419 31.565 -7.169 1.00 0.00 O ATOM 902 CB PHE B 26 -0.901 29.741 -8.777 1.00 0.00 C ATOM 903 CG PHE B 26 0.575 29.550 -8.520 1.00 0.00 C ATOM 904 CD1 PHE B 26 1.257 30.426 -7.665 1.00 0.00 C ATOM 905 CD2 PHE B 26 1.264 28.497 -9.137 1.00 0.00 C ATOM 906 CE1 PHE B 26 2.626 30.250 -7.427 1.00 0.00 C ATOM 907 CE2 PHE B 26 2.633 28.320 -8.899 1.00 0.00 C ATOM 908 CZ PHE B 26 3.314 29.197 -8.044 1.00 0.00 C ATOM 0 H PHE B 26 -3.376 29.202 -8.853 1.00 0.00 H new ATOM 0 HA PHE B 26 -1.130 28.620 -6.915 1.00 0.00 H new ATOM 0 HB2 PHE B 26 -1.209 29.155 -9.643 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -1.108 30.786 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE B 26 0.727 31.238 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE B 26 0.739 27.822 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE B 26 3.151 30.926 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE B 26 3.163 27.508 -9.374 1.00 0.00 H new ATOM 0 HZ PHE B 26 4.370 29.061 -7.861 1.00 0.00 H new ATOM 918 N TYR B 27 -1.909 30.395 -5.381 1.00 0.00 N ATOM 919 CA TYR B 27 -2.229 31.543 -4.483 1.00 0.00 C ATOM 920 C TYR B 27 -1.172 31.667 -3.385 1.00 0.00 C ATOM 921 O TYR B 27 -0.922 30.738 -2.642 1.00 0.00 O ATOM 922 CB TYR B 27 -3.593 31.206 -3.880 1.00 0.00 C ATOM 923 CG TYR B 27 -4.506 32.403 -3.999 1.00 0.00 C ATOM 924 CD1 TYR B 27 -4.440 33.432 -3.050 1.00 0.00 C ATOM 925 CD2 TYR B 27 -5.416 32.486 -5.060 1.00 0.00 C ATOM 926 CE1 TYR B 27 -5.286 34.543 -3.162 1.00 0.00 C ATOM 927 CE2 TYR B 27 -6.261 33.598 -5.173 1.00 0.00 C ATOM 928 CZ TYR B 27 -6.196 34.626 -4.224 1.00 0.00 C ATOM 929 OH TYR B 27 -7.029 35.721 -4.335 1.00 0.00 O ATOM 0 H TYR B 27 -1.596 29.548 -4.908 1.00 0.00 H new ATOM 0 HA TYR B 27 -2.243 32.493 -5.017 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -4.029 30.350 -4.395 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -3.480 30.924 -2.833 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -3.737 33.369 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -5.467 31.693 -5.791 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -5.237 35.335 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -6.962 33.662 -5.992 1.00 0.00 H new ATOM 0 HH TYR B 27 -7.597 35.621 -5.128 1.00 0.00 H new ATOM 939 N ALA B 28 -0.548 32.807 -3.274 1.00 0.00 N ATOM 940 CA ALA B 28 0.493 32.989 -2.222 1.00 0.00 C ATOM 941 C ALA B 28 -0.155 33.440 -0.911 1.00 0.00 C ATOM 942 O ALA B 28 -1.171 34.112 -0.974 1.00 0.00 O ATOM 943 CB ALA B 28 1.418 34.078 -2.765 1.00 0.00 C ATOM 944 OXT ALA B 28 0.377 33.104 0.136 1.00 0.00 O ATOM 0 H ALA B 28 -0.714 33.621 -3.866 1.00 0.00 H new ATOM 0 HA ALA B 28 1.032 32.066 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA B 28 2.214 34.271 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA B 28 1.853 33.749 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.847 34.992 -2.928 1.00 0.00 H new TER 950 ALA B 28