USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 8 CYS SG : rot 149:sc= 0.576 USER MOD Set 1.2: A 15 TYR OH : rot 164:sc= -3.3! USER MOD Set 1.3: A 21 CYS SG : rot 17:sc= 0.343 USER MOD Set 2.1: A 16 CYS SG : rot -171:sc= -0.818! USER MOD Set 2.2: A 32 CYS SG : rot -174:sc= 1.03! USER MOD Set 2.3: A 34 CYS SG : rot -98:sc= 0.771! USER MOD Set 2.4: A 38 TYR OH : rot -107:sc= 0.913 USER MOD Set 2.5: A 43 CYS SG : rot 112:sc= -2.96! USER MOD Single : A 1 ARG N :NH3+ -125:sc= -0.0134 (180deg=-0.265) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.29) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.3) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= -1.71! (180deg=-2.77!) USER MOD Single : A 14 HIS : no HD1:sc=-0.00735 X(o=-0.0074,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.431 (180deg=-0.747) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 76:sc= 0.575 USER MOD Single : A 31 SER OG : rot -13:sc= 0.175! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.189 16.652 -8.420 1.00 0.00 N ATOM 2 CA ARG A 1 5.058 15.978 -9.744 1.00 0.00 C ATOM 3 C ARG A 1 4.670 14.509 -9.554 1.00 0.00 C ATOM 4 O ARG A 1 3.507 14.161 -9.541 1.00 0.00 O ATOM 5 CB ARG A 1 6.442 16.090 -10.383 1.00 0.00 C ATOM 6 CG ARG A 1 6.645 17.508 -10.920 1.00 0.00 C ATOM 7 CD ARG A 1 6.321 17.540 -12.415 1.00 0.00 C ATOM 8 NE ARG A 1 5.062 18.328 -12.520 1.00 0.00 N ATOM 9 CZ ARG A 1 4.257 18.141 -13.530 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.665 18.390 -14.744 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.044 17.707 -13.325 1.00 0.00 N ATOM 0 H1 ARG A 1 4.576 17.492 -8.396 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.905 15.994 -7.666 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.177 16.940 -8.274 1.00 0.00 H new ATOM 0 HA ARG A 1 4.285 16.432 -10.364 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.213 15.854 -9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.540 15.366 -11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.003 18.207 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.674 17.827 -10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.126 18.005 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.191 16.533 -12.812 1.00 0.00 H new ATOM 0 HE ARG A 1 4.829 19.014 -11.802 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.613 18.731 -14.904 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.036 18.244 -15.533 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.725 17.514 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.414 17.561 -14.114 1.00 0.00 H new ATOM 27 N LYS A 2 5.638 13.646 -9.408 1.00 0.00 N ATOM 28 CA LYS A 2 5.326 12.199 -9.221 1.00 0.00 C ATOM 29 C LYS A 2 5.106 11.893 -7.736 1.00 0.00 C ATOM 30 O LYS A 2 5.733 11.018 -7.174 1.00 0.00 O ATOM 31 CB LYS A 2 6.556 11.459 -9.744 1.00 0.00 C ATOM 32 CG LYS A 2 7.744 11.723 -8.817 1.00 0.00 C ATOM 33 CD LYS A 2 8.241 10.400 -8.233 1.00 0.00 C ATOM 34 CE LYS A 2 9.769 10.354 -8.301 1.00 0.00 C ATOM 35 NZ LYS A 2 10.142 9.045 -7.693 1.00 0.00 N ATOM 0 H LYS A 2 6.631 13.879 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 2 4.418 11.901 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.354 10.389 -9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.790 11.791 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.546 12.214 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.449 12.399 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.909 10.299 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.816 9.563 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.121 10.426 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.214 11.185 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.177 8.940 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.800 9.008 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.710 8.273 -8.239 1.00 0.00 H new ATOM 49 N GLY A 3 4.220 12.607 -7.097 1.00 0.00 N ATOM 50 CA GLY A 3 3.963 12.355 -5.651 1.00 0.00 C ATOM 51 C GLY A 3 3.125 13.495 -5.072 1.00 0.00 C ATOM 52 O GLY A 3 3.536 14.174 -4.151 1.00 0.00 O ATOM 0 H GLY A 3 3.663 13.353 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.442 11.406 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.907 12.274 -5.112 1.00 0.00 H new ATOM 56 N HIS A 4 1.954 13.712 -5.603 1.00 0.00 N ATOM 57 CA HIS A 4 1.090 14.810 -5.079 1.00 0.00 C ATOM 58 C HIS A 4 0.041 14.246 -4.118 1.00 0.00 C ATOM 59 O HIS A 4 -1.055 14.761 -4.006 1.00 0.00 O ATOM 60 CB HIS A 4 0.419 15.410 -6.316 1.00 0.00 C ATOM 61 CG HIS A 4 0.525 16.910 -6.266 1.00 0.00 C ATOM 62 ND1 HIS A 4 -0.377 17.736 -6.916 1.00 0.00 N ATOM 63 CD2 HIS A 4 1.420 17.746 -5.646 1.00 0.00 C ATOM 64 CE1 HIS A 4 -0.009 19.008 -6.676 1.00 0.00 C ATOM 65 NE2 HIS A 4 1.082 19.070 -5.907 1.00 0.00 N ATOM 0 H HIS A 4 1.557 13.178 -6.376 1.00 0.00 H new ATOM 0 HA HIS A 4 1.660 15.555 -4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.895 15.031 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.628 15.110 -6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.259 17.425 -5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.531 19.873 -7.058 1.00 0.00 H new ATOM 0 HE2 HIS A 4 1.564 19.908 -5.581 1.00 0.00 H new ATOM 73 N PHE A 5 0.366 13.189 -3.424 1.00 0.00 N ATOM 74 CA PHE A 5 -0.613 12.592 -2.470 1.00 0.00 C ATOM 75 C PHE A 5 0.090 12.190 -1.172 1.00 0.00 C ATOM 76 O PHE A 5 1.098 12.758 -0.797 1.00 0.00 O ATOM 77 CB PHE A 5 -1.160 11.357 -3.187 1.00 0.00 C ATOM 78 CG PHE A 5 -1.676 11.752 -4.550 1.00 0.00 C ATOM 79 CD1 PHE A 5 -0.795 11.843 -5.633 1.00 0.00 C ATOM 80 CD2 PHE A 5 -3.037 12.027 -4.728 1.00 0.00 C ATOM 81 CE1 PHE A 5 -1.275 12.209 -6.897 1.00 0.00 C ATOM 82 CE2 PHE A 5 -3.517 12.393 -5.991 1.00 0.00 C ATOM 83 CZ PHE A 5 -2.636 12.485 -7.076 1.00 0.00 C ATOM 0 H PHE A 5 1.267 12.713 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.404 13.291 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.377 10.605 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.961 10.907 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.255 11.631 -5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.716 11.957 -3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.595 12.278 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.567 12.605 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.006 12.769 -8.050 1.00 0.00 H new ATOM 93 N SER A 6 -0.432 11.214 -0.480 1.00 0.00 N ATOM 94 CA SER A 6 0.207 10.776 0.794 1.00 0.00 C ATOM 95 C SER A 6 0.308 9.249 0.836 1.00 0.00 C ATOM 96 O SER A 6 -0.660 8.545 0.621 1.00 0.00 O ATOM 97 CB SER A 6 -0.721 11.283 1.897 1.00 0.00 C ATOM 98 OG SER A 6 -1.445 12.411 1.421 1.00 0.00 O ATOM 0 H SER A 6 -1.274 10.701 -0.742 1.00 0.00 H new ATOM 0 HA SER A 6 1.220 11.164 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.411 10.495 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.142 11.554 2.779 1.00 0.00 H new ATOM 0 HG SER A 6 -2.042 12.738 2.126 1.00 0.00 H new ATOM 104 N ARG A 7 1.475 8.729 1.111 1.00 0.00 N ATOM 105 CA ARG A 7 1.639 7.249 1.166 1.00 0.00 C ATOM 106 C ARG A 7 1.619 6.767 2.619 1.00 0.00 C ATOM 107 O ARG A 7 2.373 7.236 3.449 1.00 0.00 O ATOM 108 CB ARG A 7 3.003 6.980 0.530 1.00 0.00 C ATOM 109 CG ARG A 7 2.865 6.982 -0.994 1.00 0.00 C ATOM 110 CD ARG A 7 3.468 8.271 -1.559 1.00 0.00 C ATOM 111 NE ARG A 7 4.923 8.182 -1.254 1.00 0.00 N ATOM 112 CZ ARG A 7 5.801 8.426 -2.186 1.00 0.00 C ATOM 113 NH1 ARG A 7 5.506 9.238 -3.164 1.00 0.00 N ATOM 114 NH2 ARG A 7 6.975 7.857 -2.143 1.00 0.00 N ATOM 0 H ARG A 7 2.321 9.266 1.300 1.00 0.00 H new ATOM 0 HA ARG A 7 0.836 6.724 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.718 7.741 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.391 6.020 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.372 6.115 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.815 6.906 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.294 8.351 -2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.021 9.151 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 7 5.233 7.930 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.588 9.682 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.193 9.429 -3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.206 7.221 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.662 8.048 -2.873 1.00 0.00 H new ATOM 128 N CYS A 8 0.760 5.836 2.933 1.00 0.00 N ATOM 129 CA CYS A 8 0.691 5.326 4.332 1.00 0.00 C ATOM 130 C CYS A 8 2.001 4.626 4.710 1.00 0.00 C ATOM 131 O CYS A 8 2.457 3.746 4.008 1.00 0.00 O ATOM 132 CB CYS A 8 -0.467 4.327 4.330 1.00 0.00 C ATOM 133 SG CYS A 8 -1.777 4.921 5.429 1.00 0.00 S ATOM 0 H CYS A 8 0.103 5.407 2.282 1.00 0.00 H new ATOM 0 HA CYS A 8 0.541 6.127 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.854 4.204 3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.118 3.348 4.659 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.931 4.524 4.982 1.00 0.00 H new ATOM 138 N PRO A 9 2.562 5.042 5.814 1.00 0.00 N ATOM 139 CA PRO A 9 3.832 4.445 6.292 1.00 0.00 C ATOM 140 C PRO A 9 3.577 3.049 6.871 1.00 0.00 C ATOM 141 O PRO A 9 2.463 2.699 7.205 1.00 0.00 O ATOM 142 CB PRO A 9 4.295 5.410 7.379 1.00 0.00 C ATOM 143 CG PRO A 9 3.049 6.085 7.860 1.00 0.00 C ATOM 144 CD PRO A 9 2.073 6.096 6.710 1.00 0.00 C ATOM 0 HA PRO A 9 4.572 4.317 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.794 4.880 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.008 6.134 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.630 5.554 8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.265 7.101 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.057 5.892 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.055 7.065 6.212 1.00 0.00 H new ATOM 152 N LYS A 10 4.602 2.248 6.987 1.00 0.00 N ATOM 153 CA LYS A 10 4.416 0.875 7.539 1.00 0.00 C ATOM 154 C LYS A 10 3.960 0.942 9.000 1.00 0.00 C ATOM 155 O LYS A 10 3.220 0.099 9.467 1.00 0.00 O ATOM 156 CB LYS A 10 5.792 0.217 7.436 1.00 0.00 C ATOM 157 CG LYS A 10 5.634 -1.230 6.966 1.00 0.00 C ATOM 158 CD LYS A 10 6.740 -2.090 7.582 1.00 0.00 C ATOM 159 CE LYS A 10 7.422 -2.908 6.484 1.00 0.00 C ATOM 160 NZ LYS A 10 8.175 -3.970 7.208 1.00 0.00 N ATOM 0 H LYS A 10 5.559 2.485 6.724 1.00 0.00 H new ATOM 0 HA LYS A 10 3.653 0.315 6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.420 0.770 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.292 0.243 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.656 -1.613 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.685 -1.278 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.470 -1.456 8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.320 -2.754 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.690 -3.339 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.090 -2.288 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.671 -4.574 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.868 -3.530 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.512 -4.549 7.763 1.00 0.00 H new ATOM 174 N GLN A 11 4.397 1.935 9.725 1.00 0.00 N ATOM 175 CA GLN A 11 3.989 2.050 11.154 1.00 0.00 C ATOM 176 C GLN A 11 2.483 2.310 11.262 1.00 0.00 C ATOM 177 O GLN A 11 1.914 2.280 12.335 1.00 0.00 O ATOM 178 CB GLN A 11 4.778 3.242 11.698 1.00 0.00 C ATOM 179 CG GLN A 11 4.562 3.352 13.208 1.00 0.00 C ATOM 180 CD GLN A 11 4.934 2.026 13.875 1.00 0.00 C ATOM 181 OE1 GLN A 11 4.125 1.428 14.558 1.00 0.00 O ATOM 182 NE2 GLN A 11 6.132 1.537 13.706 1.00 0.00 N ATOM 0 H GLN A 11 5.018 2.671 9.390 1.00 0.00 H new ATOM 0 HA GLN A 11 4.192 1.136 11.712 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.839 3.119 11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.456 4.160 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.171 4.159 13.615 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.522 3.599 13.420 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.811 2.038 13.133 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.389 0.654 14.147 1.00 0.00 H new ATOM 191 N TYR A 12 1.833 2.563 10.159 1.00 0.00 N ATOM 192 CA TYR A 12 0.364 2.823 10.204 1.00 0.00 C ATOM 193 C TYR A 12 -0.374 1.849 9.283 1.00 0.00 C ATOM 194 O TYR A 12 -1.581 1.900 9.150 1.00 0.00 O ATOM 195 CB TYR A 12 0.201 4.258 9.704 1.00 0.00 C ATOM 196 CG TYR A 12 -0.217 5.147 10.850 1.00 0.00 C ATOM 197 CD1 TYR A 12 -1.530 5.093 11.335 1.00 0.00 C ATOM 198 CD2 TYR A 12 0.707 6.027 11.426 1.00 0.00 C ATOM 199 CE1 TYR A 12 -1.917 5.919 12.398 1.00 0.00 C ATOM 200 CE2 TYR A 12 0.319 6.852 12.487 1.00 0.00 C ATOM 201 CZ TYR A 12 -0.992 6.799 12.974 1.00 0.00 C ATOM 202 OH TYR A 12 -1.375 7.613 14.020 1.00 0.00 O ATOM 0 H TYR A 12 2.253 2.601 9.230 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.048 2.689 11.204 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.139 4.614 9.277 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.545 4.295 8.910 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.243 4.415 10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.719 6.069 11.051 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.929 5.877 12.774 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.032 7.531 12.931 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.614 8.161 14.304 1.00 0.00 H new ATOM 212 N LYS A 13 0.341 0.966 8.641 1.00 0.00 N ATOM 213 CA LYS A 13 -0.321 -0.006 7.726 1.00 0.00 C ATOM 214 C LYS A 13 -0.759 -1.252 8.499 1.00 0.00 C ATOM 215 O LYS A 13 -0.172 -2.309 8.377 1.00 0.00 O ATOM 216 CB LYS A 13 0.747 -0.364 6.693 1.00 0.00 C ATOM 217 CG LYS A 13 0.764 0.697 5.591 1.00 0.00 C ATOM 218 CD LYS A 13 1.709 0.255 4.472 1.00 0.00 C ATOM 219 CE LYS A 13 1.602 1.233 3.300 1.00 0.00 C ATOM 220 NZ LYS A 13 3.009 1.486 2.883 1.00 0.00 N ATOM 0 H LYS A 13 1.355 0.876 8.711 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.217 0.408 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.725 -0.424 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.541 -1.345 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.241 0.843 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.088 1.655 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.735 0.221 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.455 -0.753 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.018 0.809 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.107 2.156 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.029 1.774 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.414 2.243 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.568 0.618 3.004 1.00 0.00 H new ATOM 234 N HIS A 14 -1.795 -1.145 9.282 1.00 0.00 N ATOM 235 CA HIS A 14 -2.260 -2.329 10.053 1.00 0.00 C ATOM 236 C HIS A 14 -3.197 -3.156 9.184 1.00 0.00 C ATOM 237 O HIS A 14 -3.435 -4.321 9.435 1.00 0.00 O ATOM 238 CB HIS A 14 -3.012 -1.751 11.251 1.00 0.00 C ATOM 239 CG HIS A 14 -2.037 -1.080 12.179 1.00 0.00 C ATOM 240 ND1 HIS A 14 -2.291 0.158 12.749 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.802 -1.460 12.643 1.00 0.00 C ATOM 242 CE1 HIS A 14 -1.232 0.476 13.516 1.00 0.00 C ATOM 243 NE2 HIS A 14 -0.295 -0.476 13.487 1.00 0.00 N ATOM 0 H HIS A 14 -2.338 -0.293 9.421 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.442 -2.978 10.367 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.761 -1.034 10.913 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.544 -2.544 11.777 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.300 -2.383 12.391 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.150 1.390 14.086 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.599 -0.481 13.978 1.00 0.00 H new ATOM 251 N TYR A 15 -3.707 -2.567 8.143 1.00 0.00 N ATOM 252 CA TYR A 15 -4.604 -3.322 7.230 1.00 0.00 C ATOM 253 C TYR A 15 -3.753 -4.130 6.246 1.00 0.00 C ATOM 254 O TYR A 15 -4.253 -4.971 5.525 1.00 0.00 O ATOM 255 CB TYR A 15 -5.435 -2.265 6.495 1.00 0.00 C ATOM 256 CG TYR A 15 -4.532 -1.183 5.951 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.771 -1.414 4.799 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.457 0.055 6.602 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.936 -0.408 4.298 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.621 1.061 6.102 1.00 0.00 C ATOM 261 CZ TYR A 15 -2.862 0.829 4.950 1.00 0.00 C ATOM 262 OH TYR A 15 -2.037 1.820 4.458 1.00 0.00 O ATOM 0 H TYR A 15 -3.542 -1.594 7.884 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.249 -4.022 7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.991 -2.730 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.168 -1.830 7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.828 -2.368 4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.044 0.234 7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.349 -0.586 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.562 2.015 6.605 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.287 2.681 4.854 1.00 0.00 H new ATOM 272 N CYS A 16 -2.464 -3.886 6.217 1.00 0.00 N ATOM 273 CA CYS A 16 -1.582 -4.647 5.283 1.00 0.00 C ATOM 274 C CYS A 16 -0.124 -4.565 5.747 1.00 0.00 C ATOM 275 O CYS A 16 0.350 -3.522 6.152 1.00 0.00 O ATOM 276 CB CYS A 16 -1.750 -3.961 3.927 1.00 0.00 C ATOM 277 SG CYS A 16 -3.139 -4.712 3.040 1.00 0.00 S ATOM 0 H CYS A 16 -1.989 -3.195 6.798 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.844 -5.704 5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.927 -2.895 4.066 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.835 -4.058 3.342 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.172 -4.258 1.822 1.00 0.00 H new ATOM 282 N ILE A 17 0.591 -5.656 5.691 1.00 0.00 N ATOM 283 CA ILE A 17 2.017 -5.633 6.129 1.00 0.00 C ATOM 284 C ILE A 17 2.941 -5.398 4.929 1.00 0.00 C ATOM 285 O ILE A 17 3.531 -4.344 4.788 1.00 0.00 O ATOM 286 CB ILE A 17 2.266 -7.011 6.741 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.116 -7.363 7.689 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.579 -6.992 7.524 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.069 -6.351 8.835 1.00 0.00 C ATOM 0 H ILE A 17 0.251 -6.560 5.362 1.00 0.00 H new ATOM 0 HA ILE A 17 2.217 -4.831 6.839 1.00 0.00 H new ATOM 0 HB ILE A 17 2.326 -7.755 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.170 -7.359 7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.252 -8.370 8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.757 -7.975 7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.400 -6.740 6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.518 -6.248 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.250 -6.602 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.011 -6.378 9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.912 -5.351 8.431 1.00 0.00 H new ATOM 301 N LYS A 18 3.075 -6.367 4.064 1.00 0.00 N ATOM 302 CA LYS A 18 3.966 -6.187 2.878 1.00 0.00 C ATOM 303 C LYS A 18 3.180 -5.601 1.700 1.00 0.00 C ATOM 304 O LYS A 18 3.048 -6.209 0.655 1.00 0.00 O ATOM 305 CB LYS A 18 4.484 -7.589 2.544 1.00 0.00 C ATOM 306 CG LYS A 18 3.326 -8.482 2.097 1.00 0.00 C ATOM 307 CD LYS A 18 3.737 -9.950 2.223 1.00 0.00 C ATOM 308 CE LYS A 18 5.071 -10.168 1.506 1.00 0.00 C ATOM 309 NZ LYS A 18 6.013 -10.604 2.574 1.00 0.00 N ATOM 0 H LYS A 18 2.609 -7.272 4.125 1.00 0.00 H new ATOM 0 HA LYS A 18 4.783 -5.495 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.234 -7.530 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.972 -8.023 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.445 -8.286 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.055 -8.256 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.827 -10.225 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.970 -10.592 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.981 -10.924 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.415 -9.252 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.992 -10.450 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.837 -10.053 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.869 -11.615 2.773 1.00 0.00 H new ATOM 323 N GLY A 19 2.661 -4.415 1.862 1.00 0.00 N ATOM 324 CA GLY A 19 1.889 -3.781 0.758 1.00 0.00 C ATOM 325 C GLY A 19 1.817 -2.271 0.991 1.00 0.00 C ATOM 326 O GLY A 19 1.678 -1.812 2.107 1.00 0.00 O ATOM 0 H GLY A 19 2.739 -3.857 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.365 -3.990 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.884 -4.202 0.714 1.00 0.00 H new ATOM 330 N ARG A 20 1.905 -1.494 -0.053 1.00 0.00 N ATOM 331 CA ARG A 20 1.834 -0.013 0.115 1.00 0.00 C ATOM 332 C ARG A 20 0.399 0.459 -0.119 1.00 0.00 C ATOM 333 O ARG A 20 -0.343 -0.144 -0.864 1.00 0.00 O ATOM 334 CB ARG A 20 2.769 0.565 -0.949 1.00 0.00 C ATOM 335 CG ARG A 20 4.167 0.748 -0.356 1.00 0.00 C ATOM 336 CD ARG A 20 5.056 -0.424 -0.774 1.00 0.00 C ATOM 337 NE ARG A 20 6.447 0.047 -0.535 1.00 0.00 N ATOM 338 CZ ARG A 20 7.440 -0.498 -1.183 1.00 0.00 C ATOM 339 NH1 ARG A 20 7.721 -1.759 -1.005 1.00 0.00 N ATOM 340 NH2 ARG A 20 8.152 0.219 -2.008 1.00 0.00 N ATOM 0 H ARG A 20 2.023 -1.818 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 20 2.126 0.306 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.812 -0.101 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.385 1.521 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.600 1.687 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.108 0.804 0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.835 -1.316 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.901 -0.684 -1.821 1.00 0.00 H new ATOM 0 HE ARG A 20 6.624 0.795 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.165 -2.319 -0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.497 -2.185 -1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.933 1.205 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.928 -0.207 -2.515 1.00 0.00 H new ATOM 354 N CYS A 21 -0.004 1.527 0.513 1.00 0.00 N ATOM 355 CA CYS A 21 -1.398 2.019 0.320 1.00 0.00 C ATOM 356 C CYS A 21 -1.404 3.527 0.056 1.00 0.00 C ATOM 357 O CYS A 21 -0.803 4.297 0.778 1.00 0.00 O ATOM 358 CB CYS A 21 -2.112 1.704 1.632 1.00 0.00 C ATOM 359 SG CYS A 21 -3.758 2.455 1.619 1.00 0.00 S ATOM 0 H CYS A 21 0.569 2.078 1.152 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.883 1.549 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.194 0.625 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.534 2.085 2.474 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.085 2.763 0.399 1.00 0.00 H new ATOM 364 N ARG A 22 -2.087 3.952 -0.970 1.00 0.00 N ATOM 365 CA ARG A 22 -2.142 5.409 -1.279 1.00 0.00 C ATOM 366 C ARG A 22 -3.450 6.006 -0.755 1.00 0.00 C ATOM 367 O ARG A 22 -4.529 5.574 -1.112 1.00 0.00 O ATOM 368 CB ARG A 22 -2.085 5.493 -2.805 1.00 0.00 C ATOM 369 CG ARG A 22 -0.956 4.601 -3.323 1.00 0.00 C ATOM 370 CD ARG A 22 -0.946 4.627 -4.853 1.00 0.00 C ATOM 371 NE ARG A 22 0.021 5.698 -5.214 1.00 0.00 N ATOM 372 CZ ARG A 22 -0.396 6.782 -5.811 1.00 0.00 C ATOM 373 NH1 ARG A 22 -0.579 6.785 -7.103 1.00 0.00 N ATOM 374 NH2 ARG A 22 -0.632 7.861 -5.116 1.00 0.00 N ATOM 0 H ARG A 22 -2.610 3.353 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.328 5.964 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.037 5.178 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.920 6.524 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.002 4.948 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.092 3.580 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.639 3.664 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.938 4.841 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 22 1.011 5.586 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.396 5.941 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.905 7.631 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.491 7.858 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.958 8.707 -5.583 1.00 0.00 H new ATOM 388 N PHE A 23 -3.363 6.992 0.094 1.00 0.00 N ATOM 389 CA PHE A 23 -4.601 7.613 0.644 1.00 0.00 C ATOM 390 C PHE A 23 -4.753 9.043 0.120 1.00 0.00 C ATOM 391 O PHE A 23 -4.085 9.953 0.569 1.00 0.00 O ATOM 392 CB PHE A 23 -4.398 7.618 2.159 1.00 0.00 C ATOM 393 CG PHE A 23 -5.740 7.611 2.849 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.677 8.613 2.567 1.00 0.00 C ATOM 395 CD2 PHE A 23 -6.048 6.604 3.772 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.921 8.608 3.207 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.293 6.599 4.412 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.230 7.601 4.129 1.00 0.00 C ATOM 0 H PHE A 23 -2.489 7.395 0.431 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.501 7.071 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.818 6.746 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.829 8.499 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.439 9.390 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.325 5.832 3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.643 9.381 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.531 5.823 5.124 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.191 7.597 4.622 1.00 0.00 H new ATOM 408 N VAL A 24 -5.627 9.249 -0.828 1.00 0.00 N ATOM 409 CA VAL A 24 -5.815 10.624 -1.374 1.00 0.00 C ATOM 410 C VAL A 24 -6.732 11.435 -0.456 1.00 0.00 C ATOM 411 O VAL A 24 -7.841 11.032 -0.156 1.00 0.00 O ATOM 412 CB VAL A 24 -6.466 10.426 -2.742 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.536 11.768 -3.473 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.632 9.442 -3.566 1.00 0.00 C ATOM 0 H VAL A 24 -6.216 8.529 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.874 11.170 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.473 10.030 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.000 11.627 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.129 12.471 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.529 12.164 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.096 9.300 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.625 9.839 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.580 8.485 -3.047 1.00 0.00 H new ATOM 424 N VAL A 25 -6.274 12.574 -0.005 1.00 0.00 N ATOM 425 CA VAL A 25 -7.110 13.417 0.899 1.00 0.00 C ATOM 426 C VAL A 25 -8.141 14.206 0.087 1.00 0.00 C ATOM 427 O VAL A 25 -9.326 13.947 0.159 1.00 0.00 O ATOM 428 CB VAL A 25 -6.124 14.364 1.581 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.818 15.069 2.748 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.931 13.563 2.105 1.00 0.00 C ATOM 0 H VAL A 25 -5.355 12.957 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.667 12.820 1.621 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.777 15.107 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.115 15.745 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.669 15.638 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.165 14.327 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.226 14.237 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.279 12.820 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.437 13.060 1.274 1.00 0.00 H new ATOM 440 N ALA A 26 -7.700 15.166 -0.688 1.00 0.00 N ATOM 441 CA ALA A 26 -8.662 15.965 -1.506 1.00 0.00 C ATOM 442 C ALA A 26 -9.708 15.031 -2.114 1.00 0.00 C ATOM 443 O ALA A 26 -10.892 15.300 -2.092 1.00 0.00 O ATOM 444 CB ALA A 26 -7.815 16.613 -2.601 1.00 0.00 C ATOM 0 H ALA A 26 -6.720 15.430 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.194 16.713 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.453 17.218 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.054 17.247 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.333 15.837 -3.195 1.00 0.00 H new ATOM 450 N GLU A 27 -9.271 13.920 -2.638 1.00 0.00 N ATOM 451 CA GLU A 27 -10.224 12.943 -3.229 1.00 0.00 C ATOM 452 C GLU A 27 -10.235 11.678 -2.370 1.00 0.00 C ATOM 453 O GLU A 27 -9.415 10.802 -2.539 1.00 0.00 O ATOM 454 CB GLU A 27 -9.677 12.643 -4.625 1.00 0.00 C ATOM 455 CG GLU A 27 -10.755 12.938 -5.670 1.00 0.00 C ATOM 456 CD GLU A 27 -10.420 14.244 -6.394 1.00 0.00 C ATOM 457 OE1 GLU A 27 -10.484 15.284 -5.759 1.00 0.00 O ATOM 458 OE2 GLU A 27 -10.105 14.182 -7.570 1.00 0.00 O ATOM 0 H GLU A 27 -8.289 13.646 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.245 13.321 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.792 13.250 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.369 11.600 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.817 12.118 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.730 13.016 -5.190 1.00 0.00 H new ATOM 465 N GLN A 28 -11.147 11.590 -1.438 1.00 0.00 N ATOM 466 CA GLN A 28 -11.203 10.390 -0.550 1.00 0.00 C ATOM 467 C GLN A 28 -10.903 9.114 -1.341 1.00 0.00 C ATOM 468 O GLN A 28 -11.784 8.507 -1.917 1.00 0.00 O ATOM 469 CB GLN A 28 -12.635 10.362 -0.016 1.00 0.00 C ATOM 470 CG GLN A 28 -12.845 9.095 0.816 1.00 0.00 C ATOM 471 CD GLN A 28 -12.620 9.413 2.296 1.00 0.00 C ATOM 472 OE1 GLN A 28 -11.495 9.468 2.753 1.00 0.00 O ATOM 473 NE2 GLN A 28 -13.649 9.624 3.070 1.00 0.00 N ATOM 0 H GLN A 28 -11.857 12.298 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.464 10.441 0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.824 11.246 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.344 10.388 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.854 8.711 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.155 8.316 0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.593 9.578 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.509 9.835 4.058 1.00 0.00 H new ATOM 482 N THR A 29 -9.663 8.701 -1.373 1.00 0.00 N ATOM 483 CA THR A 29 -9.313 7.461 -2.127 1.00 0.00 C ATOM 484 C THR A 29 -8.298 6.627 -1.343 1.00 0.00 C ATOM 485 O THR A 29 -7.138 6.563 -1.701 1.00 0.00 O ATOM 486 CB THR A 29 -8.703 7.947 -3.443 1.00 0.00 C ATOM 487 OG1 THR A 29 -9.508 8.986 -3.982 1.00 0.00 O ATOM 488 CG2 THR A 29 -8.638 6.786 -4.437 1.00 0.00 C ATOM 0 H THR A 29 -8.881 9.166 -0.912 1.00 0.00 H new ATOM 0 HA THR A 29 -10.184 6.827 -2.292 1.00 0.00 H new ATOM 0 HB THR A 29 -7.697 8.323 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.347 9.816 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.203 7.133 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.021 5.988 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.644 6.408 -4.622 1.00 0.00 H new ATOM 496 N PRO A 30 -8.775 6.008 -0.297 1.00 0.00 N ATOM 497 CA PRO A 30 -7.906 5.157 0.547 1.00 0.00 C ATOM 498 C PRO A 30 -7.686 3.799 -0.128 1.00 0.00 C ATOM 499 O PRO A 30 -8.226 2.794 0.290 1.00 0.00 O ATOM 500 CB PRO A 30 -8.707 4.995 1.834 1.00 0.00 C ATOM 501 CG PRO A 30 -10.138 5.191 1.436 1.00 0.00 C ATOM 502 CD PRO A 30 -10.155 6.051 0.196 1.00 0.00 C ATOM 0 HA PRO A 30 -6.917 5.583 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.552 4.009 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.403 5.728 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.616 4.231 1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.697 5.669 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.854 5.665 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.464 7.071 0.424 1.00 0.00 H new ATOM 510 N SER A 31 -6.902 3.762 -1.171 1.00 0.00 N ATOM 511 CA SER A 31 -6.658 2.468 -1.871 1.00 0.00 C ATOM 512 C SER A 31 -5.409 1.791 -1.306 1.00 0.00 C ATOM 513 O SER A 31 -4.407 2.428 -1.056 1.00 0.00 O ATOM 514 CB SER A 31 -6.450 2.843 -3.337 1.00 0.00 C ATOM 515 OG SER A 31 -5.070 3.101 -3.564 1.00 0.00 O ATOM 0 H SER A 31 -6.421 4.569 -1.568 1.00 0.00 H new ATOM 0 HA SER A 31 -7.483 1.767 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.792 2.035 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.042 3.723 -3.587 1.00 0.00 H new ATOM 0 HG SER A 31 -4.608 3.189 -2.704 1.00 0.00 H new ATOM 521 N CYS A 32 -5.460 0.504 -1.103 1.00 0.00 N ATOM 522 CA CYS A 32 -4.270 -0.205 -0.555 1.00 0.00 C ATOM 523 C CYS A 32 -3.703 -1.172 -1.597 1.00 0.00 C ATOM 524 O CYS A 32 -4.275 -2.206 -1.884 1.00 0.00 O ATOM 525 CB CYS A 32 -4.782 -0.959 0.673 1.00 0.00 C ATOM 526 SG CYS A 32 -3.592 -2.237 1.154 1.00 0.00 S ATOM 0 H CYS A 32 -6.271 -0.086 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.464 0.481 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.936 -0.264 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.748 -1.414 0.454 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.090 -2.954 2.117 1.00 0.00 H new ATOM 531 N VAL A 33 -2.577 -0.839 -2.154 1.00 0.00 N ATOM 532 CA VAL A 33 -1.948 -1.727 -3.174 1.00 0.00 C ATOM 533 C VAL A 33 -0.933 -2.658 -2.503 1.00 0.00 C ATOM 534 O VAL A 33 0.058 -2.218 -1.952 1.00 0.00 O ATOM 535 CB VAL A 33 -1.245 -0.778 -4.145 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.637 -1.581 -5.296 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.261 0.222 -4.705 1.00 0.00 C ATOM 0 H VAL A 33 -2.059 0.015 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.677 -2.360 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.455 -0.242 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.136 -0.904 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.085 -2.295 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.426 -2.118 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.761 0.899 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.050 -0.316 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.696 0.796 -3.887 1.00 0.00 H new ATOM 547 N CYS A 34 -1.172 -3.939 -2.539 1.00 0.00 N ATOM 548 CA CYS A 34 -0.222 -4.897 -1.899 1.00 0.00 C ATOM 549 C CYS A 34 0.930 -5.212 -2.856 1.00 0.00 C ATOM 550 O CYS A 34 0.814 -5.048 -4.054 1.00 0.00 O ATOM 551 CB CYS A 34 -1.045 -6.158 -1.621 1.00 0.00 C ATOM 552 SG CYS A 34 -2.649 -5.702 -0.914 1.00 0.00 S ATOM 0 H CYS A 34 -1.984 -4.366 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 34 0.218 -4.492 -0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.191 -6.719 -2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.507 -6.810 -0.933 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.602 -5.820 0.380 1.00 0.00 H new ATOM 557 N ASP A 35 2.042 -5.667 -2.342 1.00 0.00 N ATOM 558 CA ASP A 35 3.188 -5.992 -3.238 1.00 0.00 C ATOM 559 C ASP A 35 2.698 -6.809 -4.439 1.00 0.00 C ATOM 560 O ASP A 35 2.147 -7.880 -4.289 1.00 0.00 O ATOM 561 CB ASP A 35 4.145 -6.816 -2.376 1.00 0.00 C ATOM 562 CG ASP A 35 5.394 -5.989 -2.067 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.245 -4.818 -1.760 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.480 -6.542 -2.142 1.00 0.00 O ATOM 0 H ASP A 35 2.205 -5.826 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 35 3.671 -5.100 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.653 -7.112 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.422 -7.733 -2.896 1.00 0.00 H new ATOM 569 N GLU A 36 2.889 -6.308 -5.628 1.00 0.00 N ATOM 570 CA GLU A 36 2.428 -7.051 -6.839 1.00 0.00 C ATOM 571 C GLU A 36 2.713 -8.548 -6.692 1.00 0.00 C ATOM 572 O GLU A 36 1.832 -9.375 -6.833 1.00 0.00 O ATOM 573 CB GLU A 36 3.238 -6.463 -7.994 1.00 0.00 C ATOM 574 CG GLU A 36 2.885 -7.197 -9.290 1.00 0.00 C ATOM 575 CD GLU A 36 2.909 -6.210 -10.459 1.00 0.00 C ATOM 576 OE1 GLU A 36 3.981 -5.984 -10.995 1.00 0.00 O ATOM 577 OE2 GLU A 36 1.855 -5.697 -10.798 1.00 0.00 O ATOM 0 H GLU A 36 3.345 -5.415 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 36 1.354 -6.951 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.025 -5.399 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.304 -6.557 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.595 -8.005 -9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.898 -7.653 -9.205 1.00 0.00 H new ATOM 584 N GLY A 37 3.936 -8.906 -6.417 1.00 0.00 N ATOM 585 CA GLY A 37 4.275 -10.350 -6.268 1.00 0.00 C ATOM 586 C GLY A 37 4.111 -10.776 -4.807 1.00 0.00 C ATOM 587 O GLY A 37 5.011 -11.333 -4.212 1.00 0.00 O ATOM 0 H GLY A 37 4.716 -8.262 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.628 -10.952 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.300 -10.527 -6.595 1.00 0.00 H new ATOM 591 N TYR A 38 2.973 -10.519 -4.223 1.00 0.00 N ATOM 592 CA TYR A 38 2.765 -10.915 -2.799 1.00 0.00 C ATOM 593 C TYR A 38 1.608 -11.917 -2.679 1.00 0.00 C ATOM 594 O TYR A 38 0.859 -12.132 -3.612 1.00 0.00 O ATOM 595 CB TYR A 38 2.449 -9.602 -2.060 1.00 0.00 C ATOM 596 CG TYR A 38 0.952 -9.369 -1.989 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.197 -9.268 -3.165 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.323 -9.261 -0.743 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.186 -9.057 -3.093 1.00 0.00 C ATOM 600 CE2 TYR A 38 -1.060 -9.052 -0.672 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.813 -8.950 -1.846 1.00 0.00 C ATOM 602 OH TYR A 38 -3.176 -8.743 -1.776 1.00 0.00 O ATOM 0 H TYR A 38 2.181 -10.054 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 38 3.639 -11.411 -2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.864 -9.638 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.927 -8.767 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.681 -9.353 -4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.904 -9.339 0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.768 -8.977 -3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.545 -8.970 0.289 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.353 -7.821 -1.494 1.00 0.00 H new ATOM 612 N ILE A 39 1.457 -12.518 -1.532 1.00 0.00 N ATOM 613 CA ILE A 39 0.350 -13.496 -1.334 1.00 0.00 C ATOM 614 C ILE A 39 -0.202 -13.374 0.090 1.00 0.00 C ATOM 615 O ILE A 39 0.539 -13.341 1.055 1.00 0.00 O ATOM 616 CB ILE A 39 0.979 -14.871 -1.554 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.852 -14.842 -2.811 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.126 -15.915 -1.730 1.00 0.00 C ATOM 619 CD1 ILE A 39 3.265 -14.388 -2.442 1.00 0.00 C ATOM 0 H ILE A 39 2.056 -12.373 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.482 -13.324 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 39 1.593 -15.129 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.884 -15.832 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.422 -14.165 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.322 -16.896 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.749 -15.940 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.739 -15.654 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.886 -14.368 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.224 -13.390 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.693 -15.083 -1.719 1.00 0.00 H new ATOM 631 N GLY A 40 -1.499 -13.302 0.226 1.00 0.00 N ATOM 632 CA GLY A 40 -2.102 -13.178 1.584 1.00 0.00 C ATOM 633 C GLY A 40 -3.187 -12.099 1.560 1.00 0.00 C ATOM 634 O GLY A 40 -3.011 -11.041 0.988 1.00 0.00 O ATOM 0 H GLY A 40 -2.167 -13.324 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.529 -14.132 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.334 -12.921 2.313 1.00 0.00 H new ATOM 638 N ALA A 41 -4.309 -12.358 2.173 1.00 0.00 N ATOM 639 CA ALA A 41 -5.405 -11.345 2.182 1.00 0.00 C ATOM 640 C ALA A 41 -4.914 -10.036 2.809 1.00 0.00 C ATOM 641 O ALA A 41 -5.294 -8.958 2.395 1.00 0.00 O ATOM 642 CB ALA A 41 -6.514 -11.965 3.033 1.00 0.00 C ATOM 0 H ALA A 41 -4.515 -13.226 2.668 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.750 -11.104 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.358 -11.278 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.838 -12.903 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.137 -12.157 4.038 1.00 0.00 H new ATOM 648 N ARG A 42 -4.075 -10.121 3.804 1.00 0.00 N ATOM 649 CA ARG A 42 -3.563 -8.881 4.455 1.00 0.00 C ATOM 650 C ARG A 42 -2.080 -8.683 4.127 1.00 0.00 C ATOM 651 O ARG A 42 -1.370 -7.971 4.811 1.00 0.00 O ATOM 652 CB ARG A 42 -3.755 -9.114 5.955 1.00 0.00 C ATOM 653 CG ARG A 42 -5.115 -8.563 6.387 1.00 0.00 C ATOM 654 CD ARG A 42 -5.826 -9.592 7.271 1.00 0.00 C ATOM 655 NE ARG A 42 -5.506 -9.185 8.668 1.00 0.00 N ATOM 656 CZ ARG A 42 -6.031 -8.100 9.169 1.00 0.00 C ATOM 657 NH1 ARG A 42 -7.327 -8.000 9.296 1.00 0.00 N ATOM 658 NH2 ARG A 42 -5.262 -7.116 9.546 1.00 0.00 N ATOM 0 H ARG A 42 -3.722 -10.994 4.195 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.085 -7.988 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.694 -10.179 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.958 -8.625 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.984 -7.628 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.723 -8.338 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.902 -9.588 7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.473 -10.602 7.063 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.876 -9.755 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.929 -8.770 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.737 -7.152 9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.250 -7.194 9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.673 -6.269 9.937 1.00 0.00 H new ATOM 672 N CYS A 43 -1.606 -9.311 3.085 1.00 0.00 N ATOM 673 CA CYS A 43 -0.169 -9.163 2.712 1.00 0.00 C ATOM 674 C CYS A 43 0.713 -9.729 3.827 1.00 0.00 C ATOM 675 O CYS A 43 1.342 -8.998 4.567 1.00 0.00 O ATOM 676 CB CYS A 43 0.063 -7.655 2.560 1.00 0.00 C ATOM 677 SG CYS A 43 -1.326 -6.898 1.679 1.00 0.00 S ATOM 0 H CYS A 43 -2.152 -9.920 2.476 1.00 0.00 H new ATOM 0 HA CYS A 43 0.076 -9.699 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.175 -7.196 3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.990 -7.475 2.016 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.988 -6.129 2.492 1.00 0.00 H new ATOM 682 N GLU A 44 0.755 -11.027 3.960 1.00 0.00 N ATOM 683 CA GLU A 44 1.584 -11.639 5.038 1.00 0.00 C ATOM 684 C GLU A 44 2.828 -12.317 4.454 1.00 0.00 C ATOM 685 O GLU A 44 3.903 -12.239 5.016 1.00 0.00 O ATOM 686 CB GLU A 44 0.673 -12.676 5.694 1.00 0.00 C ATOM 687 CG GLU A 44 0.885 -12.658 7.209 1.00 0.00 C ATOM 688 CD GLU A 44 0.328 -11.355 7.787 1.00 0.00 C ATOM 689 OE1 GLU A 44 -0.162 -10.549 7.014 1.00 0.00 O ATOM 690 OE2 GLU A 44 0.400 -11.188 8.993 1.00 0.00 O ATOM 0 H GLU A 44 0.252 -11.689 3.370 1.00 0.00 H new ATOM 0 HA GLU A 44 1.941 -10.892 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.369 -12.460 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.890 -13.668 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.388 -13.513 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.947 -12.746 7.439 1.00 0.00 H new ATOM 697 N ARG A 45 2.698 -12.989 3.341 1.00 0.00 N ATOM 698 CA ARG A 45 3.889 -13.670 2.752 1.00 0.00 C ATOM 699 C ARG A 45 4.199 -13.105 1.365 1.00 0.00 C ATOM 700 O ARG A 45 3.421 -12.371 0.794 1.00 0.00 O ATOM 701 CB ARG A 45 3.497 -15.145 2.660 1.00 0.00 C ATOM 702 CG ARG A 45 2.320 -15.302 1.696 1.00 0.00 C ATOM 703 CD ARG A 45 2.288 -16.736 1.161 1.00 0.00 C ATOM 704 NE ARG A 45 1.929 -17.576 2.338 1.00 0.00 N ATOM 705 CZ ARG A 45 1.988 -18.878 2.253 1.00 0.00 C ATOM 706 NH1 ARG A 45 1.796 -19.466 1.103 1.00 0.00 N ATOM 707 NH2 ARG A 45 2.238 -19.590 3.317 1.00 0.00 N ATOM 0 H ARG A 45 1.829 -13.096 2.818 1.00 0.00 H new ATOM 0 HA ARG A 45 4.785 -13.524 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.345 -15.737 2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.226 -15.522 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.385 -15.072 2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.415 -14.596 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.555 -16.843 0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.255 -17.026 0.749 1.00 0.00 H new ATOM 0 HE ARG A 45 1.637 -17.134 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.600 -18.909 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.842 -20.483 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.387 -19.130 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.284 -20.607 3.251 1.00 0.00 H new ATOM 721 N VAL A 46 5.337 -13.441 0.821 1.00 0.00 N ATOM 722 CA VAL A 46 5.703 -12.925 -0.529 1.00 0.00 C ATOM 723 C VAL A 46 5.959 -14.090 -1.488 1.00 0.00 C ATOM 724 O VAL A 46 6.173 -15.212 -1.074 1.00 0.00 O ATOM 725 CB VAL A 46 6.983 -12.118 -0.307 1.00 0.00 C ATOM 726 CG1 VAL A 46 8.055 -13.021 0.305 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.483 -11.573 -1.647 1.00 0.00 C ATOM 0 H VAL A 46 6.030 -14.051 1.254 1.00 0.00 H new ATOM 0 HA VAL A 46 4.911 -12.320 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 46 6.775 -11.288 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.968 -12.446 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.701 -13.411 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.261 -13.851 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.395 -10.998 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.690 -12.403 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.720 -10.930 -2.086 1.00 0.00 H new ATOM 737 N ASP A 47 5.940 -13.834 -2.767 1.00 0.00 N ATOM 738 CA ASP A 47 6.182 -14.927 -3.751 1.00 0.00 C ATOM 739 C ASP A 47 7.646 -14.922 -4.199 1.00 0.00 C ATOM 740 O ASP A 47 8.432 -15.755 -3.793 1.00 0.00 O ATOM 741 CB ASP A 47 5.258 -14.612 -4.927 1.00 0.00 C ATOM 742 CG ASP A 47 5.401 -15.698 -5.994 1.00 0.00 C ATOM 743 OD1 ASP A 47 6.490 -16.231 -6.129 1.00 0.00 O ATOM 744 OD2 ASP A 47 4.417 -15.980 -6.659 1.00 0.00 O ATOM 0 H ASP A 47 5.767 -12.915 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 47 5.984 -15.913 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.224 -14.556 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.508 -13.638 -5.348 1.00 0.00 H new ATOM 749 N LEU A 48 8.018 -13.989 -5.033 1.00 0.00 N ATOM 750 CA LEU A 48 9.430 -13.934 -5.506 1.00 0.00 C ATOM 751 C LEU A 48 9.948 -12.492 -5.465 1.00 0.00 C ATOM 752 O LEU A 48 9.210 -11.550 -5.675 1.00 0.00 O ATOM 753 CB LEU A 48 9.384 -14.444 -6.946 1.00 0.00 C ATOM 754 CG LEU A 48 10.716 -15.105 -7.292 1.00 0.00 C ATOM 755 CD1 LEU A 48 10.512 -16.612 -7.456 1.00 0.00 C ATOM 756 CD2 LEU A 48 11.253 -14.518 -8.600 1.00 0.00 C ATOM 0 H LEU A 48 7.406 -13.264 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 48 10.097 -14.529 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.569 -15.158 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.186 -13.618 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 48 11.431 -14.921 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.463 -17.083 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.130 -17.031 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.797 -16.797 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.204 -14.990 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.538 -14.701 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.400 -13.444 -8.484 1.00 0.00 H new ATOM 768 N PHE A 49 11.213 -12.316 -5.196 1.00 0.00 N ATOM 769 CA PHE A 49 11.779 -10.936 -5.141 1.00 0.00 C ATOM 770 C PHE A 49 11.405 -10.161 -6.406 1.00 0.00 C ATOM 771 O PHE A 49 11.078 -8.991 -6.356 1.00 0.00 O ATOM 772 CB PHE A 49 13.295 -11.130 -5.061 1.00 0.00 C ATOM 773 CG PHE A 49 13.817 -10.501 -3.792 1.00 0.00 C ATOM 774 CD1 PHE A 49 13.514 -9.167 -3.494 1.00 0.00 C ATOM 775 CD2 PHE A 49 14.608 -11.251 -2.913 1.00 0.00 C ATOM 776 CE1 PHE A 49 14.000 -8.584 -2.318 1.00 0.00 C ATOM 777 CE2 PHE A 49 15.094 -10.668 -1.737 1.00 0.00 C ATOM 778 CZ PHE A 49 14.790 -9.335 -1.439 1.00 0.00 C ATOM 0 H PHE A 49 11.879 -13.066 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 49 11.396 -10.367 -4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.538 -12.192 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 49 13.776 -10.678 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.905 -8.587 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 49 14.843 -12.280 -3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.766 -7.555 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 49 15.704 -11.247 -1.059 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.165 -8.886 -0.531 1.00 0.00 H new ATOM 788 N TYR A 50 11.450 -10.803 -7.542 1.00 0.00 N ATOM 789 CA TYR A 50 11.097 -10.103 -8.810 1.00 0.00 C ATOM 790 C TYR A 50 9.576 -10.040 -8.975 1.00 0.00 C ATOM 791 O TYR A 50 9.004 -11.033 -9.395 1.00 0.00 O ATOM 792 CB TYR A 50 11.721 -10.951 -9.918 1.00 0.00 C ATOM 793 CG TYR A 50 13.215 -10.731 -9.941 1.00 0.00 C ATOM 794 CD1 TYR A 50 13.737 -9.529 -10.434 1.00 0.00 C ATOM 795 CD2 TYR A 50 14.076 -11.727 -9.469 1.00 0.00 C ATOM 796 CE1 TYR A 50 15.122 -9.325 -10.456 1.00 0.00 C ATOM 797 CE2 TYR A 50 15.461 -11.523 -9.490 1.00 0.00 C ATOM 798 CZ TYR A 50 15.985 -10.322 -9.984 1.00 0.00 C ATOM 799 OH TYR A 50 17.350 -10.120 -10.005 1.00 0.00 O ATOM 800 OXT TYR A 50 9.010 -9.001 -8.679 1.00 0.00 O ATOM 0 H TYR A 50 11.716 -11.782 -7.647 1.00 0.00 H new ATOM 0 HA TYR A 50 11.461 -9.076 -8.829 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.501 -12.005 -9.751 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.289 -10.684 -10.882 1.00 0.00 H new ATOM 0 HD1 TYR A 50 13.072 -8.760 -10.797 1.00 0.00 H new ATOM 0 HD2 TYR A 50 13.672 -12.654 -9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 50 15.525 -8.398 -10.837 1.00 0.00 H new ATOM 0 HE2 TYR A 50 16.125 -12.292 -9.125 1.00 0.00 H new ATOM 0 HH TYR A 50 17.803 -10.909 -9.641 1.00 0.00 H new TER 810 TYR A 50