USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00191 X(o=-0.0019,f=0) USER MOD Single : A 9 SER OG : rot 91:sc= 0.179 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 165:sc= 0.257 USER MOD Single : A 30 ASN : amide:sc= -2.99 K(o=-3,f=-7.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -106:sc=-0.00116 (180deg=-0.212) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.252 F(o=-1.8,f=-0.25) USER MOD Single : A 62 HIS : no HE2:sc= -9.48! C(o=-9.5!,f=-14!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 71 SER OG : rot 180:sc= 0.203 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0198) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.435 -22.910 -16.102 1.00 0.00 N ATOM 2 CA SER A 1 4.146 -21.490 -15.752 1.00 0.00 C ATOM 3 C SER A 1 3.207 -20.891 -16.793 1.00 0.00 C ATOM 4 O SER A 1 3.578 -20.708 -17.953 1.00 0.00 O ATOM 5 CB SER A 1 5.452 -20.696 -15.725 1.00 0.00 C ATOM 6 OG SER A 1 5.190 -19.377 -15.263 1.00 0.00 O ATOM 0 H1 SER A 1 5.076 -23.319 -15.392 1.00 0.00 H new ATOM 0 H2 SER A 1 3.547 -23.451 -16.120 1.00 0.00 H new ATOM 0 H3 SER A 1 4.884 -22.952 -17.039 1.00 0.00 H new ATOM 0 HA SER A 1 3.674 -21.446 -14.770 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.175 -21.185 -15.073 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.892 -20.664 -16.722 1.00 0.00 H new ATOM 0 HG SER A 1 6.026 -18.865 -15.243 1.00 0.00 H new ATOM 14 N LYS A 2 1.985 -20.587 -16.365 1.00 0.00 N ATOM 15 CA LYS A 2 0.994 -20.006 -17.267 1.00 0.00 C ATOM 16 C LYS A 2 -0.196 -19.469 -16.478 1.00 0.00 C ATOM 17 O LYS A 2 -1.157 -20.191 -16.209 1.00 0.00 O ATOM 18 CB LYS A 2 0.499 -21.055 -18.265 1.00 0.00 C ATOM 19 CG LYS A 2 -0.052 -20.356 -19.510 1.00 0.00 C ATOM 20 CD LYS A 2 -0.162 -21.364 -20.655 1.00 0.00 C ATOM 21 CE LYS A 2 0.086 -20.653 -21.986 1.00 0.00 C ATOM 22 NZ LYS A 2 0.328 -21.667 -23.053 1.00 0.00 N ATOM 0 H LYS A 2 1.659 -20.731 -15.409 1.00 0.00 H new ATOM 0 HA LYS A 2 1.470 -19.187 -17.807 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.315 -21.723 -18.541 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.276 -21.670 -17.808 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.030 -19.925 -19.295 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.602 -19.533 -19.798 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.563 -22.166 -20.518 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.150 -21.824 -20.655 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.773 -20.034 -22.246 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.945 -19.987 -21.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.497 -21.184 -23.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.160 -22.240 -22.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.504 -22.285 -23.140 1.00 0.00 H new ATOM 36 N SER A 3 -0.119 -18.194 -16.109 1.00 0.00 N ATOM 37 CA SER A 3 -1.197 -17.566 -15.348 1.00 0.00 C ATOM 38 C SER A 3 -1.683 -16.304 -16.056 1.00 0.00 C ATOM 39 O SER A 3 -2.097 -15.337 -15.417 1.00 0.00 O ATOM 40 CB SER A 3 -0.715 -17.196 -13.945 1.00 0.00 C ATOM 41 OG SER A 3 -0.042 -18.309 -13.372 1.00 0.00 O ATOM 0 H SER A 3 0.668 -17.581 -16.321 1.00 0.00 H new ATOM 0 HA SER A 3 -2.017 -18.280 -15.273 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.046 -16.337 -13.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.561 -16.907 -13.321 1.00 0.00 H new ATOM 0 HG SER A 3 0.270 -18.075 -12.473 1.00 0.00 H new ATOM 47 N MET A 4 -1.630 -16.326 -17.385 1.00 0.00 N ATOM 48 CA MET A 4 -2.067 -15.179 -18.174 1.00 0.00 C ATOM 49 C MET A 4 -3.396 -15.481 -18.860 1.00 0.00 C ATOM 50 O MET A 4 -3.430 -15.997 -19.978 1.00 0.00 O ATOM 51 CB MET A 4 -1.025 -14.830 -19.237 1.00 0.00 C ATOM 52 CG MET A 4 0.259 -14.354 -18.557 1.00 0.00 C ATOM 53 SD MET A 4 1.520 -14.020 -19.814 1.00 0.00 S ATOM 54 CE MET A 4 1.838 -12.296 -19.362 1.00 0.00 C ATOM 0 H MET A 4 -1.292 -17.117 -17.933 1.00 0.00 H new ATOM 0 HA MET A 4 -2.190 -14.333 -17.498 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.818 -15.701 -19.858 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.410 -14.052 -19.897 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.063 -13.453 -17.975 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.617 -15.112 -17.860 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.600 -11.881 -20.022 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.919 -11.718 -19.461 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.187 -12.249 -18.330 1.00 0.00 H new ATOM 64 N GLN A 5 -4.489 -15.153 -18.178 1.00 0.00 N ATOM 65 CA GLN A 5 -5.819 -15.392 -18.730 1.00 0.00 C ATOM 66 C GLN A 5 -6.874 -14.639 -17.924 1.00 0.00 C ATOM 67 O GLN A 5 -8.004 -15.100 -17.768 1.00 0.00 O ATOM 68 CB GLN A 5 -6.149 -16.887 -18.708 1.00 0.00 C ATOM 69 CG GLN A 5 -5.963 -17.430 -17.291 1.00 0.00 C ATOM 70 CD GLN A 5 -5.879 -18.953 -17.337 1.00 0.00 C ATOM 71 OE1 GLN A 5 -6.799 -19.644 -16.901 1.00 0.00 O ATOM 72 NE2 GLN A 5 -4.820 -19.520 -17.845 1.00 0.00 N ATOM 0 H GLN A 5 -4.482 -14.725 -17.252 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.824 -15.035 -19.760 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.175 -17.049 -19.039 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.502 -17.423 -19.402 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.056 -17.018 -16.848 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.795 -17.120 -16.659 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.058 -18.946 -18.206 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.754 -20.537 -17.881 1.00 0.00 H new ATOM 81 N VAL A 6 -6.490 -13.471 -17.415 1.00 0.00 N ATOM 82 CA VAL A 6 -7.409 -12.655 -16.626 1.00 0.00 C ATOM 83 C VAL A 6 -7.219 -11.170 -16.951 1.00 0.00 C ATOM 84 O VAL A 6 -6.188 -10.779 -17.500 1.00 0.00 O ATOM 85 CB VAL A 6 -7.171 -12.874 -15.133 1.00 0.00 C ATOM 86 CG1 VAL A 6 -7.544 -14.310 -14.761 1.00 0.00 C ATOM 87 CG2 VAL A 6 -5.696 -12.630 -14.810 1.00 0.00 C ATOM 0 H VAL A 6 -5.559 -13.071 -17.533 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.426 -12.954 -16.878 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.788 -12.180 -14.562 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.374 -14.466 -13.696 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.595 -14.484 -14.990 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.929 -15.005 -15.332 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.526 -12.786 -13.745 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.079 -13.323 -15.381 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.430 -11.606 -15.073 1.00 0.00 H new ATOM 97 N PRO A 7 -8.206 -10.320 -16.620 1.00 0.00 N ATOM 98 CA PRO A 7 -8.117 -8.875 -16.893 1.00 0.00 C ATOM 99 C PRO A 7 -7.335 -8.115 -15.820 1.00 0.00 C ATOM 100 O PRO A 7 -6.188 -7.724 -16.034 1.00 0.00 O ATOM 101 CB PRO A 7 -9.585 -8.462 -16.917 1.00 0.00 C ATOM 102 CG PRO A 7 -10.358 -9.494 -16.103 1.00 0.00 C ATOM 103 CD PRO A 7 -9.466 -10.732 -15.958 1.00 0.00 C ATOM 0 HA PRO A 7 -7.577 -8.650 -17.813 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.711 -7.465 -16.494 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.957 -8.423 -17.941 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.618 -9.093 -15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.293 -9.752 -16.600 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.305 -10.992 -14.912 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.907 -11.605 -16.439 1.00 0.00 H new ATOM 111 N PHE A 8 -7.967 -7.907 -14.669 1.00 0.00 N ATOM 112 CA PHE A 8 -7.315 -7.187 -13.576 1.00 0.00 C ATOM 113 C PHE A 8 -7.350 -8.019 -12.299 1.00 0.00 C ATOM 114 O PHE A 8 -7.948 -9.094 -12.256 1.00 0.00 O ATOM 115 CB PHE A 8 -8.008 -5.839 -13.310 1.00 0.00 C ATOM 116 CG PHE A 8 -8.348 -5.138 -14.615 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.414 -5.090 -15.662 1.00 0.00 C ATOM 118 CD2 PHE A 8 -9.600 -4.532 -14.771 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.736 -4.439 -16.859 1.00 0.00 C ATOM 120 CE2 PHE A 8 -9.921 -3.881 -15.969 1.00 0.00 C ATOM 121 CZ PHE A 8 -8.990 -3.834 -17.012 1.00 0.00 C ATOM 0 H PHE A 8 -8.917 -8.221 -14.468 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.282 -7.005 -13.872 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.918 -6.001 -12.732 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.357 -5.203 -12.710 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.447 -5.555 -15.544 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.320 -4.566 -13.966 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.017 -4.403 -17.664 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.888 -3.415 -16.088 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.238 -3.331 -17.935 1.00 0.00 H new ATOM 131 N SER A 9 -6.701 -7.507 -11.256 1.00 0.00 N ATOM 132 CA SER A 9 -6.662 -8.209 -9.975 1.00 0.00 C ATOM 133 C SER A 9 -6.144 -7.284 -8.878 1.00 0.00 C ATOM 134 O SER A 9 -5.583 -6.224 -9.152 1.00 0.00 O ATOM 135 CB SER A 9 -5.752 -9.433 -10.064 1.00 0.00 C ATOM 136 OG SER A 9 -4.401 -9.006 -10.186 1.00 0.00 O ATOM 0 H SER A 9 -6.200 -6.619 -11.271 1.00 0.00 H new ATOM 0 HA SER A 9 -7.676 -8.528 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.870 -10.054 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.031 -10.046 -10.921 1.00 0.00 H new ATOM 0 HG SER A 9 -4.002 -8.925 -9.295 1.00 0.00 H new ATOM 142 N ARG A 10 -6.341 -7.699 -7.630 1.00 0.00 N ATOM 143 CA ARG A 10 -5.892 -6.901 -6.493 1.00 0.00 C ATOM 144 C ARG A 10 -4.392 -7.087 -6.271 1.00 0.00 C ATOM 145 O ARG A 10 -3.586 -6.225 -6.621 1.00 0.00 O ATOM 146 CB ARG A 10 -6.648 -7.305 -5.222 1.00 0.00 C ATOM 147 CG ARG A 10 -8.024 -6.641 -5.213 1.00 0.00 C ATOM 148 CD ARG A 10 -9.058 -7.590 -5.822 1.00 0.00 C ATOM 149 NE ARG A 10 -10.348 -7.451 -5.144 1.00 0.00 N ATOM 150 CZ ARG A 10 -11.126 -6.370 -5.303 1.00 0.00 C ATOM 151 NH1 ARG A 10 -10.762 -5.380 -6.081 1.00 0.00 N ATOM 152 NH2 ARG A 10 -12.267 -6.303 -4.671 1.00 0.00 N ATOM 0 H ARG A 10 -6.803 -8.574 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.096 -5.853 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.755 -8.389 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.083 -7.006 -4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.308 -6.385 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.993 -5.710 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.175 -7.376 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.707 -8.619 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.666 -8.201 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.873 -5.423 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.368 -4.567 -6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.559 -7.068 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.866 -5.485 -4.785 1.00 0.00 H new ATOM 166 N CYS A 11 -4.029 -8.224 -5.686 1.00 0.00 N ATOM 167 CA CYS A 11 -2.624 -8.521 -5.420 1.00 0.00 C ATOM 168 C CYS A 11 -1.872 -8.705 -6.732 1.00 0.00 C ATOM 169 O CYS A 11 -2.449 -8.612 -7.817 1.00 0.00 O ATOM 170 CB CYS A 11 -2.468 -9.806 -4.592 1.00 0.00 C ATOM 171 SG CYS A 11 -3.605 -9.796 -3.179 1.00 0.00 S ATOM 0 H CYS A 11 -4.681 -8.950 -5.389 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.215 -7.681 -4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.666 -10.675 -5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.441 -9.895 -4.239 1.00 0.00 H new ATOM 176 N CYS A 12 -0.579 -8.976 -6.618 1.00 0.00 N ATOM 177 CA CYS A 12 0.258 -9.184 -7.796 1.00 0.00 C ATOM 178 C CYS A 12 1.308 -10.252 -7.511 1.00 0.00 C ATOM 179 O CYS A 12 1.490 -10.677 -6.371 1.00 0.00 O ATOM 180 CB CYS A 12 0.977 -7.892 -8.184 1.00 0.00 C ATOM 181 SG CYS A 12 -0.230 -6.566 -8.443 1.00 0.00 S ATOM 0 H CYS A 12 -0.087 -9.057 -5.728 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.389 -9.501 -8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.680 -7.608 -7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.559 -8.048 -9.093 1.00 0.00 H new ATOM 186 N PHE A 13 2.009 -10.670 -8.561 1.00 0.00 N ATOM 187 CA PHE A 13 3.055 -11.676 -8.410 1.00 0.00 C ATOM 188 C PHE A 13 4.344 -11.007 -7.953 1.00 0.00 C ATOM 189 O PHE A 13 5.046 -11.503 -7.073 1.00 0.00 O ATOM 190 CB PHE A 13 3.312 -12.391 -9.740 1.00 0.00 C ATOM 191 CG PHE A 13 2.515 -13.673 -9.791 1.00 0.00 C ATOM 192 CD1 PHE A 13 2.889 -14.763 -8.996 1.00 0.00 C ATOM 193 CD2 PHE A 13 1.400 -13.772 -10.634 1.00 0.00 C ATOM 194 CE1 PHE A 13 2.150 -15.951 -9.045 1.00 0.00 C ATOM 195 CE2 PHE A 13 0.661 -14.959 -10.681 1.00 0.00 C ATOM 196 CZ PHE A 13 1.037 -16.049 -9.886 1.00 0.00 C ATOM 0 H PHE A 13 1.874 -10.333 -9.514 1.00 0.00 H new ATOM 0 HA PHE A 13 2.727 -12.406 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.032 -11.744 -10.572 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.375 -12.608 -9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.747 -14.687 -8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.111 -12.932 -11.248 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.440 -16.792 -8.433 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.199 -15.035 -11.330 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.467 -16.966 -9.922 1.00 0.00 H new ATOM 206 N SER A 14 4.640 -9.868 -8.570 1.00 0.00 N ATOM 207 CA SER A 14 5.844 -9.119 -8.234 1.00 0.00 C ATOM 208 C SER A 14 5.475 -7.734 -7.713 1.00 0.00 C ATOM 209 O SER A 14 4.744 -6.987 -8.364 1.00 0.00 O ATOM 210 CB SER A 14 6.727 -8.961 -9.464 1.00 0.00 C ATOM 211 OG SER A 14 7.586 -10.087 -9.577 1.00 0.00 O ATOM 0 H SER A 14 4.067 -9.446 -9.300 1.00 0.00 H new ATOM 0 HA SER A 14 6.384 -9.670 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.111 -8.869 -10.358 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.316 -8.047 -9.387 1.00 0.00 H new ATOM 0 HG SER A 14 8.154 -9.987 -10.370 1.00 0.00 H new ATOM 217 N PHE A 15 5.982 -7.399 -6.531 1.00 0.00 N ATOM 218 CA PHE A 15 5.689 -6.098 -5.932 1.00 0.00 C ATOM 219 C PHE A 15 6.783 -5.098 -6.293 1.00 0.00 C ATOM 220 O PHE A 15 7.691 -5.406 -7.063 1.00 0.00 O ATOM 221 CB PHE A 15 5.586 -6.224 -4.401 1.00 0.00 C ATOM 222 CG PHE A 15 4.273 -6.882 -3.973 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.493 -7.631 -4.878 1.00 0.00 C ATOM 224 CD2 PHE A 15 3.844 -6.746 -2.648 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.307 -8.229 -4.459 1.00 0.00 C ATOM 226 CE2 PHE A 15 2.649 -7.347 -2.228 1.00 0.00 C ATOM 227 CZ PHE A 15 1.881 -8.089 -3.134 1.00 0.00 C ATOM 0 H PHE A 15 6.590 -8.000 -5.974 1.00 0.00 H new ATOM 0 HA PHE A 15 4.735 -5.743 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.425 -6.810 -4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.661 -5.235 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.817 -7.742 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.435 -6.176 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.715 -8.802 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.320 -7.238 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.961 -8.553 -2.810 1.00 0.00 H new ATOM 237 N ALA A 16 6.686 -3.893 -5.736 1.00 0.00 N ATOM 238 CA ALA A 16 7.675 -2.854 -6.016 1.00 0.00 C ATOM 239 C ALA A 16 8.802 -2.875 -4.979 1.00 0.00 C ATOM 240 O ALA A 16 9.242 -1.831 -4.500 1.00 0.00 O ATOM 241 CB ALA A 16 7.008 -1.476 -6.006 1.00 0.00 C ATOM 0 H ALA A 16 5.943 -3.614 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 16 8.099 -3.051 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.754 -0.709 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.229 -1.443 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.565 -1.293 -5.027 1.00 0.00 H new ATOM 247 N GLU A 17 9.273 -4.075 -4.645 1.00 0.00 N ATOM 248 CA GLU A 17 10.351 -4.210 -3.668 1.00 0.00 C ATOM 249 C GLU A 17 11.692 -4.402 -4.368 1.00 0.00 C ATOM 250 O GLU A 17 12.592 -5.063 -3.849 1.00 0.00 O ATOM 251 CB GLU A 17 10.090 -5.404 -2.754 1.00 0.00 C ATOM 252 CG GLU A 17 9.899 -6.667 -3.596 1.00 0.00 C ATOM 253 CD GLU A 17 9.981 -7.897 -2.698 1.00 0.00 C ATOM 254 OE1 GLU A 17 11.061 -8.173 -2.203 1.00 0.00 O ATOM 255 OE2 GLU A 17 8.962 -8.543 -2.518 1.00 0.00 O ATOM 0 H GLU A 17 8.931 -4.956 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 17 10.384 -3.296 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.925 -5.537 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.203 -5.222 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.934 -6.637 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.663 -6.719 -4.371 1.00 0.00 H new ATOM 262 N GLN A 18 11.814 -3.815 -5.553 1.00 0.00 N ATOM 263 CA GLN A 18 13.050 -3.924 -6.322 1.00 0.00 C ATOM 264 C GLN A 18 13.918 -2.684 -6.107 1.00 0.00 C ATOM 265 O GLN A 18 14.891 -2.717 -5.354 1.00 0.00 O ATOM 266 CB GLN A 18 12.742 -4.081 -7.814 1.00 0.00 C ATOM 267 CG GLN A 18 12.325 -5.526 -8.099 1.00 0.00 C ATOM 268 CD GLN A 18 13.564 -6.366 -8.386 1.00 0.00 C ATOM 269 OE1 GLN A 18 14.045 -6.407 -9.518 1.00 0.00 O ATOM 270 NE2 GLN A 18 14.116 -7.045 -7.418 1.00 0.00 N ATOM 0 H GLN A 18 11.081 -3.264 -5.999 1.00 0.00 H new ATOM 0 HA GLN A 18 13.590 -4.805 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.945 -3.397 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.619 -3.820 -8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.785 -5.935 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.646 -5.558 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.718 -7.011 -6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.946 -7.609 -7.600 1.00 0.00 H new ATOM 279 N GLU A 19 13.555 -1.591 -6.776 1.00 0.00 N ATOM 280 CA GLU A 19 14.308 -0.344 -6.650 1.00 0.00 C ATOM 281 C GLU A 19 13.695 0.749 -7.526 1.00 0.00 C ATOM 282 O GLU A 19 14.406 1.550 -8.133 1.00 0.00 O ATOM 283 CB GLU A 19 15.769 -0.552 -7.063 1.00 0.00 C ATOM 284 CG GLU A 19 16.673 0.357 -6.229 1.00 0.00 C ATOM 285 CD GLU A 19 18.039 -0.297 -6.062 1.00 0.00 C ATOM 286 OE1 GLU A 19 18.076 -1.466 -5.714 1.00 0.00 O ATOM 287 OE2 GLU A 19 19.030 0.379 -6.282 1.00 0.00 O ATOM 0 H GLU A 19 12.753 -1.543 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 19 14.266 -0.036 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.053 -1.595 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.893 -0.331 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.780 1.327 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.223 0.538 -5.253 1.00 0.00 H new ATOM 294 N ILE A 20 12.365 0.778 -7.583 1.00 0.00 N ATOM 295 CA ILE A 20 11.679 1.784 -8.391 1.00 0.00 C ATOM 296 C ILE A 20 11.571 3.108 -7.613 1.00 0.00 C ATOM 297 O ILE A 20 11.116 3.118 -6.469 1.00 0.00 O ATOM 298 CB ILE A 20 10.278 1.303 -8.795 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.431 1.006 -7.546 1.00 0.00 C ATOM 300 CG2 ILE A 20 10.411 0.031 -9.636 1.00 0.00 C ATOM 301 CD1 ILE A 20 8.018 0.591 -7.967 1.00 0.00 C ATOM 0 H ILE A 20 11.751 0.130 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 20 12.264 1.945 -9.297 1.00 0.00 H new ATOM 0 HB ILE A 20 9.785 2.084 -9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.895 0.212 -6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.386 1.888 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.420 -0.318 -9.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.998 0.245 -10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.910 -0.742 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.421 0.381 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.555 1.399 -8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.071 -0.303 -8.588 1.00 0.00 H new ATOM 313 N PRO A 21 11.994 4.245 -8.201 1.00 0.00 N ATOM 314 CA PRO A 21 11.924 5.544 -7.511 1.00 0.00 C ATOM 315 C PRO A 21 10.592 6.256 -7.734 1.00 0.00 C ATOM 316 O PRO A 21 9.630 5.668 -8.227 1.00 0.00 O ATOM 317 CB PRO A 21 13.051 6.318 -8.182 1.00 0.00 C ATOM 318 CG PRO A 21 13.270 5.692 -9.558 1.00 0.00 C ATOM 319 CD PRO A 21 12.569 4.327 -9.563 1.00 0.00 C ATOM 0 HA PRO A 21 12.011 5.449 -6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.791 7.372 -8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.962 6.266 -7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.864 6.334 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.335 5.577 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.798 4.272 -10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.269 3.514 -9.756 1.00 0.00 H new ATOM 327 N LEU A 22 10.557 7.537 -7.378 1.00 0.00 N ATOM 328 CA LEU A 22 9.347 8.337 -7.554 1.00 0.00 C ATOM 329 C LEU A 22 9.145 8.685 -9.029 1.00 0.00 C ATOM 330 O LEU A 22 8.027 8.942 -9.468 1.00 0.00 O ATOM 331 CB LEU A 22 9.430 9.632 -6.743 1.00 0.00 C ATOM 332 CG LEU A 22 9.074 9.510 -5.259 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.635 9.015 -5.115 1.00 0.00 C ATOM 334 CD2 LEU A 22 10.024 8.522 -4.580 1.00 0.00 C ATOM 0 H LEU A 22 11.344 8.041 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 22 8.503 7.745 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.443 10.025 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.766 10.367 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 22 9.170 10.487 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.384 8.929 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.957 9.723 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.536 8.040 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.768 8.438 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.933 7.545 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.050 8.878 -4.677 1.00 0.00 H new ATOM 346 N ARG A 23 10.234 8.685 -9.795 1.00 0.00 N ATOM 347 CA ARG A 23 10.142 8.995 -11.219 1.00 0.00 C ATOM 348 C ARG A 23 9.256 7.978 -11.945 1.00 0.00 C ATOM 349 O ARG A 23 8.783 8.234 -13.052 1.00 0.00 O ATOM 350 CB ARG A 23 11.533 8.988 -11.859 1.00 0.00 C ATOM 351 CG ARG A 23 12.467 9.909 -11.070 1.00 0.00 C ATOM 352 CD ARG A 23 13.444 10.604 -12.026 1.00 0.00 C ATOM 353 NE ARG A 23 14.816 10.505 -11.523 1.00 0.00 N ATOM 354 CZ ARG A 23 15.536 9.380 -11.632 1.00 0.00 C ATOM 355 NH1 ARG A 23 15.038 8.306 -12.198 1.00 0.00 N ATOM 356 NH2 ARG A 23 16.754 9.351 -11.167 1.00 0.00 N ATOM 0 H ARG A 23 11.175 8.478 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 23 9.699 9.987 -11.313 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.933 7.974 -11.873 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.469 9.320 -12.895 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.885 10.653 -10.527 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.019 9.332 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.380 10.149 -13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.167 11.652 -12.139 1.00 0.00 H new ATOM 0 HE ARG A 23 15.237 11.319 -11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.086 8.318 -12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.603 7.460 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.151 10.180 -10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.310 8.499 -11.245 1.00 0.00 H new ATOM 370 N ALA A 24 9.039 6.817 -11.318 1.00 0.00 N ATOM 371 CA ALA A 24 8.215 5.776 -11.927 1.00 0.00 C ATOM 372 C ALA A 24 6.856 5.673 -11.230 1.00 0.00 C ATOM 373 O ALA A 24 5.866 5.260 -11.833 1.00 0.00 O ATOM 374 CB ALA A 24 8.921 4.421 -11.838 1.00 0.00 C ATOM 0 H ALA A 24 9.418 6.579 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 24 8.060 6.045 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.296 3.654 -12.296 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.875 4.473 -12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.096 4.170 -10.792 1.00 0.00 H new ATOM 380 N ILE A 25 6.822 6.046 -9.953 1.00 0.00 N ATOM 381 CA ILE A 25 5.586 5.984 -9.181 1.00 0.00 C ATOM 382 C ILE A 25 4.972 7.377 -9.047 1.00 0.00 C ATOM 383 O ILE A 25 5.662 8.390 -9.142 1.00 0.00 O ATOM 384 CB ILE A 25 5.855 5.409 -7.787 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.636 4.091 -7.915 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.528 5.142 -7.074 1.00 0.00 C ATOM 387 CD1 ILE A 25 6.982 3.549 -6.522 1.00 0.00 C ATOM 0 H ILE A 25 7.630 6.392 -9.435 1.00 0.00 H new ATOM 0 HA ILE A 25 4.888 5.334 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 25 6.440 6.126 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.042 3.359 -8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.549 4.254 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.723 4.733 -6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.972 6.075 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.942 4.428 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.535 2.615 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.593 4.278 -5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.064 3.369 -5.963 1.00 0.00 H new ATOM 399 N LEU A 26 3.664 7.415 -8.834 1.00 0.00 N ATOM 400 CA LEU A 26 2.953 8.686 -8.698 1.00 0.00 C ATOM 401 C LEU A 26 2.422 8.858 -7.281 1.00 0.00 C ATOM 402 O LEU A 26 2.641 9.884 -6.638 1.00 0.00 O ATOM 403 CB LEU A 26 1.783 8.748 -9.676 1.00 0.00 C ATOM 404 CG LEU A 26 2.163 9.107 -11.112 1.00 0.00 C ATOM 405 CD1 LEU A 26 0.901 9.163 -11.971 1.00 0.00 C ATOM 406 CD2 LEU A 26 2.851 10.473 -11.130 1.00 0.00 C ATOM 0 H LEU A 26 3.073 6.588 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 26 3.658 9.488 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.280 7.781 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.063 9.481 -9.312 1.00 0.00 H new ATOM 0 HG LEU A 26 2.842 8.352 -11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.170 9.419 -12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.408 8.191 -11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.224 9.919 -11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.123 10.730 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.172 11.228 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.750 10.436 -10.515 1.00 0.00 H new ATOM 418 N CYS A 27 1.720 7.838 -6.809 1.00 0.00 N ATOM 419 CA CYS A 27 1.151 7.865 -5.463 1.00 0.00 C ATOM 420 C CYS A 27 0.994 6.441 -4.946 1.00 0.00 C ATOM 421 O CYS A 27 1.335 5.481 -5.638 1.00 0.00 O ATOM 422 CB CYS A 27 -0.217 8.556 -5.459 1.00 0.00 C ATOM 423 SG CYS A 27 -1.301 7.774 -6.677 1.00 0.00 S ATOM 0 H CYS A 27 1.530 6.984 -7.333 1.00 0.00 H new ATOM 0 HA CYS A 27 1.827 8.425 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.664 8.493 -4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.101 9.615 -5.689 1.00 0.00 H new ATOM 428 N TYR A 28 0.478 6.303 -3.726 1.00 0.00 N ATOM 429 CA TYR A 28 0.295 4.974 -3.157 1.00 0.00 C ATOM 430 C TYR A 28 -1.060 4.851 -2.454 1.00 0.00 C ATOM 431 O TYR A 28 -1.683 5.847 -2.099 1.00 0.00 O ATOM 432 CB TYR A 28 1.475 4.628 -2.218 1.00 0.00 C ATOM 433 CG TYR A 28 1.189 4.932 -0.758 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.645 6.167 -0.390 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.477 3.974 0.220 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.388 6.445 0.958 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.220 4.249 1.568 1.00 0.00 C ATOM 438 CZ TYR A 28 0.676 5.485 1.938 1.00 0.00 C ATOM 439 OH TYR A 28 0.423 5.758 3.267 1.00 0.00 O ATOM 0 H TYR A 28 0.186 7.075 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 28 0.291 4.245 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.715 3.570 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.357 5.187 -2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.423 6.906 -1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.898 3.021 -0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.032 7.398 1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.441 3.508 2.322 1.00 0.00 H new ATOM 0 HH TYR A 28 0.448 4.925 3.783 1.00 0.00 H new ATOM 449 N ARG A 29 -1.497 3.611 -2.260 1.00 0.00 N ATOM 450 CA ARG A 29 -2.775 3.359 -1.597 1.00 0.00 C ATOM 451 C ARG A 29 -2.827 1.930 -1.061 1.00 0.00 C ATOM 452 O ARG A 29 -2.543 0.971 -1.778 1.00 0.00 O ATOM 453 CB ARG A 29 -3.945 3.580 -2.561 1.00 0.00 C ATOM 454 CG ARG A 29 -3.684 2.843 -3.876 1.00 0.00 C ATOM 455 CD ARG A 29 -4.881 3.025 -4.811 1.00 0.00 C ATOM 456 NE ARG A 29 -5.071 1.838 -5.648 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.652 0.722 -5.181 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.073 0.642 -3.942 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.798 -0.302 -5.975 1.00 0.00 N ATOM 0 H ARG A 29 -0.993 2.772 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.862 4.061 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.871 3.222 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.075 4.645 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.780 3.228 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.517 1.783 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.781 3.211 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.726 3.900 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.752 1.860 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.962 1.437 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.512 -0.216 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.472 -0.250 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.238 -1.155 -5.631 1.00 0.00 H new ATOM 473 N ASN A 30 -3.190 1.805 0.213 1.00 0.00 N ATOM 474 CA ASN A 30 -3.274 0.493 0.853 1.00 0.00 C ATOM 475 C ASN A 30 -4.506 -0.265 0.374 1.00 0.00 C ATOM 476 O ASN A 30 -5.624 0.249 0.412 1.00 0.00 O ATOM 477 CB ASN A 30 -3.346 0.645 2.374 1.00 0.00 C ATOM 478 CG ASN A 30 -2.139 1.437 2.876 1.00 0.00 C ATOM 479 OD1 ASN A 30 -1.421 2.059 2.092 1.00 0.00 O ATOM 480 ND2 ASN A 30 -1.872 1.449 4.153 1.00 0.00 N ATOM 0 H ASN A 30 -3.429 2.589 0.820 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.379 -0.067 0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.268 1.154 2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.369 -0.337 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.069 1.973 4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.466 0.934 4.803 1.00 0.00 H new ATOM 487 N THR A 31 -4.289 -1.499 -0.074 1.00 0.00 N ATOM 488 CA THR A 31 -5.391 -2.327 -0.551 1.00 0.00 C ATOM 489 C THR A 31 -5.911 -3.210 0.580 1.00 0.00 C ATOM 490 O THR A 31 -5.392 -3.183 1.696 1.00 0.00 O ATOM 491 CB THR A 31 -4.946 -3.207 -1.727 1.00 0.00 C ATOM 492 OG1 THR A 31 -6.032 -4.022 -2.143 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.771 -4.099 -1.309 1.00 0.00 C ATOM 0 H THR A 31 -3.372 -1.943 -0.116 1.00 0.00 H new ATOM 0 HA THR A 31 -6.188 -1.666 -0.892 1.00 0.00 H new ATOM 0 HB THR A 31 -4.628 -2.565 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.750 -4.584 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.466 -4.718 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.934 -3.475 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.077 -4.739 -0.481 1.00 0.00 H new ATOM 501 N SER A 32 -6.947 -3.990 0.282 1.00 0.00 N ATOM 502 CA SER A 32 -7.539 -4.878 1.282 1.00 0.00 C ATOM 503 C SER A 32 -6.502 -5.853 1.826 1.00 0.00 C ATOM 504 O SER A 32 -5.348 -5.864 1.395 1.00 0.00 O ATOM 505 CB SER A 32 -8.682 -5.683 0.664 1.00 0.00 C ATOM 506 OG SER A 32 -9.884 -4.928 0.739 1.00 0.00 O ATOM 0 H SER A 32 -7.392 -4.026 -0.635 1.00 0.00 H new ATOM 0 HA SER A 32 -7.914 -4.256 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.454 -5.922 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.801 -6.630 1.190 1.00 0.00 H new ATOM 0 HG SER A 32 -10.618 -5.441 0.342 1.00 0.00 H new ATOM 512 N SER A 33 -6.934 -6.688 2.770 1.00 0.00 N ATOM 513 CA SER A 33 -6.043 -7.685 3.358 1.00 0.00 C ATOM 514 C SER A 33 -6.140 -9.018 2.604 1.00 0.00 C ATOM 515 O SER A 33 -5.694 -10.054 3.097 1.00 0.00 O ATOM 516 CB SER A 33 -6.402 -7.919 4.826 1.00 0.00 C ATOM 517 OG SER A 33 -6.585 -6.665 5.470 1.00 0.00 O ATOM 0 H SER A 33 -7.884 -6.694 3.140 1.00 0.00 H new ATOM 0 HA SER A 33 -5.024 -7.304 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.312 -8.515 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.611 -8.483 5.320 1.00 0.00 H new ATOM 0 HG SER A 33 -6.817 -6.811 6.411 1.00 0.00 H new ATOM 523 N ILE A 34 -6.728 -8.982 1.400 1.00 0.00 N ATOM 524 CA ILE A 34 -6.881 -10.186 0.583 1.00 0.00 C ATOM 525 C ILE A 34 -5.542 -10.901 0.396 1.00 0.00 C ATOM 526 O ILE A 34 -5.448 -12.119 0.547 1.00 0.00 O ATOM 527 CB ILE A 34 -7.473 -9.819 -0.799 1.00 0.00 C ATOM 528 CG1 ILE A 34 -7.432 -11.038 -1.743 1.00 0.00 C ATOM 529 CG2 ILE A 34 -6.680 -8.666 -1.434 1.00 0.00 C ATOM 530 CD1 ILE A 34 -8.743 -11.140 -2.515 1.00 0.00 C ATOM 0 H ILE A 34 -7.103 -8.134 0.975 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.561 -10.861 1.103 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.507 -9.509 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.597 -10.943 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.267 -11.949 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.110 -8.421 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.727 -7.791 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.640 -8.967 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.708 -12.003 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.570 -11.256 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.890 -10.234 -3.103 1.00 0.00 H new ATOM 542 N CYS A 35 -4.519 -10.137 0.043 1.00 0.00 N ATOM 543 CA CYS A 35 -3.198 -10.717 -0.192 1.00 0.00 C ATOM 544 C CYS A 35 -2.727 -11.528 1.015 1.00 0.00 C ATOM 545 O CYS A 35 -2.348 -12.692 0.891 1.00 0.00 O ATOM 546 CB CYS A 35 -2.164 -9.626 -0.493 1.00 0.00 C ATOM 547 SG CYS A 35 -2.747 -8.552 -1.837 1.00 0.00 S ATOM 0 H CYS A 35 -4.572 -9.127 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.288 -11.378 -1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.982 -9.032 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.214 -10.083 -0.771 1.00 0.00 H new ATOM 552 N SER A 36 -2.760 -10.897 2.182 1.00 0.00 N ATOM 553 CA SER A 36 -2.339 -11.567 3.411 1.00 0.00 C ATOM 554 C SER A 36 -2.672 -10.708 4.629 1.00 0.00 C ATOM 555 O SER A 36 -3.603 -11.004 5.378 1.00 0.00 O ATOM 556 CB SER A 36 -0.835 -11.841 3.384 1.00 0.00 C ATOM 557 OG SER A 36 -0.411 -12.266 4.672 1.00 0.00 O ATOM 0 H SER A 36 -3.070 -9.933 2.306 1.00 0.00 H new ATOM 0 HA SER A 36 -2.876 -12.513 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.607 -12.607 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.295 -10.941 3.090 1.00 0.00 H new ATOM 0 HG SER A 36 0.553 -12.444 4.657 1.00 0.00 H new ATOM 563 N ASN A 37 -1.903 -9.640 4.814 1.00 0.00 N ATOM 564 CA ASN A 37 -2.122 -8.737 5.941 1.00 0.00 C ATOM 565 C ASN A 37 -1.781 -7.309 5.538 1.00 0.00 C ATOM 566 O ASN A 37 -2.569 -6.384 5.735 1.00 0.00 O ATOM 567 CB ASN A 37 -1.249 -9.140 7.131 1.00 0.00 C ATOM 568 CG ASN A 37 -1.495 -10.606 7.472 1.00 0.00 C ATOM 569 OD1 ASN A 37 -2.636 -11.019 7.678 1.00 0.00 O ATOM 570 ND2 ASN A 37 -0.481 -11.425 7.544 1.00 0.00 N ATOM 0 H ASN A 37 -1.128 -9.379 4.204 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.172 -8.800 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.197 -8.983 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.478 -8.512 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.634 -12.408 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.464 -11.082 7.373 1.00 0.00 H new ATOM 577 N GLU A 38 -0.594 -7.143 4.962 1.00 0.00 N ATOM 578 CA GLU A 38 -0.149 -5.826 4.521 1.00 0.00 C ATOM 579 C GLU A 38 -0.272 -5.716 3.005 1.00 0.00 C ATOM 580 O GLU A 38 0.683 -5.964 2.270 1.00 0.00 O ATOM 581 CB GLU A 38 1.307 -5.588 4.924 1.00 0.00 C ATOM 582 CG GLU A 38 1.362 -5.084 6.368 1.00 0.00 C ATOM 583 CD GLU A 38 1.409 -6.273 7.321 1.00 0.00 C ATOM 584 OE1 GLU A 38 2.464 -6.876 7.432 1.00 0.00 O ATOM 585 OE2 GLU A 38 0.390 -6.563 7.925 1.00 0.00 O ATOM 0 H GLU A 38 0.071 -7.897 4.791 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.779 -5.075 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.877 -6.512 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.766 -4.859 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.240 -4.455 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.489 -4.467 6.582 1.00 0.00 H new ATOM 592 N GLY A 39 -1.463 -5.343 2.548 1.00 0.00 N ATOM 593 CA GLY A 39 -1.709 -5.202 1.116 1.00 0.00 C ATOM 594 C GLY A 39 -1.597 -3.743 0.691 1.00 0.00 C ATOM 595 O GLY A 39 -2.426 -2.909 1.056 1.00 0.00 O ATOM 0 H GLY A 39 -2.266 -5.135 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.992 -5.804 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.702 -5.581 0.873 1.00 0.00 H new ATOM 599 N LEU A 40 -0.559 -3.441 -0.083 1.00 0.00 N ATOM 600 CA LEU A 40 -0.342 -2.073 -0.550 1.00 0.00 C ATOM 601 C LEU A 40 -0.279 -2.024 -2.072 1.00 0.00 C ATOM 602 O LEU A 40 0.113 -2.989 -2.729 1.00 0.00 O ATOM 603 CB LEU A 40 0.959 -1.514 0.026 1.00 0.00 C ATOM 604 CG LEU A 40 1.349 -0.114 -0.448 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.289 0.887 0.004 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.697 0.270 0.165 1.00 0.00 C ATOM 0 H LEU A 40 0.139 -4.115 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.181 -1.466 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.876 -1.499 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.769 -2.200 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 40 1.423 -0.104 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.565 1.886 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.676 0.613 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.220 0.877 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.978 1.268 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.618 0.262 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.457 -0.446 -0.149 1.00 0.00 H new ATOM 618 N ILE A 41 -0.668 -0.878 -2.619 1.00 0.00 N ATOM 619 CA ILE A 41 -0.659 -0.681 -4.062 1.00 0.00 C ATOM 620 C ILE A 41 -0.184 0.738 -4.378 1.00 0.00 C ATOM 621 O ILE A 41 -0.227 1.627 -3.528 1.00 0.00 O ATOM 622 CB ILE A 41 -2.068 -0.913 -4.636 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.441 -2.388 -4.452 1.00 0.00 C ATOM 624 CG2 ILE A 41 -2.106 -0.561 -6.131 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.878 -2.625 -4.921 1.00 0.00 C ATOM 0 H ILE A 41 -0.993 -0.072 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 41 0.023 -1.397 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.778 -0.274 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.756 -3.019 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.340 -2.669 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.110 -0.731 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.838 0.487 -6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.397 -1.189 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.136 -3.676 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.558 -2.007 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.965 -2.362 -5.975 1.00 0.00 H new ATOM 637 N PHE A 42 0.272 0.934 -5.610 1.00 0.00 N ATOM 638 CA PHE A 42 0.756 2.242 -6.029 1.00 0.00 C ATOM 639 C PHE A 42 0.173 2.629 -7.382 1.00 0.00 C ATOM 640 O PHE A 42 -0.573 1.869 -8.002 1.00 0.00 O ATOM 641 CB PHE A 42 2.277 2.243 -6.156 1.00 0.00 C ATOM 642 CG PHE A 42 2.921 2.313 -4.794 1.00 0.00 C ATOM 643 CD1 PHE A 42 2.982 1.172 -3.987 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.486 3.514 -4.349 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.607 1.235 -2.737 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.107 3.575 -3.100 1.00 0.00 C ATOM 647 CZ PHE A 42 4.170 2.437 -2.296 1.00 0.00 C ATOM 0 H PHE A 42 0.316 0.212 -6.329 1.00 0.00 H new ATOM 0 HA PHE A 42 0.443 2.958 -5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.605 1.342 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.597 3.092 -6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.547 0.244 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.441 4.395 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.655 0.355 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.539 4.503 -2.756 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.654 2.484 -1.332 1.00 0.00 H new ATOM 657 N LYS A 43 0.544 3.820 -7.835 1.00 0.00 N ATOM 658 CA LYS A 43 0.083 4.324 -9.126 1.00 0.00 C ATOM 659 C LYS A 43 1.273 4.841 -9.925 1.00 0.00 C ATOM 660 O LYS A 43 2.224 5.368 -9.357 1.00 0.00 O ATOM 661 CB LYS A 43 -0.914 5.466 -8.938 1.00 0.00 C ATOM 662 CG LYS A 43 -1.763 5.615 -10.202 1.00 0.00 C ATOM 663 CD LYS A 43 -2.834 4.522 -10.233 1.00 0.00 C ATOM 664 CE LYS A 43 -3.955 4.931 -11.189 1.00 0.00 C ATOM 665 NZ LYS A 43 -5.005 5.671 -10.435 1.00 0.00 N ATOM 0 H LYS A 43 1.162 4.455 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.406 3.507 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.554 5.266 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.384 6.396 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.232 6.599 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.131 5.544 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.395 3.577 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.235 4.363 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.556 5.557 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.385 4.048 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.768 5.949 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.392 5.059 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.589 6.522 -10.005 1.00 0.00 H new ATOM 679 N LEU A 44 1.217 4.690 -11.243 1.00 0.00 N ATOM 680 CA LEU A 44 2.315 5.159 -12.088 1.00 0.00 C ATOM 681 C LEU A 44 1.786 6.068 -13.195 1.00 0.00 C ATOM 682 O LEU A 44 0.579 6.183 -13.400 1.00 0.00 O ATOM 683 CB LEU A 44 3.050 3.977 -12.720 1.00 0.00 C ATOM 684 CG LEU A 44 3.465 2.874 -11.744 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.296 1.910 -11.534 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.659 2.108 -12.320 1.00 0.00 C ATOM 0 H LEU A 44 0.442 4.256 -11.744 1.00 0.00 H new ATOM 0 HA LEU A 44 3.007 5.719 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.411 3.540 -13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.942 4.351 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 44 3.743 3.320 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.592 1.125 -10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.445 2.454 -11.125 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.017 1.463 -12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.956 1.322 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.379 1.663 -13.275 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.493 2.794 -12.470 1.00 0.00 H new ATOM 698 N LYS A 45 2.709 6.717 -13.901 1.00 0.00 N ATOM 699 CA LYS A 45 2.331 7.624 -14.985 1.00 0.00 C ATOM 700 C LYS A 45 2.067 6.871 -16.293 1.00 0.00 C ATOM 701 O LYS A 45 1.652 7.470 -17.284 1.00 0.00 O ATOM 702 CB LYS A 45 3.437 8.653 -15.226 1.00 0.00 C ATOM 703 CG LYS A 45 3.417 9.699 -14.110 1.00 0.00 C ATOM 704 CD LYS A 45 4.521 10.732 -14.354 1.00 0.00 C ATOM 705 CE LYS A 45 3.938 11.948 -15.082 1.00 0.00 C ATOM 706 NZ LYS A 45 4.194 11.822 -16.545 1.00 0.00 N ATOM 0 H LYS A 45 3.714 6.634 -13.746 1.00 0.00 H new ATOM 0 HA LYS A 45 1.412 8.123 -14.678 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.408 8.158 -15.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.294 9.135 -16.193 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.445 10.191 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.563 9.217 -13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.960 11.040 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.321 10.290 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.867 12.018 -14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.389 12.864 -14.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.947 12.483 -16.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.489 10.849 -16.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.325 12.046 -17.070 1.00 0.00 H new ATOM 720 N ARG A 46 2.309 5.556 -16.300 1.00 0.00 N ATOM 721 CA ARG A 46 2.085 4.762 -17.509 1.00 0.00 C ATOM 722 C ARG A 46 0.668 4.179 -17.542 1.00 0.00 C ATOM 723 O ARG A 46 0.426 3.156 -18.182 1.00 0.00 O ATOM 724 CB ARG A 46 3.100 3.615 -17.587 1.00 0.00 C ATOM 725 CG ARG A 46 4.304 4.053 -18.424 1.00 0.00 C ATOM 726 CD ARG A 46 5.503 3.159 -18.105 1.00 0.00 C ATOM 727 NE ARG A 46 6.565 3.346 -19.098 1.00 0.00 N ATOM 728 CZ ARG A 46 7.311 4.460 -19.144 1.00 0.00 C ATOM 729 NH1 ARG A 46 7.129 5.437 -18.287 1.00 0.00 N ATOM 730 NH2 ARG A 46 8.238 4.572 -20.056 1.00 0.00 N ATOM 0 H ARG A 46 2.653 5.028 -15.498 1.00 0.00 H new ATOM 0 HA ARG A 46 2.209 5.427 -18.364 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.424 3.333 -16.585 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.636 2.735 -18.031 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.064 3.991 -19.485 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.547 5.094 -18.212 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.883 3.392 -17.110 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.191 2.115 -18.090 1.00 0.00 H new ATOM 0 HE ARG A 46 6.743 2.605 -19.776 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.409 5.358 -17.568 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.707 6.276 -18.339 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.389 3.817 -20.725 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.811 5.415 -20.100 1.00 0.00 H new ATOM 744 N GLY A 47 -0.267 4.833 -16.852 1.00 0.00 N ATOM 745 CA GLY A 47 -1.648 4.357 -16.824 1.00 0.00 C ATOM 746 C GLY A 47 -1.724 2.961 -16.217 1.00 0.00 C ATOM 747 O GLY A 47 -2.499 2.116 -16.663 1.00 0.00 O ATOM 0 H GLY A 47 -0.096 5.682 -16.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.263 5.045 -16.244 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.053 4.342 -17.836 1.00 0.00 H new ATOM 751 N LYS A 48 -0.907 2.729 -15.193 1.00 0.00 N ATOM 752 CA LYS A 48 -0.888 1.428 -14.531 1.00 0.00 C ATOM 753 C LYS A 48 -0.581 1.587 -13.047 1.00 0.00 C ATOM 754 O LYS A 48 -0.176 2.657 -12.591 1.00 0.00 O ATOM 755 CB LYS A 48 0.168 0.520 -15.165 1.00 0.00 C ATOM 756 CG LYS A 48 -0.413 -0.143 -16.415 1.00 0.00 C ATOM 757 CD LYS A 48 0.166 -1.551 -16.564 1.00 0.00 C ATOM 758 CE LYS A 48 -0.099 -2.065 -17.980 1.00 0.00 C ATOM 759 NZ LYS A 48 0.704 -3.296 -18.220 1.00 0.00 N ATOM 0 H LYS A 48 -0.258 3.415 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.873 0.977 -14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.053 1.101 -15.426 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.485 -0.240 -14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.499 -0.191 -16.342 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.179 0.453 -17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.238 -1.538 -16.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.286 -2.221 -15.832 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.160 -2.279 -18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.162 -1.300 -18.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.524 -3.646 -19.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.715 -3.077 -18.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.434 -4.026 -17.530 1.00 0.00 H new ATOM 773 N GLU A 49 -0.779 0.506 -12.298 1.00 0.00 N ATOM 774 CA GLU A 49 -0.524 0.527 -10.861 1.00 0.00 C ATOM 775 C GLU A 49 0.589 -0.453 -10.506 1.00 0.00 C ATOM 776 O GLU A 49 1.187 -1.081 -11.379 1.00 0.00 O ATOM 777 CB GLU A 49 -1.788 0.144 -10.088 1.00 0.00 C ATOM 778 CG GLU A 49 -2.898 1.156 -10.386 1.00 0.00 C ATOM 779 CD GLU A 49 -4.246 0.444 -10.402 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.530 -0.223 -11.383 1.00 0.00 O ATOM 781 OE2 GLU A 49 -4.976 0.577 -9.433 1.00 0.00 O ATOM 0 H GLU A 49 -1.112 -0.388 -12.658 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.222 1.538 -10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.110 -0.858 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.580 0.122 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.899 1.943 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.718 1.637 -11.347 1.00 0.00 H new ATOM 788 N ALA A 50 0.858 -0.574 -9.211 1.00 0.00 N ATOM 789 CA ALA A 50 1.901 -1.478 -8.738 1.00 0.00 C ATOM 790 C ALA A 50 1.520 -2.048 -7.374 1.00 0.00 C ATOM 791 O ALA A 50 0.888 -1.378 -6.564 1.00 0.00 O ATOM 792 CB ALA A 50 3.234 -0.734 -8.624 1.00 0.00 C ATOM 0 H ALA A 50 0.373 -0.062 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 50 2.005 -2.293 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.004 -1.419 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.517 -0.343 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.131 0.091 -7.919 1.00 0.00 H new ATOM 798 N CYS A 51 1.910 -3.295 -7.132 1.00 0.00 N ATOM 799 CA CYS A 51 1.596 -3.945 -5.861 1.00 0.00 C ATOM 800 C CYS A 51 2.754 -3.804 -4.877 1.00 0.00 C ATOM 801 O CYS A 51 3.917 -3.696 -5.267 1.00 0.00 O ATOM 802 CB CYS A 51 1.311 -5.432 -6.076 1.00 0.00 C ATOM 803 SG CYS A 51 -0.395 -5.652 -6.647 1.00 0.00 S ATOM 0 H CYS A 51 2.437 -3.871 -7.788 1.00 0.00 H new ATOM 0 HA CYS A 51 0.712 -3.456 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.006 -5.843 -6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.467 -5.980 -5.147 1.00 0.00 H new ATOM 808 N ALA A 52 2.412 -3.814 -3.594 1.00 0.00 N ATOM 809 CA ALA A 52 3.408 -3.696 -2.533 1.00 0.00 C ATOM 810 C ALA A 52 2.824 -4.220 -1.226 1.00 0.00 C ATOM 811 O ALA A 52 1.678 -4.669 -1.184 1.00 0.00 O ATOM 812 CB ALA A 52 3.834 -2.238 -2.348 1.00 0.00 C ATOM 0 H ALA A 52 1.452 -3.903 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 52 4.283 -4.283 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.576 -2.174 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.264 -1.864 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.965 -1.636 -2.083 1.00 0.00 H new ATOM 818 N LEU A 53 3.616 -4.166 -0.159 1.00 0.00 N ATOM 819 CA LEU A 53 3.144 -4.651 1.136 1.00 0.00 C ATOM 820 C LEU A 53 2.351 -3.567 1.866 1.00 0.00 C ATOM 821 O LEU A 53 1.127 -3.565 1.823 1.00 0.00 O ATOM 822 CB LEU A 53 4.318 -5.124 2.001 1.00 0.00 C ATOM 823 CG LEU A 53 4.602 -6.627 1.939 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.333 -7.403 2.300 1.00 0.00 C ATOM 825 CD2 LEU A 53 5.041 -7.003 0.522 1.00 0.00 C ATOM 0 H LEU A 53 4.568 -3.800 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 53 2.484 -5.499 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.215 -4.587 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.120 -4.849 3.037 1.00 0.00 H new ATOM 0 HG LEU A 53 5.394 -6.876 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.536 -8.473 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.017 -7.135 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.541 -7.154 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.244 -8.073 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.248 -6.753 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.944 -6.451 0.262 1.00 0.00 H new ATOM 837 N ASP A 54 3.060 -2.650 2.531 1.00 0.00 N ATOM 838 CA ASP A 54 2.408 -1.555 3.267 1.00 0.00 C ATOM 839 C ASP A 54 3.423 -0.764 4.089 1.00 0.00 C ATOM 840 O ASP A 54 3.360 0.465 4.145 1.00 0.00 O ATOM 841 CB ASP A 54 1.317 -2.080 4.223 1.00 0.00 C ATOM 842 CG ASP A 54 0.588 -0.909 4.879 1.00 0.00 C ATOM 843 OD1 ASP A 54 1.224 -0.182 5.624 1.00 0.00 O ATOM 844 OD2 ASP A 54 -0.597 -0.758 4.627 1.00 0.00 O ATOM 0 H ASP A 54 4.079 -2.641 2.577 1.00 0.00 H new ATOM 0 HA ASP A 54 1.951 -0.909 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.607 -2.699 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.766 -2.713 4.988 1.00 0.00 H new ATOM 849 N THR A 55 4.334 -1.469 4.757 1.00 0.00 N ATOM 850 CA THR A 55 5.314 -0.786 5.600 1.00 0.00 C ATOM 851 C THR A 55 6.746 -1.206 5.285 1.00 0.00 C ATOM 852 O THR A 55 7.558 -1.419 6.189 1.00 0.00 O ATOM 853 CB THR A 55 5.017 -1.065 7.073 1.00 0.00 C ATOM 854 OG1 THR A 55 5.226 -2.444 7.345 1.00 0.00 O ATOM 855 CG2 THR A 55 3.565 -0.697 7.370 1.00 0.00 C ATOM 0 H THR A 55 4.415 -2.486 4.734 1.00 0.00 H new ATOM 0 HA THR A 55 5.228 0.280 5.392 1.00 0.00 H new ATOM 0 HB THR A 55 5.680 -0.470 7.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.037 -2.623 8.290 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.347 -0.894 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.407 0.361 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.903 -1.295 6.744 1.00 0.00 H new ATOM 863 N VAL A 56 7.066 -1.285 4.000 1.00 0.00 N ATOM 864 CA VAL A 56 8.430 -1.639 3.610 1.00 0.00 C ATOM 865 C VAL A 56 9.347 -0.451 3.958 1.00 0.00 C ATOM 866 O VAL A 56 9.039 0.316 4.870 1.00 0.00 O ATOM 867 CB VAL A 56 8.520 -2.006 2.108 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.428 -3.015 1.750 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.348 -0.762 1.234 1.00 0.00 C ATOM 0 H VAL A 56 6.422 -1.115 3.227 1.00 0.00 H new ATOM 0 HA VAL A 56 8.750 -2.527 4.156 1.00 0.00 H new ATOM 0 HB VAL A 56 9.503 -2.440 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.499 -3.267 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.556 -3.917 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.450 -2.580 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.415 -1.044 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.374 -0.313 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.133 -0.042 1.467 1.00 0.00 H new ATOM 879 N GLY A 57 10.457 -0.290 3.239 1.00 0.00 N ATOM 880 CA GLY A 57 11.362 0.826 3.517 1.00 0.00 C ATOM 881 C GLY A 57 11.196 1.930 2.480 1.00 0.00 C ATOM 882 O GLY A 57 11.241 3.118 2.801 1.00 0.00 O ATOM 0 H GLY A 57 10.748 -0.902 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.162 1.223 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.393 0.473 3.516 1.00 0.00 H new ATOM 886 N TRP A 58 11.021 1.521 1.231 1.00 0.00 N ATOM 887 CA TRP A 58 10.867 2.469 0.132 1.00 0.00 C ATOM 888 C TRP A 58 9.435 3.028 0.033 1.00 0.00 C ATOM 889 O TRP A 58 9.192 3.985 -0.700 1.00 0.00 O ATOM 890 CB TRP A 58 11.257 1.790 -1.187 1.00 0.00 C ATOM 891 CG TRP A 58 10.292 0.689 -1.503 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.463 -0.622 -1.210 1.00 0.00 C ATOM 893 CD2 TRP A 58 9.010 0.797 -2.170 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.356 -1.324 -1.663 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.436 -0.489 -2.266 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.304 1.883 -2.697 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.196 -0.687 -2.872 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.057 1.691 -3.309 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.506 0.407 -3.397 1.00 0.00 C ATOM 0 H TRP A 58 10.982 0.541 0.952 1.00 0.00 H new ATOM 0 HA TRP A 58 11.527 3.314 0.330 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.263 2.522 -1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.268 1.389 -1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.318 -1.049 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.236 -2.332 -1.563 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.722 2.877 -2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.773 -1.679 -2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.520 2.536 -3.714 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.547 0.263 -3.871 1.00 0.00 H new ATOM 910 N VAL A 59 8.495 2.438 0.771 1.00 0.00 N ATOM 911 CA VAL A 59 7.114 2.922 0.735 1.00 0.00 C ATOM 912 C VAL A 59 6.991 4.164 1.614 1.00 0.00 C ATOM 913 O VAL A 59 6.258 5.095 1.291 1.00 0.00 O ATOM 914 CB VAL A 59 6.132 1.828 1.219 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.732 2.411 1.473 1.00 0.00 C ATOM 916 CG2 VAL A 59 6.025 0.730 0.155 1.00 0.00 C ATOM 0 H VAL A 59 8.657 1.642 1.388 1.00 0.00 H new ATOM 0 HA VAL A 59 6.857 3.174 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 59 6.516 1.418 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.064 1.619 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.794 3.186 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.344 2.842 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.333 -0.041 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.658 1.161 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.007 0.288 -0.012 1.00 0.00 H new ATOM 926 N GLN A 60 7.709 4.158 2.731 1.00 0.00 N ATOM 927 CA GLN A 60 7.661 5.288 3.660 1.00 0.00 C ATOM 928 C GLN A 60 8.080 6.579 2.965 1.00 0.00 C ATOM 929 O GLN A 60 7.418 7.606 3.099 1.00 0.00 O ATOM 930 CB GLN A 60 8.574 5.061 4.882 1.00 0.00 C ATOM 931 CG GLN A 60 8.487 3.609 5.399 1.00 0.00 C ATOM 932 CD GLN A 60 7.030 3.159 5.524 1.00 0.00 C ATOM 933 OE1 GLN A 60 6.535 2.361 4.619 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 6.330 3.542 6.461 1.00 0.00 N flip ATOM 0 H GLN A 60 8.324 3.396 3.016 1.00 0.00 H new ATOM 0 HA GLN A 60 6.629 5.371 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.605 5.290 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.292 5.749 5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.020 2.944 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.979 3.534 6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.720 4.166 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.360 3.235 6.531 1.00 0.00 H new ATOM 943 N ARG A 61 9.181 6.525 2.218 1.00 0.00 N ATOM 944 CA ARG A 61 9.649 7.719 1.518 1.00 0.00 C ATOM 945 C ARG A 61 8.679 8.100 0.396 1.00 0.00 C ATOM 946 O ARG A 61 8.566 9.271 0.030 1.00 0.00 O ATOM 947 CB ARG A 61 11.066 7.520 0.958 1.00 0.00 C ATOM 948 CG ARG A 61 11.072 6.427 -0.111 1.00 0.00 C ATOM 949 CD ARG A 61 12.491 5.881 -0.275 1.00 0.00 C ATOM 950 NE ARG A 61 12.888 5.104 0.902 1.00 0.00 N ATOM 951 CZ ARG A 61 14.099 4.540 1.008 1.00 0.00 C ATOM 952 NH1 ARG A 61 14.994 4.664 0.057 1.00 0.00 N ATOM 953 NH2 ARG A 61 14.394 3.854 2.078 1.00 0.00 N ATOM 0 H ARG A 61 9.753 5.691 2.083 1.00 0.00 H new ATOM 0 HA ARG A 61 9.686 8.535 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.429 8.455 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.748 7.251 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.392 5.623 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.714 6.829 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.544 5.254 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.188 6.706 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 61 12.221 4.989 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.774 5.198 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.910 4.226 0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.706 3.751 2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.313 3.421 2.169 1.00 0.00 H new ATOM 967 N HIS A 62 7.962 7.107 -0.131 1.00 0.00 N ATOM 968 CA HIS A 62 6.991 7.363 -1.191 1.00 0.00 C ATOM 969 C HIS A 62 5.695 7.916 -0.608 1.00 0.00 C ATOM 970 O HIS A 62 5.100 8.845 -1.151 1.00 0.00 O ATOM 971 CB HIS A 62 6.671 6.080 -1.962 1.00 0.00 C ATOM 972 CG HIS A 62 7.722 5.832 -3.010 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.052 5.625 -2.695 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.647 5.767 -4.379 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.722 5.452 -3.850 1.00 0.00 C ATOM 976 NE2 HIS A 62 8.910 5.527 -4.908 1.00 0.00 N ATOM 0 H HIS A 62 8.034 6.131 0.155 1.00 0.00 H new ATOM 0 HA HIS A 62 7.433 8.093 -1.869 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.625 5.235 -1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.691 6.163 -2.431 1.00 0.00 H new ATOM 0 HD1 HIS A 62 9.453 5.607 -1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.743 5.885 -4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.785 5.274 -3.913 1.00 0.00 H new ATOM 984 N ARG A 63 5.261 7.327 0.500 1.00 0.00 N ATOM 985 CA ARG A 63 4.021 7.758 1.147 1.00 0.00 C ATOM 986 C ARG A 63 4.242 9.024 1.969 1.00 0.00 C ATOM 987 O ARG A 63 3.330 9.833 2.138 1.00 0.00 O ATOM 988 CB ARG A 63 3.451 6.654 2.048 1.00 0.00 C ATOM 989 CG ARG A 63 4.496 6.196 3.069 1.00 0.00 C ATOM 990 CD ARG A 63 4.138 6.730 4.459 1.00 0.00 C ATOM 991 NE ARG A 63 2.803 6.277 4.859 1.00 0.00 N ATOM 992 CZ ARG A 63 2.231 6.669 6.007 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.848 7.481 6.832 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.040 6.233 6.310 1.00 0.00 N ATOM 0 H ARG A 63 5.741 6.558 0.967 1.00 0.00 H new ATOM 0 HA ARG A 63 3.302 7.971 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.565 7.022 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.135 5.807 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.544 5.107 3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.483 6.553 2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.876 6.390 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.172 7.819 4.456 1.00 0.00 H new ATOM 0 HE ARG A 63 2.292 5.643 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.781 7.826 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.395 7.767 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.552 5.600 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.596 6.525 7.181 1.00 0.00 H new ATOM 1008 N LYS A 64 5.461 9.200 2.473 1.00 0.00 N ATOM 1009 CA LYS A 64 5.771 10.389 3.262 1.00 0.00 C ATOM 1010 C LYS A 64 5.675 11.640 2.388 1.00 0.00 C ATOM 1011 O LYS A 64 5.380 12.732 2.874 1.00 0.00 O ATOM 1012 CB LYS A 64 7.180 10.294 3.859 1.00 0.00 C ATOM 1013 CG LYS A 64 7.433 11.486 4.789 1.00 0.00 C ATOM 1014 CD LYS A 64 8.200 12.574 4.033 1.00 0.00 C ATOM 1015 CE LYS A 64 8.909 13.488 5.033 1.00 0.00 C ATOM 1016 NZ LYS A 64 9.186 14.804 4.394 1.00 0.00 N ATOM 0 H LYS A 64 6.237 8.549 2.353 1.00 0.00 H new ATOM 0 HA LYS A 64 5.047 10.454 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.288 9.361 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.922 10.280 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.486 11.882 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.002 11.165 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.928 12.120 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.514 13.155 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.289 13.625 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.841 13.029 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.668 15.426 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.793 14.665 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.290 15.242 4.099 1.00 0.00 H new ATOM 1030 N MET A 65 5.928 11.469 1.090 1.00 0.00 N ATOM 1031 CA MET A 65 5.866 12.589 0.156 1.00 0.00 C ATOM 1032 C MET A 65 4.532 12.601 -0.585 1.00 0.00 C ATOM 1033 O MET A 65 3.882 13.640 -0.705 1.00 0.00 O ATOM 1034 CB MET A 65 7.002 12.494 -0.865 1.00 0.00 C ATOM 1035 CG MET A 65 8.341 12.712 -0.161 1.00 0.00 C ATOM 1036 SD MET A 65 9.545 13.369 -1.344 1.00 0.00 S ATOM 1037 CE MET A 65 10.349 11.799 -1.744 1.00 0.00 C ATOM 0 H MET A 65 6.175 10.575 0.667 1.00 0.00 H new ATOM 0 HA MET A 65 5.966 13.510 0.731 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.989 11.518 -1.350 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.865 13.240 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.218 13.405 0.671 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.702 11.772 0.257 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.142 11.971 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.776 11.368 -0.838 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.615 11.111 -2.163 1.00 0.00 H new ATOM 1047 N LEU A 66 4.132 11.433 -1.083 1.00 0.00 N ATOM 1048 CA LEU A 66 2.872 11.319 -1.817 1.00 0.00 C ATOM 1049 C LEU A 66 1.732 10.980 -0.861 1.00 0.00 C ATOM 1050 O LEU A 66 1.932 10.854 0.347 1.00 0.00 O ATOM 1051 CB LEU A 66 2.968 10.232 -2.890 1.00 0.00 C ATOM 1052 CG LEU A 66 3.857 10.574 -4.090 1.00 0.00 C ATOM 1053 CD1 LEU A 66 3.301 11.810 -4.801 1.00 0.00 C ATOM 1054 CD2 LEU A 66 5.282 10.865 -3.611 1.00 0.00 C ATOM 0 H LEU A 66 4.654 10.561 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 66 2.673 12.278 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.345 9.320 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.964 10.013 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 66 3.871 9.729 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.933 12.054 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.288 11.606 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.286 12.652 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.911 11.108 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.269 11.708 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.682 9.987 -3.104 1.00 0.00 H new ATOM 1066 N ARG A 67 0.528 10.842 -1.413 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.641 10.528 -0.595 1.00 0.00 C ATOM 1068 C ARG A 67 -1.545 9.519 -1.296 1.00 0.00 C ATOM 1069 O ARG A 67 -1.252 9.057 -2.400 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.445 11.795 -0.298 1.00 0.00 C ATOM 1071 CG ARG A 67 -1.803 12.492 -1.612 1.00 0.00 C ATOM 1072 CD ARG A 67 -3.155 13.191 -1.468 1.00 0.00 C ATOM 1073 NE ARG A 67 -3.719 13.505 -2.783 1.00 0.00 N ATOM 1074 CZ ARG A 67 -3.289 14.546 -3.511 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -2.337 15.336 -3.075 1.00 0.00 N ATOM 1076 NH2 ARG A 67 -3.829 14.777 -4.677 1.00 0.00 N ATOM 0 H ARG A 67 0.338 10.941 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.281 10.096 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.352 11.542 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.865 12.466 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.033 13.218 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.843 11.764 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.843 12.552 -0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.036 14.107 -0.890 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.462 12.914 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.908 15.164 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.025 16.122 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.570 14.169 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.510 15.566 -5.239 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.651 9.180 -0.632 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.612 8.218 -1.175 1.00 0.00 C ATOM 1092 C HIS A 68 -4.063 8.612 -2.580 1.00 0.00 C ATOM 1093 O HIS A 68 -4.548 9.721 -2.804 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.843 8.130 -0.270 1.00 0.00 C ATOM 1095 CG HIS A 68 -4.520 7.298 0.941 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -3.914 7.834 2.066 1.00 0.00 N ATOM 1097 CD2 HIS A 68 -4.713 5.967 1.217 1.00 0.00 C ATOM 1098 CE1 HIS A 68 -3.766 6.840 2.960 1.00 0.00 C ATOM 1099 NE2 HIS A 68 -4.237 5.680 2.493 1.00 0.00 N ATOM 0 H HIS A 68 -2.904 9.557 0.282 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.112 7.251 -1.223 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.155 9.129 0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.677 7.688 -0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.165 5.252 0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.321 6.964 3.936 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.246 4.778 2.969 1.00 0.00 H new ATOM 1107 N CYS A 69 -3.901 7.684 -3.519 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.298 7.932 -4.904 1.00 0.00 C ATOM 1109 C CYS A 69 -5.803 8.219 -4.984 1.00 0.00 C ATOM 1110 O CYS A 69 -6.551 7.872 -4.070 1.00 0.00 O ATOM 1111 CB CYS A 69 -3.982 6.718 -5.778 1.00 0.00 C ATOM 1112 SG CYS A 69 -2.225 6.311 -5.638 1.00 0.00 S ATOM 0 H CYS A 69 -3.501 6.761 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.739 8.796 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.589 5.867 -5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.235 6.929 -6.817 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.270 8.852 -6.074 1.00 0.00 N ATOM 1118 CA PRO A 70 -7.701 9.164 -6.236 1.00 0.00 C ATOM 1119 C PRO A 70 -8.506 7.971 -6.747 1.00 0.00 C ATOM 1120 O PRO A 70 -7.947 6.930 -7.092 1.00 0.00 O ATOM 1121 CB PRO A 70 -7.676 10.285 -7.267 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.376 10.145 -8.050 1.00 0.00 C ATOM 1123 CD PRO A 70 -5.420 9.295 -7.206 1.00 0.00 C ATOM 0 HA PRO A 70 -8.182 9.432 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.536 10.215 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.729 11.258 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.559 9.673 -9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.942 11.124 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.028 8.449 -7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.562 9.874 -6.863 1.00 0.00 H new ATOM 1131 N SER A 71 -9.826 8.134 -6.789 1.00 0.00 N ATOM 1132 CA SER A 71 -10.702 7.062 -7.256 1.00 0.00 C ATOM 1133 C SER A 71 -10.391 6.709 -8.709 1.00 0.00 C ATOM 1134 O SER A 71 -9.803 5.666 -8.995 1.00 0.00 O ATOM 1135 CB SER A 71 -12.169 7.483 -7.144 1.00 0.00 C ATOM 1136 OG SER A 71 -12.311 8.817 -7.611 1.00 0.00 O ATOM 0 H SER A 71 -10.309 8.988 -6.509 1.00 0.00 H new ATOM 0 HA SER A 71 -10.527 6.188 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.798 6.812 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.502 7.410 -6.109 1.00 0.00 H new ATOM 0 HG SER A 71 -13.250 9.089 -7.542 1.00 0.00 H new ATOM 1142 N LYS A 72 -10.791 7.590 -9.622 1.00 0.00 N ATOM 1143 CA LYS A 72 -10.551 7.363 -11.046 1.00 0.00 C ATOM 1144 C LYS A 72 -10.607 8.684 -11.809 1.00 0.00 C ATOM 1145 O LYS A 72 -11.594 9.417 -11.737 1.00 0.00 O ATOM 1146 CB LYS A 72 -11.601 6.400 -11.619 1.00 0.00 C ATOM 1147 CG LYS A 72 -10.993 5.003 -11.780 1.00 0.00 C ATOM 1148 CD LYS A 72 -12.083 3.946 -11.592 1.00 0.00 C ATOM 1149 CE LYS A 72 -12.792 3.699 -12.925 1.00 0.00 C ATOM 1150 NZ LYS A 72 -11.971 2.779 -13.761 1.00 0.00 N ATOM 0 H LYS A 72 -11.278 8.460 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.560 6.922 -11.159 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.466 6.356 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.955 6.766 -12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.541 4.903 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.198 4.855 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.645 3.018 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.801 4.279 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.777 3.267 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.946 4.643 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.155 2.967 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.963 2.933 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.221 1.794 -13.541 1.00 0.00 H new ATOM 1164 N ARG A 73 -9.538 8.976 -12.543 1.00 0.00 N ATOM 1165 CA ARG A 73 -9.472 10.207 -13.318 1.00 0.00 C ATOM 1166 C ARG A 73 -10.400 10.122 -14.529 1.00 0.00 C ATOM 1167 O ARG A 73 -9.956 10.089 -15.678 1.00 0.00 O ATOM 1168 CB ARG A 73 -8.037 10.454 -13.791 1.00 0.00 C ATOM 1169 CG ARG A 73 -7.523 9.221 -14.538 1.00 0.00 C ATOM 1170 CD ARG A 73 -6.601 9.660 -15.676 1.00 0.00 C ATOM 1171 NE ARG A 73 -7.363 9.856 -16.912 1.00 0.00 N ATOM 1172 CZ ARG A 73 -6.764 10.064 -18.094 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -5.457 10.100 -18.198 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -7.496 10.231 -19.162 1.00 0.00 N ATOM 0 H ARG A 73 -8.712 8.382 -12.617 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.790 11.033 -12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.003 11.327 -14.443 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.394 10.669 -12.938 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.985 8.566 -13.853 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.361 8.648 -14.935 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.095 10.586 -15.404 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.827 8.909 -15.835 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.382 9.834 -16.872 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.876 9.968 -17.370 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.022 10.260 -19.107 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.513 10.203 -19.093 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.051 10.390 -20.066 1.00 0.00 H new ATOM 1188 N LYS A 74 -11.701 10.087 -14.256 1.00 0.00 N ATOM 1189 CA LYS A 74 -12.692 10.005 -15.327 1.00 0.00 C ATOM 1190 C LYS A 74 -13.432 11.331 -15.469 1.00 0.00 C ATOM 1191 O LYS A 74 -13.880 11.849 -14.460 1.00 0.00 O ATOM 1192 CB LYS A 74 -13.707 8.897 -15.034 1.00 0.00 C ATOM 1193 CG LYS A 74 -14.415 8.498 -16.331 1.00 0.00 C ATOM 1194 CD LYS A 74 -15.111 7.150 -16.139 1.00 0.00 C ATOM 1195 CE LYS A 74 -15.322 6.485 -17.500 1.00 0.00 C ATOM 1196 NZ LYS A 74 -16.646 6.892 -18.052 1.00 0.00 N ATOM 1197 OXT LYS A 74 -13.540 11.809 -16.587 1.00 0.00 O ATOM 0 H LYS A 74 -12.092 10.114 -13.314 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.167 9.780 -16.255 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.203 8.033 -14.601 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.436 9.241 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.144 9.259 -16.609 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.694 8.434 -17.146 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.509 6.506 -15.498 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.069 7.292 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.526 6.775 -18.186 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.276 5.401 -17.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.790 6.440 -18.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.400 6.595 -17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.673 7.926 -18.164 1.00 0.00 H new TER 1211 LYS A 74