USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 666 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 10 THR OG1 : rot 180:sc= -0.112 USER MOD Set 1.2: A 88 THR OG1 : rot 101:sc= 0.168 USER MOD Set 2.1: A 76 ASN : amide:sc= -7.25! C(o=-11!,f=-15!) USER MOD Set 2.2: A 77 SER OG : rot 166:sc= -3.67! USER MOD Set 3.1: A 43 SER OG : rot -140:sc= 0.00108 USER MOD Set 3.2: A 46 HIS :FLIP no HD1:sc= -1.69 F(o=-3.6!,f=-1.7) USER MOD Single : A 4 THR OG1 : rot -174:sc= -6.3! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 131:sc= -0.0332 (180deg=-1.4) USER MOD Single : A -1 ALA N :NH3+ -147:sc= 0.0288 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.754 USER MOD Single : A 20 SER OG : rot -13:sc= 0.556! USER MOD Single : A 21 CYS SG : rot -127:sc= -0.826 USER MOD Single : A 23 THR OG1 : rot -11:sc= 0.258 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.142 (180deg=0.000227) USER MOD Single : A 38 GLN : amide:sc= -0.0785 K(o=-0.079,f=-1.6!) USER MOD Single : A 41 SER OG : rot 14:sc= -0.056 USER MOD Single : A 42 THR OG1 : rot -61:sc= 0.363 USER MOD Single : A 47 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 91:sc= 1.17 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 168:sc= 0.0052 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 3:sc= -5.17! USER MOD Single : A 56 THR OG1 : rot 180:sc= -5.11! USER MOD Single : A 60 SER OG : rot 97:sc= 0.761 USER MOD Single : A 61 SER OG : rot 6:sc= -1.46! USER MOD Single : A 69 ASN : amide:sc= -4.73! C(o=-4.7!,f=-13!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 72:sc= 0.168 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 86 THR OG1 : rot 24:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 19.236 0.652 6.556 1.00 0.00 N ATOM 82 CA ALA A -1 18.135 -0.343 6.608 1.00 0.00 C ATOM 83 C ALA A -1 16.890 0.217 5.912 1.00 0.00 C ATOM 84 O ALA A -1 16.983 0.964 4.958 1.00 0.00 O ATOM 85 CB ALA A -1 17.878 -0.555 8.101 1.00 0.00 C ATOM 0 H1 ALA A -1 20.148 0.157 6.488 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.112 1.264 5.725 1.00 0.00 H new ATOM 0 H3 ALA A -1 19.220 1.233 7.419 1.00 0.00 H new ATOM 0 HA ALA A -1 18.384 -1.276 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.075 -1.280 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.785 -0.928 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.591 0.392 8.559 1.00 0.00 H new ATOM 91 N ALA A 0 15.732 -0.140 6.383 1.00 0.00 N ATOM 92 CA ALA A 0 14.474 0.363 5.759 1.00 0.00 C ATOM 93 C ALA A 0 13.418 0.610 6.837 1.00 0.00 C ATOM 94 O ALA A 0 13.141 -0.243 7.657 1.00 0.00 O ATOM 95 CB ALA A 0 14.011 -0.748 4.816 1.00 0.00 C ATOM 0 H ALA A 0 15.598 -0.763 7.179 1.00 0.00 H new ATOM 0 HA ALA A 0 14.630 1.304 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.088 -0.445 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.780 -0.933 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.834 -1.660 5.387 1.00 0.00 H new ATOM 101 N ARG A 1 12.828 1.767 6.838 1.00 0.00 N ATOM 102 CA ARG A 1 11.788 2.074 7.862 1.00 0.00 C ATOM 103 C ARG A 1 10.744 3.022 7.272 1.00 0.00 C ATOM 104 O ARG A 1 11.029 3.794 6.380 1.00 0.00 O ATOM 105 CB ARG A 1 12.540 2.749 9.012 1.00 0.00 C ATOM 106 CG ARG A 1 13.386 3.904 8.470 1.00 0.00 C ATOM 107 CD ARG A 1 12.872 5.226 9.038 1.00 0.00 C ATOM 108 NE ARG A 1 13.982 6.188 8.812 1.00 0.00 N ATOM 109 CZ ARG A 1 13.862 7.427 9.207 1.00 0.00 C ATOM 110 NH1 ARG A 1 13.469 7.687 10.424 1.00 0.00 N ATOM 111 NH2 ARG A 1 14.132 8.404 8.386 1.00 0.00 N ATOM 0 H ARG A 1 13.018 2.518 6.174 1.00 0.00 H new ATOM 0 HA ARG A 1 11.260 1.181 8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.832 3.121 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.178 2.024 9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.432 3.761 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.340 3.922 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.961 5.547 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.635 5.136 10.098 1.00 0.00 H new ATOM 0 HE ARG A 1 14.837 5.881 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.256 6.923 11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.375 8.654 10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.437 8.201 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.038 9.371 8.696 1.00 0.00 H new ATOM 125 N ILE A 2 9.535 2.968 7.757 1.00 0.00 N ATOM 126 CA ILE A 2 8.484 3.865 7.208 1.00 0.00 C ATOM 127 C ILE A 2 8.454 5.190 7.971 1.00 0.00 C ATOM 128 O ILE A 2 8.291 5.237 9.174 1.00 0.00 O ATOM 129 CB ILE A 2 7.173 3.100 7.370 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.234 1.836 6.498 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.007 3.993 6.926 1.00 0.00 C ATOM 132 CD1 ILE A 2 5.856 1.173 6.422 1.00 0.00 C ATOM 0 H ILE A 2 9.232 2.345 8.505 1.00 0.00 H new ATOM 0 HA ILE A 2 8.668 4.120 6.164 1.00 0.00 H new ATOM 0 HB ILE A 2 7.023 2.818 8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.576 2.094 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.959 1.136 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.069 3.450 7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.983 4.892 7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.140 4.272 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.916 0.279 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.529 0.897 7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.140 1.870 5.986 1.00 0.00 H new ATOM 144 N LEU A 3 8.624 6.262 7.258 1.00 0.00 N ATOM 145 CA LEU A 3 8.629 7.614 7.874 1.00 0.00 C ATOM 146 C LEU A 3 7.203 8.176 7.936 1.00 0.00 C ATOM 147 O LEU A 3 6.842 8.877 8.861 1.00 0.00 O ATOM 148 CB LEU A 3 9.505 8.425 6.918 1.00 0.00 C ATOM 149 CG LEU A 3 9.500 9.902 7.306 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.944 10.379 7.472 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.821 10.709 6.196 1.00 0.00 C ATOM 0 H LEU A 3 8.763 6.258 6.248 1.00 0.00 H new ATOM 0 HA LEU A 3 8.999 7.628 8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.525 8.042 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.141 8.310 5.897 1.00 0.00 H new ATOM 0 HG LEU A 3 8.958 10.040 8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.949 11.433 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.432 9.796 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.481 10.248 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.814 11.765 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.369 10.577 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.796 10.360 6.067 1.00 0.00 H new ATOM 163 N THR A 4 6.391 7.866 6.964 1.00 0.00 N ATOM 164 CA THR A 4 4.981 8.371 6.971 1.00 0.00 C ATOM 165 C THR A 4 4.059 7.384 6.257 1.00 0.00 C ATOM 166 O THR A 4 3.707 7.582 5.120 1.00 0.00 O ATOM 167 CB THR A 4 5.015 9.686 6.198 1.00 0.00 C ATOM 168 OG1 THR A 4 6.212 10.384 6.500 1.00 0.00 O ATOM 169 CG2 THR A 4 3.810 10.541 6.593 1.00 0.00 C ATOM 0 H THR A 4 6.639 7.285 6.163 1.00 0.00 H new ATOM 0 HA THR A 4 4.607 8.497 7.987 1.00 0.00 H new ATOM 0 HB THR A 4 4.978 9.479 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.190 11.268 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.834 11.481 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.891 10.005 6.357 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.845 10.748 7.663 1.00 0.00 H new ATOM 177 N LYS A 5 3.669 6.328 6.911 1.00 0.00 N ATOM 178 CA LYS A 5 2.774 5.329 6.263 1.00 0.00 C ATOM 179 C LYS A 5 1.562 6.015 5.602 1.00 0.00 C ATOM 180 O LYS A 5 1.401 7.215 5.699 1.00 0.00 O ATOM 181 CB LYS A 5 2.334 4.420 7.416 1.00 0.00 C ATOM 182 CG LYS A 5 1.440 5.204 8.383 1.00 0.00 C ATOM 183 CD LYS A 5 1.276 4.415 9.684 1.00 0.00 C ATOM 184 CE LYS A 5 2.351 4.847 10.684 1.00 0.00 C ATOM 185 NZ LYS A 5 2.830 3.581 11.304 1.00 0.00 N ATOM 0 H LYS A 5 3.933 6.112 7.872 1.00 0.00 H new ATOM 0 HA LYS A 5 3.271 4.779 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.794 3.557 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.208 4.037 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.879 6.180 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.465 5.383 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.285 4.587 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.357 3.346 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.164 5.375 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.943 5.524 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.570 3.795 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.036 3.104 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.219 2.959 10.567 1.00 0.00 H new ATOM 199 N PRO A 6 0.745 5.220 4.947 1.00 0.00 N ATOM 200 CA PRO A 6 -0.454 5.751 4.266 1.00 0.00 C ATOM 201 C PRO A 6 -1.628 5.836 5.242 1.00 0.00 C ATOM 202 O PRO A 6 -1.610 5.248 6.305 1.00 0.00 O ATOM 203 CB PRO A 6 -0.728 4.717 3.173 1.00 0.00 C ATOM 204 CG PRO A 6 -0.097 3.440 3.652 1.00 0.00 C ATOM 205 CD PRO A 6 0.853 3.770 4.785 1.00 0.00 C ATOM 0 HA PRO A 6 -0.315 6.757 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.799 4.589 3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.301 5.031 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.863 2.743 3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.439 2.953 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.575 3.247 5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.874 3.473 4.545 1.00 0.00 H new ATOM 213 N ARG A 7 -2.652 6.561 4.888 1.00 0.00 N ATOM 214 CA ARG A 7 -3.828 6.680 5.795 1.00 0.00 C ATOM 215 C ARG A 7 -4.837 5.570 5.491 1.00 0.00 C ATOM 216 O ARG A 7 -4.476 4.493 5.059 1.00 0.00 O ATOM 217 CB ARG A 7 -4.423 8.058 5.490 1.00 0.00 C ATOM 218 CG ARG A 7 -4.920 8.096 4.043 1.00 0.00 C ATOM 219 CD ARG A 7 -4.460 9.395 3.378 1.00 0.00 C ATOM 220 NE ARG A 7 -5.071 10.481 4.193 1.00 0.00 N ATOM 221 CZ ARG A 7 -6.026 11.215 3.691 1.00 0.00 C ATOM 222 NH1 ARG A 7 -7.225 10.718 3.551 1.00 0.00 N ATOM 223 NH2 ARG A 7 -5.783 12.444 3.329 1.00 0.00 N ATOM 0 H ARG A 7 -2.726 7.076 4.011 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.558 6.581 6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.246 8.269 6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.672 8.832 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.535 7.237 3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.008 8.028 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.373 9.471 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.791 9.446 2.341 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.743 10.651 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.415 9.757 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.972 11.291 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.846 12.832 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.530 13.017 2.937 1.00 0.00 H new ATOM 237 N SER A 8 -6.096 5.817 5.717 1.00 0.00 N ATOM 238 CA SER A 8 -7.118 4.769 5.440 1.00 0.00 C ATOM 239 C SER A 8 -8.316 5.374 4.715 1.00 0.00 C ATOM 240 O SER A 8 -8.386 6.567 4.495 1.00 0.00 O ATOM 241 CB SER A 8 -7.551 4.240 6.809 1.00 0.00 C ATOM 242 OG SER A 8 -7.166 5.154 7.829 1.00 0.00 O ATOM 0 H SER A 8 -6.462 6.697 6.081 1.00 0.00 H new ATOM 0 HA SER A 8 -6.717 3.978 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.631 4.096 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.097 3.266 6.992 1.00 0.00 H new ATOM 0 HG SER A 8 -7.448 4.808 8.701 1.00 0.00 H new ATOM 248 N MET A 9 -9.260 4.557 4.349 1.00 0.00 N ATOM 249 CA MET A 9 -10.462 5.075 3.646 1.00 0.00 C ATOM 250 C MET A 9 -11.478 3.959 3.433 1.00 0.00 C ATOM 251 O MET A 9 -11.206 2.795 3.654 1.00 0.00 O ATOM 252 CB MET A 9 -9.954 5.576 2.301 1.00 0.00 C ATOM 253 CG MET A 9 -10.755 6.803 1.872 1.00 0.00 C ATOM 254 SD MET A 9 -9.896 7.642 0.518 1.00 0.00 S ATOM 255 CE MET A 9 -8.688 8.525 1.536 1.00 0.00 C ATOM 0 H MET A 9 -9.251 3.549 4.507 1.00 0.00 H new ATOM 0 HA MET A 9 -10.958 5.858 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.896 5.827 2.372 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.045 4.790 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.754 6.505 1.554 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.878 7.483 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.689 8.378 1.125 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.925 9.589 1.542 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.721 8.141 2.555 1.00 0.00 H new ATOM 265 N THR A 10 -12.643 4.315 2.994 1.00 0.00 N ATOM 266 CA THR A 10 -13.699 3.292 2.745 1.00 0.00 C ATOM 267 C THR A 10 -14.658 3.781 1.658 1.00 0.00 C ATOM 268 O THR A 10 -15.120 4.904 1.686 1.00 0.00 O ATOM 269 CB THR A 10 -14.425 3.133 4.083 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.529 2.584 5.040 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.623 2.198 3.910 1.00 0.00 C ATOM 0 H THR A 10 -12.918 5.277 2.793 1.00 0.00 H new ATOM 0 HA THR A 10 -13.286 2.345 2.398 1.00 0.00 H new ATOM 0 HB THR A 10 -14.775 4.107 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.990 2.482 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.138 2.086 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.309 2.618 3.174 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.277 1.223 3.568 1.00 0.00 H new ATOM 279 N VAL A 11 -14.959 2.952 0.697 1.00 0.00 N ATOM 280 CA VAL A 11 -15.884 3.380 -0.385 1.00 0.00 C ATOM 281 C VAL A 11 -16.826 2.236 -0.756 1.00 0.00 C ATOM 282 O VAL A 11 -16.983 1.284 -0.021 1.00 0.00 O ATOM 283 CB VAL A 11 -14.972 3.707 -1.562 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.042 4.861 -1.195 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.139 2.475 -1.906 1.00 0.00 C ATOM 0 H VAL A 11 -14.604 1.999 0.616 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.505 4.226 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.579 3.997 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.393 5.089 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.635 5.741 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.433 4.578 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.484 2.702 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.536 2.191 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.801 1.651 -2.173 1.00 0.00 H new ATOM 295 N TYR A 12 -17.432 2.313 -1.906 1.00 0.00 N ATOM 296 CA TYR A 12 -18.335 1.216 -2.348 1.00 0.00 C ATOM 297 C TYR A 12 -17.518 0.232 -3.177 1.00 0.00 C ATOM 298 O TYR A 12 -17.748 -0.961 -3.176 1.00 0.00 O ATOM 299 CB TYR A 12 -19.389 1.892 -3.218 1.00 0.00 C ATOM 300 CG TYR A 12 -20.660 1.079 -3.177 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.520 1.172 -2.076 1.00 0.00 C ATOM 302 CD2 TYR A 12 -20.975 0.226 -4.241 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.695 0.413 -2.041 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.150 -0.534 -4.205 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.010 -0.440 -3.105 1.00 0.00 C ATOM 306 OH TYR A 12 -24.169 -1.189 -3.071 1.00 0.00 O ATOM 0 H TYR A 12 -17.341 3.090 -2.561 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.792 0.674 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.579 2.904 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.031 1.978 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -21.277 1.829 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -20.311 0.154 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -23.359 0.485 -1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -22.393 -1.193 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.236 -1.726 -3.888 1.00 0.00 H new ATOM 316 N GLU A 13 -16.553 0.749 -3.879 1.00 0.00 N ATOM 317 CA GLU A 13 -15.675 -0.105 -4.722 1.00 0.00 C ATOM 318 C GLU A 13 -14.401 0.685 -5.062 1.00 0.00 C ATOM 319 O GLU A 13 -13.706 1.146 -4.178 1.00 0.00 O ATOM 320 CB GLU A 13 -16.508 -0.425 -5.969 1.00 0.00 C ATOM 321 CG GLU A 13 -17.014 0.873 -6.604 1.00 0.00 C ATOM 322 CD GLU A 13 -17.572 0.576 -7.997 1.00 0.00 C ATOM 323 OE1 GLU A 13 -18.601 -0.074 -8.077 1.00 0.00 O ATOM 324 OE2 GLU A 13 -16.961 1.006 -8.962 1.00 0.00 O ATOM 0 H GLU A 13 -16.331 1.744 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.356 -1.025 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.905 -0.981 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.351 -1.062 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.787 1.319 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.202 1.597 -6.673 1.00 0.00 H new ATOM 331 N GLY A 14 -14.082 0.864 -6.317 1.00 0.00 N ATOM 332 CA GLY A 14 -12.858 1.638 -6.661 1.00 0.00 C ATOM 333 C GLY A 14 -13.242 3.100 -6.897 1.00 0.00 C ATOM 334 O GLY A 14 -13.010 3.650 -7.955 1.00 0.00 O ATOM 0 H GLY A 14 -14.613 0.510 -7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.128 1.566 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.389 1.223 -7.553 1.00 0.00 H new ATOM 338 N GLU A 15 -13.832 3.732 -5.919 1.00 0.00 N ATOM 339 CA GLU A 15 -14.237 5.155 -6.094 1.00 0.00 C ATOM 340 C GLU A 15 -13.031 6.010 -6.487 1.00 0.00 C ATOM 341 O GLU A 15 -12.905 6.441 -7.616 1.00 0.00 O ATOM 342 CB GLU A 15 -14.801 5.583 -4.736 1.00 0.00 C ATOM 343 CG GLU A 15 -16.015 6.487 -4.953 1.00 0.00 C ATOM 344 CD GLU A 15 -15.541 7.887 -5.347 1.00 0.00 C ATOM 345 OE1 GLU A 15 -15.238 8.662 -4.455 1.00 0.00 O ATOM 346 OE2 GLU A 15 -15.485 8.159 -6.535 1.00 0.00 O ATOM 0 H GLU A 15 -14.050 3.326 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.973 5.279 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.086 4.706 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.039 6.111 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.655 6.075 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.613 6.536 -4.043 1.00 0.00 H new ATOM 353 N SER A 16 -12.140 6.261 -5.567 1.00 0.00 N ATOM 354 CA SER A 16 -10.936 7.093 -5.883 1.00 0.00 C ATOM 355 C SER A 16 -10.141 7.371 -4.605 1.00 0.00 C ATOM 356 O SER A 16 -9.820 8.501 -4.299 1.00 0.00 O ATOM 357 CB SER A 16 -11.472 8.406 -6.462 1.00 0.00 C ATOM 358 OG SER A 16 -12.748 8.681 -5.898 1.00 0.00 O ATOM 0 H SER A 16 -12.191 5.926 -4.605 1.00 0.00 H new ATOM 0 HA SER A 16 -10.271 6.587 -6.583 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.782 9.221 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.549 8.334 -7.547 1.00 0.00 H new ATOM 0 HG SER A 16 -13.094 9.521 -6.265 1.00 0.00 H new ATOM 364 N ALA A 17 -9.821 6.350 -3.859 1.00 0.00 N ATOM 365 CA ALA A 17 -9.043 6.561 -2.604 1.00 0.00 C ATOM 366 C ALA A 17 -7.546 6.457 -2.899 1.00 0.00 C ATOM 367 O ALA A 17 -7.057 5.416 -3.285 1.00 0.00 O ATOM 368 CB ALA A 17 -9.486 5.435 -1.669 1.00 0.00 C ATOM 0 H ALA A 17 -10.064 5.380 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.217 7.543 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.957 5.521 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.559 5.509 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.258 4.472 -2.126 1.00 0.00 H new ATOM 374 N ARG A 18 -6.818 7.528 -2.728 1.00 0.00 N ATOM 375 CA ARG A 18 -5.353 7.486 -3.010 1.00 0.00 C ATOM 376 C ARG A 18 -4.555 7.469 -1.702 1.00 0.00 C ATOM 377 O ARG A 18 -4.972 8.017 -0.702 1.00 0.00 O ATOM 378 CB ARG A 18 -5.069 8.767 -3.795 1.00 0.00 C ATOM 379 CG ARG A 18 -3.730 8.638 -4.521 1.00 0.00 C ATOM 380 CD ARG A 18 -3.398 9.958 -5.219 1.00 0.00 C ATOM 381 NE ARG A 18 -3.104 10.912 -4.114 1.00 0.00 N ATOM 382 CZ ARG A 18 -2.553 12.065 -4.378 1.00 0.00 C ATOM 383 NH1 ARG A 18 -1.277 12.135 -4.635 1.00 0.00 N ATOM 384 NH2 ARG A 18 -3.281 13.149 -4.384 1.00 0.00 N ATOM 0 H ARG A 18 -7.173 8.428 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.065 6.592 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.868 8.949 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.047 9.622 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.943 8.382 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.777 7.830 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.542 9.849 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.233 10.304 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.333 10.664 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.709 11.288 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.847 13.037 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.279 13.094 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.851 14.051 -4.590 1.00 0.00 H new ATOM 398 N PHE A 19 -3.409 6.841 -1.705 1.00 0.00 N ATOM 399 CA PHE A 19 -2.582 6.786 -0.460 1.00 0.00 C ATOM 400 C PHE A 19 -1.108 7.015 -0.775 1.00 0.00 C ATOM 401 O PHE A 19 -0.660 6.835 -1.889 1.00 0.00 O ATOM 402 CB PHE A 19 -2.768 5.374 0.091 1.00 0.00 C ATOM 403 CG PHE A 19 -4.231 5.117 0.301 1.00 0.00 C ATOM 404 CD1 PHE A 19 -4.986 6.012 1.060 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.835 3.997 -0.275 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.351 5.790 1.245 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.199 3.770 -0.090 1.00 0.00 C ATOM 408 CZ PHE A 19 -6.961 4.670 0.670 1.00 0.00 C ATOM 0 H PHE A 19 -3.009 6.364 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.887 7.556 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.354 4.642 -0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.228 5.263 1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.514 6.876 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.247 3.308 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.936 6.482 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.668 2.903 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.018 4.498 0.811 1.00 0.00 H new ATOM 418 N SER A 20 -0.346 7.393 0.210 1.00 0.00 N ATOM 419 CA SER A 20 1.104 7.611 -0.018 1.00 0.00 C ATOM 420 C SER A 20 1.878 7.346 1.268 1.00 0.00 C ATOM 421 O SER A 20 1.651 7.969 2.287 1.00 0.00 O ATOM 422 CB SER A 20 1.240 9.070 -0.448 1.00 0.00 C ATOM 423 OG SER A 20 1.335 9.900 0.704 1.00 0.00 O ATOM 0 H SER A 20 -0.666 7.560 1.164 1.00 0.00 H new ATOM 0 HA SER A 20 1.507 6.939 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.125 9.195 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.380 9.364 -1.051 1.00 0.00 H new ATOM 0 HG SER A 20 1.086 9.385 1.500 1.00 0.00 H new ATOM 429 N CYS A 21 2.796 6.431 1.228 1.00 0.00 N ATOM 430 CA CYS A 21 3.591 6.135 2.442 1.00 0.00 C ATOM 431 C CYS A 21 5.064 6.385 2.146 1.00 0.00 C ATOM 432 O CYS A 21 5.631 5.799 1.252 1.00 0.00 O ATOM 433 CB CYS A 21 3.331 4.664 2.747 1.00 0.00 C ATOM 434 SG CYS A 21 3.790 3.649 1.321 1.00 0.00 S ATOM 0 H CYS A 21 3.031 5.874 0.406 1.00 0.00 H new ATOM 0 HA CYS A 21 3.320 6.762 3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.905 4.358 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.279 4.514 2.988 1.00 0.00 H new ATOM 0 HG CYS A 21 2.788 2.890 0.988 1.00 0.00 H new ATOM 440 N ASP A 22 5.690 7.257 2.877 1.00 0.00 N ATOM 441 CA ASP A 22 7.123 7.535 2.608 1.00 0.00 C ATOM 442 C ASP A 22 7.990 6.588 3.425 1.00 0.00 C ATOM 443 O ASP A 22 7.691 6.285 4.555 1.00 0.00 O ATOM 444 CB ASP A 22 7.358 8.983 3.037 1.00 0.00 C ATOM 445 CG ASP A 22 6.271 9.894 2.450 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.535 9.430 1.594 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.196 11.037 2.869 1.00 0.00 O ATOM 0 H ASP A 22 5.276 7.786 3.644 1.00 0.00 H new ATOM 0 HA ASP A 22 7.377 7.390 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.353 9.053 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.341 9.314 2.701 1.00 0.00 H new ATOM 452 N THR A 23 9.060 6.133 2.850 1.00 0.00 N ATOM 453 CA THR A 23 9.987 5.210 3.559 1.00 0.00 C ATOM 454 C THR A 23 11.426 5.570 3.181 1.00 0.00 C ATOM 455 O THR A 23 11.726 5.830 2.032 1.00 0.00 O ATOM 456 CB THR A 23 9.648 3.806 3.049 1.00 0.00 C ATOM 457 OG1 THR A 23 10.031 3.698 1.685 1.00 0.00 O ATOM 458 CG2 THR A 23 8.147 3.541 3.177 1.00 0.00 C ATOM 0 H THR A 23 9.340 6.365 1.897 1.00 0.00 H new ATOM 0 HA THR A 23 9.889 5.273 4.643 1.00 0.00 H new ATOM 0 HB THR A 23 10.188 3.072 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.252 4.587 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.922 2.539 2.811 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.852 3.620 4.223 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.596 4.275 2.588 1.00 0.00 H new ATOM 466 N ASP A 24 12.316 5.593 4.129 1.00 0.00 N ATOM 467 CA ASP A 24 13.731 5.945 3.800 1.00 0.00 C ATOM 468 C ASP A 24 14.624 4.706 3.864 1.00 0.00 C ATOM 469 O ASP A 24 14.273 3.704 4.455 1.00 0.00 O ATOM 470 CB ASP A 24 14.153 6.955 4.864 1.00 0.00 C ATOM 471 CG ASP A 24 15.472 7.612 4.453 1.00 0.00 C ATOM 472 OD1 ASP A 24 15.715 7.714 3.262 1.00 0.00 O ATOM 473 OD2 ASP A 24 16.216 8.002 5.337 1.00 0.00 O ATOM 0 H ASP A 24 12.132 5.386 5.111 1.00 0.00 H new ATOM 0 HA ASP A 24 13.821 6.349 2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.380 7.714 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.267 6.458 5.827 1.00 0.00 H new ATOM 478 N GLY A 25 15.778 4.775 3.261 1.00 0.00 N ATOM 479 CA GLY A 25 16.706 3.607 3.285 1.00 0.00 C ATOM 480 C GLY A 25 17.605 3.634 2.046 1.00 0.00 C ATOM 481 O GLY A 25 17.186 4.012 0.970 1.00 0.00 O ATOM 0 H GLY A 25 16.120 5.590 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.315 3.633 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.136 2.678 3.312 1.00 0.00 H new ATOM 485 N GLU A 26 18.841 3.232 2.188 1.00 0.00 N ATOM 486 CA GLU A 26 19.768 3.233 1.014 1.00 0.00 C ATOM 487 C GLU A 26 20.275 1.797 0.749 1.00 0.00 C ATOM 488 O GLU A 26 20.622 1.101 1.681 1.00 0.00 O ATOM 489 CB GLU A 26 20.939 4.146 1.411 1.00 0.00 C ATOM 490 CG GLU A 26 20.421 5.434 2.068 1.00 0.00 C ATOM 491 CD GLU A 26 19.417 6.123 1.140 1.00 0.00 C ATOM 492 OE1 GLU A 26 19.409 5.802 -0.037 1.00 0.00 O ATOM 493 OE2 GLU A 26 18.672 6.960 1.622 1.00 0.00 O ATOM 0 H GLU A 26 19.249 2.904 3.063 1.00 0.00 H new ATOM 0 HA GLU A 26 19.278 3.583 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.600 3.620 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.530 4.393 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.948 5.201 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.253 6.105 2.280 1.00 0.00 H new ATOM 500 N PRO A 27 20.308 1.379 -0.505 1.00 0.00 N ATOM 501 CA PRO A 27 19.881 2.230 -1.649 1.00 0.00 C ATOM 502 C PRO A 27 18.362 2.409 -1.632 1.00 0.00 C ATOM 503 O PRO A 27 17.710 2.122 -0.648 1.00 0.00 O ATOM 504 CB PRO A 27 20.325 1.441 -2.876 1.00 0.00 C ATOM 505 CG PRO A 27 20.386 0.022 -2.416 1.00 0.00 C ATOM 506 CD PRO A 27 20.748 0.052 -0.955 1.00 0.00 C ATOM 0 HA PRO A 27 20.309 3.232 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.620 1.560 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.296 1.782 -3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.427 -0.474 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.128 -0.537 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.246 -0.743 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.819 -0.084 -0.807 1.00 0.00 H new ATOM 514 N VAL A 28 17.808 2.899 -2.708 1.00 0.00 N ATOM 515 CA VAL A 28 16.329 3.130 -2.783 1.00 0.00 C ATOM 516 C VAL A 28 15.546 1.990 -2.108 1.00 0.00 C ATOM 517 O VAL A 28 15.822 0.829 -2.341 1.00 0.00 O ATOM 518 CB VAL A 28 16.020 3.185 -4.277 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.527 3.441 -4.477 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.818 4.323 -4.916 1.00 0.00 C ATOM 0 H VAL A 28 18.321 3.154 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 28 16.036 4.042 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 28 16.294 2.238 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.304 3.481 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.955 2.636 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.255 4.390 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.600 4.366 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.540 5.269 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.884 4.147 -4.770 1.00 0.00 H new ATOM 530 N PRO A 29 14.600 2.360 -1.273 1.00 0.00 N ATOM 531 CA PRO A 29 13.792 1.349 -0.548 1.00 0.00 C ATOM 532 C PRO A 29 12.799 0.663 -1.489 1.00 0.00 C ATOM 533 O PRO A 29 12.723 0.968 -2.664 1.00 0.00 O ATOM 534 CB PRO A 29 13.053 2.170 0.507 1.00 0.00 C ATOM 535 CG PRO A 29 12.986 3.553 -0.055 1.00 0.00 C ATOM 536 CD PRO A 29 14.198 3.732 -0.928 1.00 0.00 C ATOM 0 HA PRO A 29 14.400 0.552 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.056 1.770 0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.582 2.156 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.071 3.691 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.974 4.294 0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.964 4.315 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.993 4.260 -0.402 1.00 0.00 H new ATOM 544 N THR A 30 12.034 -0.259 -0.974 1.00 0.00 N ATOM 545 CA THR A 30 11.034 -0.972 -1.818 1.00 0.00 C ATOM 546 C THR A 30 9.685 -0.981 -1.099 1.00 0.00 C ATOM 547 O THR A 30 9.608 -0.714 0.083 1.00 0.00 O ATOM 548 CB THR A 30 11.581 -2.394 -1.961 1.00 0.00 C ATOM 549 OG1 THR A 30 12.964 -2.338 -2.281 1.00 0.00 O ATOM 550 CG2 THR A 30 10.827 -3.126 -3.071 1.00 0.00 C ATOM 0 H THR A 30 12.059 -0.551 0.003 1.00 0.00 H new ATOM 0 HA THR A 30 10.884 -0.502 -2.790 1.00 0.00 H new ATOM 0 HB THR A 30 11.447 -2.930 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.316 -3.248 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.219 -4.138 -3.171 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.767 -3.170 -2.823 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.957 -2.592 -4.012 1.00 0.00 H new ATOM 558 N VAL A 31 8.619 -1.279 -1.790 1.00 0.00 N ATOM 559 CA VAL A 31 7.289 -1.289 -1.115 1.00 0.00 C ATOM 560 C VAL A 31 6.441 -2.474 -1.591 1.00 0.00 C ATOM 561 O VAL A 31 6.502 -2.883 -2.734 1.00 0.00 O ATOM 562 CB VAL A 31 6.652 0.065 -1.482 1.00 0.00 C ATOM 563 CG1 VAL A 31 6.027 0.009 -2.874 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.569 0.420 -0.460 1.00 0.00 C ATOM 0 H VAL A 31 8.610 -1.514 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 31 7.370 -1.410 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 31 7.434 0.825 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.583 0.975 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.796 -0.228 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.255 -0.760 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.121 1.378 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.800 -0.353 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.014 0.488 0.533 1.00 0.00 H new ATOM 574 N THR A 32 5.644 -3.022 -0.718 1.00 0.00 N ATOM 575 CA THR A 32 4.784 -4.167 -1.109 1.00 0.00 C ATOM 576 C THR A 32 3.454 -4.062 -0.377 1.00 0.00 C ATOM 577 O THR A 32 3.384 -4.244 0.812 1.00 0.00 O ATOM 578 CB THR A 32 5.537 -5.412 -0.650 1.00 0.00 C ATOM 579 OG1 THR A 32 6.895 -5.323 -1.055 1.00 0.00 O ATOM 580 CG2 THR A 32 4.891 -6.658 -1.263 1.00 0.00 C ATOM 0 H THR A 32 5.552 -2.723 0.253 1.00 0.00 H new ATOM 0 HA THR A 32 4.580 -4.192 -2.180 1.00 0.00 H new ATOM 0 HB THR A 32 5.492 -5.484 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.378 -6.122 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.430 -7.546 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.852 -6.724 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.931 -6.591 -2.350 1.00 0.00 H new ATOM 588 N TRP A 33 2.402 -3.774 -1.068 1.00 0.00 N ATOM 589 CA TRP A 33 1.083 -3.662 -0.382 1.00 0.00 C ATOM 590 C TRP A 33 0.434 -5.050 -0.325 1.00 0.00 C ATOM 591 O TRP A 33 0.225 -5.688 -1.338 1.00 0.00 O ATOM 592 CB TRP A 33 0.269 -2.694 -1.237 1.00 0.00 C ATOM 593 CG TRP A 33 1.018 -1.412 -1.397 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.008 -1.207 -2.281 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.853 -0.166 -0.672 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.469 0.093 -2.149 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.787 0.775 -1.165 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.007 0.228 0.354 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.862 2.071 -0.651 1.00 0.00 C ATOM 600 CZ3 TRP A 33 0.059 1.530 0.879 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.995 2.450 0.376 1.00 0.00 C ATOM 0 H TRP A 33 2.388 -3.610 -2.075 1.00 0.00 H new ATOM 0 HA TRP A 33 1.158 -3.301 0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.071 -3.135 -2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.698 -2.506 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.384 -1.938 -2.982 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.220 0.495 -2.710 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.729 -0.473 0.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.583 2.773 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.612 1.825 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.044 3.449 0.783 1.00 0.00 H new ATOM 612 N LEU A 34 0.142 -5.541 0.853 1.00 0.00 N ATOM 613 CA LEU A 34 -0.464 -6.903 0.958 1.00 0.00 C ATOM 614 C LEU A 34 -1.344 -7.032 2.204 1.00 0.00 C ATOM 615 O LEU A 34 -1.167 -6.331 3.182 1.00 0.00 O ATOM 616 CB LEU A 34 0.724 -7.872 1.011 1.00 0.00 C ATOM 617 CG LEU A 34 1.446 -7.769 2.357 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.416 -8.940 2.490 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.224 -6.455 2.421 1.00 0.00 C ATOM 0 H LEU A 34 0.296 -5.062 1.740 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.120 -7.115 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.374 -8.893 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.419 -7.648 0.202 1.00 0.00 H new ATOM 0 HG LEU A 34 0.718 -7.796 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.935 -8.875 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.863 -9.878 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.143 -8.904 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.738 -6.383 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.956 -6.426 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.534 -5.618 2.315 1.00 0.00 H new ATOM 631 N ARG A 35 -2.298 -7.922 2.168 1.00 0.00 N ATOM 632 CA ARG A 35 -3.201 -8.101 3.334 1.00 0.00 C ATOM 633 C ARG A 35 -3.909 -9.464 3.257 1.00 0.00 C ATOM 634 O ARG A 35 -4.970 -9.646 3.805 1.00 0.00 O ATOM 635 CB ARG A 35 -4.200 -6.958 3.178 1.00 0.00 C ATOM 636 CG ARG A 35 -5.304 -7.087 4.220 1.00 0.00 C ATOM 637 CD ARG A 35 -6.605 -7.549 3.543 1.00 0.00 C ATOM 638 NE ARG A 35 -7.533 -7.882 4.664 1.00 0.00 N ATOM 639 CZ ARG A 35 -7.224 -8.823 5.519 1.00 0.00 C ATOM 640 NH1 ARG A 35 -6.536 -8.533 6.590 1.00 0.00 N ATOM 641 NH2 ARG A 35 -7.600 -10.053 5.300 1.00 0.00 N ATOM 0 H ARG A 35 -2.490 -8.535 1.375 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.682 -8.084 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.691 -6.001 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.630 -6.974 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.010 -7.801 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.462 -6.130 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.019 -6.765 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.431 -8.416 2.905 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.412 -7.374 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.239 -7.572 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.296 -9.267 7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.135 -10.281 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.359 -10.786 5.967 1.00 0.00 H new ATOM 655 N LYS A 36 -3.338 -10.416 2.554 1.00 0.00 N ATOM 656 CA LYS A 36 -3.985 -11.767 2.396 1.00 0.00 C ATOM 657 C LYS A 36 -5.188 -11.669 1.444 1.00 0.00 C ATOM 658 O LYS A 36 -5.859 -12.645 1.178 1.00 0.00 O ATOM 659 CB LYS A 36 -4.438 -12.229 3.791 1.00 0.00 C ATOM 660 CG LYS A 36 -4.810 -13.712 3.742 1.00 0.00 C ATOM 661 CD LYS A 36 -6.334 -13.854 3.811 1.00 0.00 C ATOM 662 CE LYS A 36 -6.729 -15.296 3.478 1.00 0.00 C ATOM 663 NZ LYS A 36 -7.403 -15.221 2.149 1.00 0.00 N ATOM 0 H LYS A 36 -2.442 -10.316 2.077 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.282 -12.483 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.640 -12.067 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.293 -11.639 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.432 -14.163 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.346 -14.243 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.690 -13.589 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.806 -13.165 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.854 -15.945 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.397 -15.706 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.338 -16.144 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.403 -14.969 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.938 -14.497 1.564 1.00 0.00 H new ATOM 677 N GLY A 37 -5.455 -10.500 0.916 1.00 0.00 N ATOM 678 CA GLY A 37 -6.590 -10.342 -0.029 1.00 0.00 C ATOM 679 C GLY A 37 -6.103 -10.728 -1.421 1.00 0.00 C ATOM 680 O GLY A 37 -6.672 -11.565 -2.094 1.00 0.00 O ATOM 0 H GLY A 37 -4.929 -9.647 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.426 -10.974 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.950 -9.313 -0.023 1.00 0.00 H new ATOM 684 N GLN A 38 -5.031 -10.122 -1.829 1.00 0.00 N ATOM 685 CA GLN A 38 -4.424 -10.411 -3.156 1.00 0.00 C ATOM 686 C GLN A 38 -3.181 -9.540 -3.302 1.00 0.00 C ATOM 687 O GLN A 38 -2.954 -8.903 -4.310 1.00 0.00 O ATOM 688 CB GLN A 38 -5.473 -10.031 -4.195 1.00 0.00 C ATOM 689 CG GLN A 38 -4.954 -10.418 -5.578 1.00 0.00 C ATOM 690 CD GLN A 38 -5.239 -11.897 -5.836 1.00 0.00 C ATOM 691 OE1 GLN A 38 -6.303 -12.251 -6.305 1.00 0.00 O ATOM 692 NE2 GLN A 38 -4.322 -12.780 -5.546 1.00 0.00 N ATOM 0 H GLN A 38 -4.534 -9.418 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.135 -11.455 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.413 -10.542 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.676 -8.961 -4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.433 -9.806 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.883 -10.227 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.430 -12.479 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.497 -13.771 -5.713 1.00 0.00 H new ATOM 701 N VAL A 39 -2.391 -9.505 -2.261 1.00 0.00 N ATOM 702 CA VAL A 39 -1.141 -8.672 -2.228 1.00 0.00 C ATOM 703 C VAL A 39 -1.330 -7.328 -2.945 1.00 0.00 C ATOM 704 O VAL A 39 -0.378 -6.765 -3.441 1.00 0.00 O ATOM 705 CB VAL A 39 -0.019 -9.491 -2.902 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.579 -10.457 -1.879 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.542 -10.293 -4.103 1.00 0.00 C ATOM 0 H VAL A 39 -2.562 -10.033 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.886 -8.438 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 39 0.737 -8.794 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.372 -11.039 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.990 -9.892 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.198 -11.130 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.278 -10.856 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.317 -10.983 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.959 -9.610 -4.843 1.00 0.00 H new ATOM 717 N LEU A 40 -2.547 -6.814 -3.004 1.00 0.00 N ATOM 718 CA LEU A 40 -2.801 -5.506 -3.700 1.00 0.00 C ATOM 719 C LEU A 40 -2.011 -5.472 -5.020 1.00 0.00 C ATOM 720 O LEU A 40 -2.450 -6.013 -6.011 1.00 0.00 O ATOM 721 CB LEU A 40 -2.337 -4.415 -2.717 1.00 0.00 C ATOM 722 CG LEU A 40 -3.302 -4.337 -1.523 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.021 -5.484 -0.553 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.108 -3.012 -0.782 1.00 0.00 C ATOM 0 H LEU A 40 -3.375 -7.249 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.849 -5.357 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.329 -4.635 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.295 -3.451 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.324 -4.407 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.708 -5.423 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.159 -6.436 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.995 -5.412 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.795 -2.964 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.082 -2.944 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.308 -2.183 -1.461 1.00 0.00 H new ATOM 736 N SER A 41 -0.831 -4.895 -5.013 1.00 0.00 N ATOM 737 CA SER A 41 0.038 -4.867 -6.237 1.00 0.00 C ATOM 738 C SER A 41 -0.753 -4.728 -7.535 1.00 0.00 C ATOM 739 O SER A 41 -0.347 -5.230 -8.563 1.00 0.00 O ATOM 740 CB SER A 41 0.742 -6.211 -6.218 1.00 0.00 C ATOM 741 OG SER A 41 -0.222 -7.249 -6.339 1.00 0.00 O ATOM 0 H SER A 41 -0.426 -4.435 -4.198 1.00 0.00 H new ATOM 0 HA SER A 41 0.707 -4.007 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.461 -6.269 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.304 -6.327 -5.291 1.00 0.00 H new ATOM 0 HG SER A 41 -1.079 -6.868 -6.624 1.00 0.00 H new ATOM 747 N THR A 42 -1.867 -4.053 -7.488 1.00 0.00 N ATOM 748 CA THR A 42 -2.729 -3.856 -8.714 1.00 0.00 C ATOM 749 C THR A 42 -2.688 -5.076 -9.637 1.00 0.00 C ATOM 750 O THR A 42 -2.684 -4.962 -10.846 1.00 0.00 O ATOM 751 CB THR A 42 -2.192 -2.609 -9.430 1.00 0.00 C ATOM 752 OG1 THR A 42 -2.711 -2.562 -10.750 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.661 -2.619 -9.489 1.00 0.00 C ATOM 0 H THR A 42 -2.233 -3.617 -6.642 1.00 0.00 H new ATOM 0 HA THR A 42 -3.773 -3.729 -8.429 1.00 0.00 H new ATOM 0 HB THR A 42 -2.509 -1.730 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.417 -3.355 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.311 -1.723 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.258 -2.638 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.324 -3.503 -10.031 1.00 0.00 H new ATOM 761 N SER A 43 -2.670 -6.245 -9.065 1.00 0.00 N ATOM 762 CA SER A 43 -2.641 -7.491 -9.885 1.00 0.00 C ATOM 763 C SER A 43 -3.704 -7.424 -10.985 1.00 0.00 C ATOM 764 O SER A 43 -3.585 -8.045 -12.022 1.00 0.00 O ATOM 765 CB SER A 43 -2.962 -8.614 -8.899 1.00 0.00 C ATOM 766 OG SER A 43 -3.815 -8.123 -7.871 1.00 0.00 O ATOM 0 H SER A 43 -2.674 -6.395 -8.056 1.00 0.00 H new ATOM 0 HA SER A 43 -1.681 -7.641 -10.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.444 -9.441 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.041 -9.004 -8.465 1.00 0.00 H new ATOM 0 HG SER A 43 -3.542 -8.503 -7.010 1.00 0.00 H new ATOM 772 N ALA A 44 -4.743 -6.664 -10.760 1.00 0.00 N ATOM 773 CA ALA A 44 -5.828 -6.532 -11.781 1.00 0.00 C ATOM 774 C ALA A 44 -6.971 -5.671 -11.232 1.00 0.00 C ATOM 775 O ALA A 44 -7.703 -5.045 -11.974 1.00 0.00 O ATOM 776 CB ALA A 44 -6.323 -7.957 -12.048 1.00 0.00 C ATOM 0 H ALA A 44 -4.889 -6.124 -9.907 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.467 -6.052 -12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.121 -7.932 -12.790 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.499 -8.564 -12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.701 -8.390 -11.122 1.00 0.00 H new ATOM 782 N ARG A 45 -7.143 -5.648 -9.940 1.00 0.00 N ATOM 783 CA ARG A 45 -8.253 -4.845 -9.349 1.00 0.00 C ATOM 784 C ARG A 45 -7.708 -3.609 -8.622 1.00 0.00 C ATOM 785 O ARG A 45 -8.420 -2.652 -8.391 1.00 0.00 O ATOM 786 CB ARG A 45 -8.944 -5.774 -8.339 1.00 0.00 C ATOM 787 CG ARG A 45 -9.073 -7.192 -8.906 1.00 0.00 C ATOM 788 CD ARG A 45 -10.255 -7.905 -8.242 1.00 0.00 C ATOM 789 NE ARG A 45 -9.864 -8.052 -6.811 1.00 0.00 N ATOM 790 CZ ARG A 45 -9.442 -9.204 -6.363 1.00 0.00 C ATOM 791 NH1 ARG A 45 -8.651 -9.939 -7.097 1.00 0.00 N ATOM 792 NH2 ARG A 45 -9.810 -9.620 -5.181 1.00 0.00 N ATOM 0 H ARG A 45 -6.564 -6.150 -9.267 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.935 -4.491 -10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.373 -5.799 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.932 -5.383 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.220 -7.151 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.153 -7.750 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.172 -7.325 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.439 -8.876 -8.702 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.926 -7.252 -6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.363 -9.613 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.321 -10.839 -6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.427 -9.045 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.480 -10.520 -4.832 1.00 0.00 H new ATOM 806 N HIS A 46 -6.464 -3.633 -8.231 1.00 0.00 N ATOM 807 CA HIS A 46 -5.890 -2.470 -7.483 1.00 0.00 C ATOM 808 C HIS A 46 -5.010 -1.599 -8.393 1.00 0.00 C ATOM 809 O HIS A 46 -4.774 -1.917 -9.541 1.00 0.00 O ATOM 810 CB HIS A 46 -5.026 -3.061 -6.348 1.00 0.00 C ATOM 811 CG HIS A 46 -5.390 -4.496 -6.022 1.00 0.00 C ATOM 812 ND1 HIS A 46 -5.039 -5.692 -6.600 1.00 0.00 N flip ATOM 813 CD2 HIS A 46 -6.215 -4.821 -4.960 1.00 0.00 C flip ATOM 814 CE1 HIS A 46 -5.635 -6.741 -5.908 1.00 0.00 C flip ATOM 815 NE2 HIS A 46 -6.333 -6.161 -4.930 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.818 -4.405 -8.395 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.691 -1.836 -7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.975 -3.013 -6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.141 -2.449 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.680 -4.125 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.551 -7.797 -6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.888 -6.671 -4.243 1.00 0.00 H new ATOM 823 N GLN A 47 -4.513 -0.500 -7.870 1.00 0.00 N ATOM 824 CA GLN A 47 -3.633 0.402 -8.672 1.00 0.00 C ATOM 825 C GLN A 47 -2.525 0.963 -7.770 1.00 0.00 C ATOM 826 O GLN A 47 -2.620 2.064 -7.273 1.00 0.00 O ATOM 827 CB GLN A 47 -4.549 1.526 -9.159 1.00 0.00 C ATOM 828 CG GLN A 47 -3.717 2.583 -9.892 1.00 0.00 C ATOM 829 CD GLN A 47 -2.988 1.934 -11.071 1.00 0.00 C ATOM 830 OE1 GLN A 47 -3.613 1.455 -11.997 1.00 0.00 O ATOM 831 NE2 GLN A 47 -1.684 1.898 -11.076 1.00 0.00 N ATOM 0 H GLN A 47 -4.683 -0.190 -6.913 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.152 -0.111 -9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.313 1.124 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.068 1.978 -8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.362 3.386 -10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.997 3.032 -9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.160 2.300 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.189 1.468 -11.857 1.00 0.00 H new ATOM 840 N VAL A 48 -1.479 0.213 -7.537 1.00 0.00 N ATOM 841 CA VAL A 48 -0.392 0.717 -6.656 1.00 0.00 C ATOM 842 C VAL A 48 0.794 1.204 -7.500 1.00 0.00 C ATOM 843 O VAL A 48 0.919 0.882 -8.665 1.00 0.00 O ATOM 844 CB VAL A 48 -0.023 -0.484 -5.751 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.296 -1.145 -6.180 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.116 -0.001 -4.309 1.00 0.00 C ATOM 0 H VAL A 48 -1.334 -0.722 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.693 1.575 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.818 -1.224 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.516 -1.982 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.205 -1.507 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.104 -0.416 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.376 -0.843 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.900 0.754 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.828 0.431 -3.977 1.00 0.00 H new ATOM 856 N THR A 49 1.663 1.963 -6.906 1.00 0.00 N ATOM 857 CA THR A 49 2.857 2.469 -7.646 1.00 0.00 C ATOM 858 C THR A 49 4.005 2.716 -6.664 1.00 0.00 C ATOM 859 O THR A 49 3.808 2.741 -5.466 1.00 0.00 O ATOM 860 CB THR A 49 2.411 3.779 -8.307 1.00 0.00 C ATOM 861 OG1 THR A 49 3.554 4.471 -8.790 1.00 0.00 O ATOM 862 CG2 THR A 49 1.678 4.653 -7.290 1.00 0.00 C ATOM 0 H THR A 49 1.602 2.260 -5.932 1.00 0.00 H new ATOM 0 HA THR A 49 3.215 1.757 -8.389 1.00 0.00 H new ATOM 0 HB THR A 49 1.738 3.555 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.274 5.308 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.364 5.582 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.802 4.122 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.344 4.880 -6.458 1.00 0.00 H new ATOM 870 N THR A 50 5.197 2.906 -7.154 1.00 0.00 N ATOM 871 CA THR A 50 6.346 3.155 -6.235 1.00 0.00 C ATOM 872 C THR A 50 7.196 4.320 -6.751 1.00 0.00 C ATOM 873 O THR A 50 7.136 4.682 -7.909 1.00 0.00 O ATOM 874 CB THR A 50 7.152 1.854 -6.245 1.00 0.00 C ATOM 875 OG1 THR A 50 7.656 1.619 -7.552 1.00 0.00 O ATOM 876 CG2 THR A 50 6.251 0.692 -5.825 1.00 0.00 C ATOM 0 H THR A 50 5.427 2.900 -8.148 1.00 0.00 H new ATOM 0 HA THR A 50 6.020 3.423 -5.230 1.00 0.00 H new ATOM 0 HB THR A 50 7.984 1.936 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.174 0.787 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.825 -0.235 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.867 0.873 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.417 0.608 -6.522 1.00 0.00 H new ATOM 884 N THR A 51 7.984 4.911 -5.895 1.00 0.00 N ATOM 885 CA THR A 51 8.839 6.055 -6.324 1.00 0.00 C ATOM 886 C THR A 51 10.246 5.898 -5.738 1.00 0.00 C ATOM 887 O THR A 51 10.608 4.845 -5.255 1.00 0.00 O ATOM 888 CB THR A 51 8.151 7.297 -5.749 1.00 0.00 C ATOM 889 OG1 THR A 51 6.744 7.097 -5.737 1.00 0.00 O ATOM 890 CG2 THR A 51 8.486 8.517 -6.609 1.00 0.00 C ATOM 0 H THR A 51 8.073 4.650 -4.913 1.00 0.00 H new ATOM 0 HA THR A 51 8.947 6.116 -7.407 1.00 0.00 H new ATOM 0 HB THR A 51 8.504 7.466 -4.731 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.478 6.698 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.995 9.399 -6.197 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.565 8.672 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.137 8.351 -7.628 1.00 0.00 H new ATOM 898 N LYS A 52 11.042 6.937 -5.768 1.00 0.00 N ATOM 899 CA LYS A 52 12.420 6.836 -5.202 1.00 0.00 C ATOM 900 C LYS A 52 12.364 6.236 -3.794 1.00 0.00 C ATOM 901 O LYS A 52 12.613 5.064 -3.597 1.00 0.00 O ATOM 902 CB LYS A 52 12.934 8.276 -5.150 1.00 0.00 C ATOM 903 CG LYS A 52 13.135 8.802 -6.573 1.00 0.00 C ATOM 904 CD LYS A 52 14.468 8.291 -7.125 1.00 0.00 C ATOM 905 CE LYS A 52 14.210 7.405 -8.345 1.00 0.00 C ATOM 906 NZ LYS A 52 15.413 7.575 -9.205 1.00 0.00 N ATOM 0 H LYS A 52 10.798 7.847 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 52 13.068 6.194 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.224 8.907 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.874 8.317 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.315 8.474 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.123 9.892 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.105 9.131 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.999 7.727 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.076 6.363 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.304 7.709 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.311 6.997 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.511 8.576 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.259 7.271 -8.682 1.00 0.00 H new ATOM 920 N TYR A 53 12.022 7.025 -2.816 1.00 0.00 N ATOM 921 CA TYR A 53 11.934 6.494 -1.429 1.00 0.00 C ATOM 922 C TYR A 53 10.509 6.599 -0.919 1.00 0.00 C ATOM 923 O TYR A 53 10.286 6.723 0.258 1.00 0.00 O ATOM 924 CB TYR A 53 12.815 7.398 -0.584 1.00 0.00 C ATOM 925 CG TYR A 53 14.223 7.410 -1.121 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.542 8.195 -2.234 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.212 6.642 -0.498 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.850 8.211 -2.725 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.520 6.656 -0.989 1.00 0.00 C ATOM 930 CZ TYR A 53 16.842 7.441 -2.103 1.00 0.00 C ATOM 931 OH TYR A 53 18.135 7.455 -2.587 1.00 0.00 O ATOM 0 H TYR A 53 11.799 8.015 -2.917 1.00 0.00 H new ATOM 0 HA TYR A 53 12.241 5.449 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.411 8.411 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.816 7.052 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.778 8.788 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.965 6.038 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.097 8.817 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.283 6.061 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 53 18.731 7.021 -1.941 1.00 0.00 H new ATOM 941 N LYS A 54 9.547 6.582 -1.785 1.00 0.00 N ATOM 942 CA LYS A 54 8.135 6.711 -1.312 1.00 0.00 C ATOM 943 C LYS A 54 7.177 5.979 -2.254 1.00 0.00 C ATOM 944 O LYS A 54 7.317 6.021 -3.460 1.00 0.00 O ATOM 945 CB LYS A 54 7.812 8.222 -1.272 1.00 0.00 C ATOM 946 CG LYS A 54 8.751 9.032 -2.186 1.00 0.00 C ATOM 947 CD LYS A 54 8.147 10.416 -2.435 1.00 0.00 C ATOM 948 CE LYS A 54 7.998 10.645 -3.940 1.00 0.00 C ATOM 949 NZ LYS A 54 8.374 12.071 -4.150 1.00 0.00 N ATOM 0 H LYS A 54 9.666 6.486 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 54 8.016 6.262 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.779 8.381 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.899 8.585 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.733 9.129 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.895 8.510 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.176 10.494 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.784 11.186 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.647 9.978 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.977 10.453 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.297 12.305 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.735 12.683 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.353 12.222 -3.833 1.00 0.00 H new ATOM 963 N SER A 55 6.199 5.315 -1.704 1.00 0.00 N ATOM 964 CA SER A 55 5.221 4.583 -2.550 1.00 0.00 C ATOM 965 C SER A 55 3.845 5.226 -2.442 1.00 0.00 C ATOM 966 O SER A 55 3.615 6.103 -1.638 1.00 0.00 O ATOM 967 CB SER A 55 5.164 3.166 -1.986 1.00 0.00 C ATOM 968 OG SER A 55 4.683 2.297 -2.994 1.00 0.00 O ATOM 0 H SER A 55 6.036 5.249 -0.699 1.00 0.00 H new ATOM 0 HA SER A 55 5.515 4.597 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.154 2.851 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.511 3.132 -1.114 1.00 0.00 H new ATOM 0 HG SER A 55 4.551 2.801 -3.824 1.00 0.00 H new ATOM 974 N THR A 56 2.926 4.782 -3.243 1.00 0.00 N ATOM 975 CA THR A 56 1.557 5.347 -3.192 1.00 0.00 C ATOM 976 C THR A 56 0.555 4.289 -3.636 1.00 0.00 C ATOM 977 O THR A 56 0.759 3.607 -4.620 1.00 0.00 O ATOM 978 CB THR A 56 1.586 6.530 -4.155 1.00 0.00 C ATOM 979 OG1 THR A 56 2.393 6.206 -5.276 1.00 0.00 O ATOM 980 CG2 THR A 56 2.182 7.737 -3.443 1.00 0.00 C ATOM 0 H THR A 56 3.065 4.047 -3.936 1.00 0.00 H new ATOM 0 HA THR A 56 1.259 5.661 -2.192 1.00 0.00 H new ATOM 0 HB THR A 56 0.573 6.757 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.411 6.965 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.206 8.587 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.571 7.986 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.196 7.504 -3.118 1.00 0.00 H new ATOM 988 N PHE A 57 -0.516 4.130 -2.914 1.00 0.00 N ATOM 989 CA PHE A 57 -1.506 3.094 -3.305 1.00 0.00 C ATOM 990 C PHE A 57 -2.894 3.700 -3.496 1.00 0.00 C ATOM 991 O PHE A 57 -3.448 4.306 -2.604 1.00 0.00 O ATOM 992 CB PHE A 57 -1.515 2.093 -2.145 1.00 0.00 C ATOM 993 CG PHE A 57 -2.617 1.070 -2.339 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.964 0.638 -3.628 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.282 0.543 -1.225 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.969 -0.316 -3.802 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.291 -0.412 -1.400 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.634 -0.843 -2.688 1.00 0.00 C ATOM 0 H PHE A 57 -0.747 4.667 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.243 2.626 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.550 1.590 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.661 2.620 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.452 1.044 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.017 0.873 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.233 -0.647 -4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.805 -0.817 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.411 -1.581 -2.822 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.474 3.506 -4.644 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.838 4.040 -4.881 1.00 0.00 C ATOM 1010 C GLU A 58 -5.736 2.903 -5.389 1.00 0.00 C ATOM 1011 O GLU A 58 -5.301 2.057 -6.145 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.670 5.152 -5.935 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.534 4.557 -7.344 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.897 4.586 -8.040 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.892 4.394 -7.360 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.924 4.799 -9.241 1.00 0.00 O ATOM 0 H GLU A 58 -3.062 3.000 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.305 4.439 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.528 5.823 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.789 5.749 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.806 5.125 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.165 3.533 -7.285 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.971 2.865 -4.986 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.859 1.766 -5.468 1.00 0.00 C ATOM 1025 C ILE A 59 -8.989 2.345 -6.309 1.00 0.00 C ATOM 1026 O ILE A 59 -9.716 3.223 -5.889 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.419 1.073 -4.228 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.305 0.886 -3.182 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -8.981 -0.293 -4.635 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.792 0.004 -2.027 1.00 0.00 C ATOM 0 H ILE A 59 -7.404 3.536 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.310 1.059 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.210 1.684 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.432 0.432 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.992 1.857 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.384 -0.797 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.774 -0.156 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.186 -0.899 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.990 -0.116 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.651 0.474 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.081 -0.974 -2.413 1.00 0.00 H new ATOM 1042 N SER A 60 -9.127 1.857 -7.500 1.00 0.00 N ATOM 1043 CA SER A 60 -10.201 2.365 -8.403 1.00 0.00 C ATOM 1044 C SER A 60 -10.657 1.278 -9.386 1.00 0.00 C ATOM 1045 O SER A 60 -11.358 1.553 -10.339 1.00 0.00 O ATOM 1046 CB SER A 60 -9.559 3.529 -9.154 1.00 0.00 C ATOM 1047 OG SER A 60 -9.570 4.683 -8.322 1.00 0.00 O ATOM 0 H SER A 60 -8.541 1.122 -7.897 1.00 0.00 H new ATOM 0 HA SER A 60 -11.089 2.667 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.536 3.277 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.103 3.726 -10.078 1.00 0.00 H new ATOM 0 HG SER A 60 -8.702 4.772 -7.875 1.00 0.00 H new ATOM 1053 N SER A 61 -10.263 0.052 -9.173 1.00 0.00 N ATOM 1054 CA SER A 61 -10.672 -1.034 -10.107 1.00 0.00 C ATOM 1055 C SER A 61 -11.266 -2.223 -9.339 1.00 0.00 C ATOM 1056 O SER A 61 -11.771 -3.159 -9.928 1.00 0.00 O ATOM 1057 CB SER A 61 -9.384 -1.439 -10.809 1.00 0.00 C ATOM 1058 OG SER A 61 -9.481 -2.787 -11.245 1.00 0.00 O ATOM 0 H SER A 61 -9.676 -0.244 -8.393 1.00 0.00 H new ATOM 0 HA SER A 61 -11.442 -0.707 -10.806 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.201 -0.783 -11.660 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.538 -1.326 -10.131 1.00 0.00 H new ATOM 0 HG SER A 61 -10.390 -3.118 -11.086 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.209 -2.200 -8.032 1.00 0.00 N ATOM 1065 CA VAL A 62 -11.768 -3.332 -7.235 1.00 0.00 C ATOM 1066 C VAL A 62 -13.176 -3.694 -7.722 1.00 0.00 C ATOM 1067 O VAL A 62 -14.028 -2.843 -7.879 1.00 0.00 O ATOM 1068 CB VAL A 62 -11.808 -2.815 -5.797 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -12.778 -1.638 -5.700 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.272 -3.936 -4.865 1.00 0.00 C ATOM 0 H VAL A 62 -10.799 -1.445 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.168 -4.237 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.811 -2.486 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.804 -1.272 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.447 -0.838 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.776 -1.963 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.301 -3.568 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.268 -4.266 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.578 -4.774 -4.930 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.232 -6.776 1.048 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.194 -6.596 2.528 1.00 0.00 C ATOM 1132 C GLU A 67 -12.123 -5.120 2.914 1.00 0.00 C ATOM 1133 O GLU A 67 -12.350 -4.240 2.112 1.00 0.00 O ATOM 1134 CB GLU A 67 -10.933 -7.329 2.984 1.00 0.00 C ATOM 1135 CG GLU A 67 -11.311 -8.721 3.483 1.00 0.00 C ATOM 1136 CD GLU A 67 -10.681 -9.778 2.573 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -11.259 -10.058 1.535 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -9.634 -10.288 2.929 1.00 0.00 O ATOM 0 HA GLU A 67 -13.096 -6.986 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.225 -7.406 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.439 -6.768 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.967 -8.857 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.395 -8.834 3.493 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.830 -4.864 4.158 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.762 -3.464 4.659 1.00 0.00 C ATOM 1147 C GLY A 68 -10.339 -3.106 5.094 1.00 0.00 C ATOM 1148 O GLY A 68 -9.964 -1.966 5.068 1.00 0.00 O ATOM 0 H GLY A 68 -11.632 -5.577 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.091 -2.778 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.445 -3.341 5.500 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.562 -4.061 5.520 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.170 -3.766 5.982 1.00 0.00 C ATOM 1154 C ASN A 69 -7.123 -4.100 4.902 1.00 0.00 C ATOM 1155 O ASN A 69 -7.257 -5.056 4.176 1.00 0.00 O ATOM 1156 CB ASN A 69 -7.977 -4.678 7.197 1.00 0.00 C ATOM 1157 CG ASN A 69 -6.553 -4.530 7.742 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -5.794 -3.699 7.284 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -6.156 -5.310 8.709 1.00 0.00 N ATOM 0 H ASN A 69 -9.831 -5.044 5.570 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.039 -2.708 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.700 -4.423 7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.162 -5.715 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.210 -5.222 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.792 -6.008 9.095 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.070 -3.320 4.819 1.00 0.00 N ATOM 1167 CA TYR A 70 -4.975 -3.576 3.832 1.00 0.00 C ATOM 1168 C TYR A 70 -3.662 -3.031 4.419 1.00 0.00 C ATOM 1169 O TYR A 70 -3.690 -2.189 5.296 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.372 -2.811 2.572 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.100 -3.739 1.629 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.477 -4.908 1.170 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.398 -3.431 1.215 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.159 -5.763 0.292 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.079 -4.284 0.339 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.458 -5.451 -0.122 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.127 -6.292 -0.984 1.00 0.00 O ATOM 0 H TYR A 70 -5.922 -2.500 5.407 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.833 -4.634 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.009 -1.966 2.832 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.485 -2.404 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.475 -5.150 1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.878 -2.532 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.681 -6.663 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.082 -4.042 0.019 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.018 -5.929 -1.170 1.00 0.00 H new ATOM 1187 N SER A 71 -2.510 -3.484 3.977 1.00 0.00 N ATOM 1188 CA SER A 71 -1.250 -2.937 4.580 1.00 0.00 C ATOM 1189 C SER A 71 -0.107 -2.857 3.563 1.00 0.00 C ATOM 1190 O SER A 71 -0.293 -3.068 2.382 1.00 0.00 O ATOM 1191 CB SER A 71 -0.874 -3.878 5.725 1.00 0.00 C ATOM 1192 OG SER A 71 -1.827 -4.930 5.835 1.00 0.00 O ATOM 0 H SER A 71 -2.388 -4.187 3.248 1.00 0.00 H new ATOM 0 HA SER A 71 -1.417 -1.918 4.928 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.118 -4.294 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.827 -3.322 6.661 1.00 0.00 H new ATOM 0 HG SER A 71 -1.714 -5.553 5.087 1.00 0.00 H new ATOM 1198 N VAL A 72 1.075 -2.524 4.026 1.00 0.00 N ATOM 1199 CA VAL A 72 2.245 -2.394 3.093 1.00 0.00 C ATOM 1200 C VAL A 72 3.575 -2.708 3.795 1.00 0.00 C ATOM 1201 O VAL A 72 4.041 -1.954 4.620 1.00 0.00 O ATOM 1202 CB VAL A 72 2.227 -0.925 2.671 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.295 -0.051 3.919 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.434 -0.613 1.784 1.00 0.00 C ATOM 0 H VAL A 72 1.282 -2.337 5.007 1.00 0.00 H new ATOM 0 HA VAL A 72 2.167 -3.091 2.259 1.00 0.00 H new ATOM 0 HB VAL A 72 1.312 -0.726 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.283 1.000 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.437 -0.261 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.214 -0.266 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.408 0.437 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.352 -0.813 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.402 -1.240 0.893 1.00 0.00 H new ATOM 1214 N VAL A 73 4.207 -3.792 3.447 1.00 0.00 N ATOM 1215 CA VAL A 73 5.516 -4.123 4.078 1.00 0.00 C ATOM 1216 C VAL A 73 6.672 -3.514 3.274 1.00 0.00 C ATOM 1217 O VAL A 73 7.072 -4.019 2.245 1.00 0.00 O ATOM 1218 CB VAL A 73 5.603 -5.656 4.112 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.447 -6.205 4.949 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.532 -6.250 2.700 1.00 0.00 C ATOM 0 H VAL A 73 3.876 -4.463 2.754 1.00 0.00 H new ATOM 0 HA VAL A 73 5.590 -3.711 5.084 1.00 0.00 H new ATOM 0 HB VAL A 73 6.560 -5.936 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.503 -7.293 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.514 -5.812 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.499 -5.902 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.596 -7.337 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.589 -5.967 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.361 -5.869 2.103 1.00 0.00 H new ATOM 1230 N VAL A 74 7.209 -2.424 3.750 1.00 0.00 N ATOM 1231 CA VAL A 74 8.339 -1.761 3.039 1.00 0.00 C ATOM 1232 C VAL A 74 9.678 -2.349 3.533 1.00 0.00 C ATOM 1233 O VAL A 74 9.955 -2.375 4.717 1.00 0.00 O ATOM 1234 CB VAL A 74 8.172 -0.257 3.390 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.335 0.275 4.246 1.00 0.00 C ATOM 1236 CG2 VAL A 74 8.097 0.555 2.099 1.00 0.00 C ATOM 0 H VAL A 74 6.911 -1.961 4.608 1.00 0.00 H new ATOM 0 HA VAL A 74 8.337 -1.911 1.959 1.00 0.00 H new ATOM 0 HB VAL A 74 7.255 -0.155 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.172 1.330 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.386 -0.286 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.271 0.158 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.980 1.612 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.013 0.413 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.244 0.221 1.508 1.00 0.00 H new ATOM 1246 N GLU A 75 10.505 -2.810 2.635 1.00 0.00 N ATOM 1247 CA GLU A 75 11.822 -3.385 3.048 1.00 0.00 C ATOM 1248 C GLU A 75 12.914 -2.912 2.084 1.00 0.00 C ATOM 1249 O GLU A 75 12.633 -2.266 1.096 1.00 0.00 O ATOM 1250 CB GLU A 75 11.643 -4.903 2.957 1.00 0.00 C ATOM 1251 CG GLU A 75 11.172 -5.276 1.556 1.00 0.00 C ATOM 1252 CD GLU A 75 11.169 -6.798 1.405 1.00 0.00 C ATOM 1253 OE1 GLU A 75 10.596 -7.458 2.257 1.00 0.00 O ATOM 1254 OE2 GLU A 75 11.740 -7.279 0.440 1.00 0.00 O ATOM 0 H GLU A 75 10.327 -2.814 1.631 1.00 0.00 H new ATOM 0 HA GLU A 75 12.118 -3.076 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.584 -5.405 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.918 -5.239 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.171 -4.881 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.827 -4.827 0.809 1.00 0.00 H new ATOM 1261 N ASN A 76 14.156 -3.225 2.351 1.00 0.00 N ATOM 1262 CA ASN A 76 15.237 -2.776 1.422 1.00 0.00 C ATOM 1263 C ASN A 76 16.465 -3.681 1.528 1.00 0.00 C ATOM 1264 O ASN A 76 16.399 -4.800 1.997 1.00 0.00 O ATOM 1265 CB ASN A 76 15.525 -1.307 1.822 1.00 0.00 C ATOM 1266 CG ASN A 76 16.797 -1.130 2.669 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.831 -1.493 3.825 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.842 -0.558 2.138 1.00 0.00 N ATOM 0 H ASN A 76 14.466 -3.764 3.160 1.00 0.00 H new ATOM 0 HA ASN A 76 14.944 -2.838 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.616 -0.706 0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.672 -0.918 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.685 -0.417 2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.817 -0.251 1.165 1.00 0.00 H new ATOM 1275 N SER A 77 17.579 -3.192 1.081 1.00 0.00 N ATOM 1276 CA SER A 77 18.836 -3.993 1.127 1.00 0.00 C ATOM 1277 C SER A 77 19.051 -4.617 2.507 1.00 0.00 C ATOM 1278 O SER A 77 19.774 -5.583 2.648 1.00 0.00 O ATOM 1279 CB SER A 77 19.953 -3.000 0.813 1.00 0.00 C ATOM 1280 OG SER A 77 19.924 -1.943 1.763 1.00 0.00 O ATOM 0 H SER A 77 17.679 -2.260 0.679 1.00 0.00 H new ATOM 0 HA SER A 77 18.805 -4.822 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.920 -3.502 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.829 -2.602 -0.194 1.00 0.00 H new ATOM 0 HG SER A 77 20.758 -1.431 1.709 1.00 0.00 H new ATOM 1286 N GLU A 78 18.448 -4.078 3.529 1.00 0.00 N ATOM 1287 CA GLU A 78 18.657 -4.671 4.893 1.00 0.00 C ATOM 1288 C GLU A 78 17.536 -4.299 5.880 1.00 0.00 C ATOM 1289 O GLU A 78 17.643 -4.563 7.061 1.00 0.00 O ATOM 1290 CB GLU A 78 20.008 -4.123 5.384 1.00 0.00 C ATOM 1291 CG GLU A 78 20.129 -2.623 5.078 1.00 0.00 C ATOM 1292 CD GLU A 78 21.238 -2.390 4.047 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.612 -3.339 3.379 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.689 -1.262 3.941 1.00 0.00 O ATOM 0 H GLU A 78 17.829 -3.268 3.489 1.00 0.00 H new ATOM 0 HA GLU A 78 18.645 -5.759 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 78 20.105 -4.289 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.822 -4.664 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.181 -2.243 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.349 -2.073 5.993 1.00 0.00 H new ATOM 1301 N GLY A 79 16.463 -3.708 5.426 1.00 0.00 N ATOM 1302 CA GLY A 79 15.362 -3.355 6.364 1.00 0.00 C ATOM 1303 C GLY A 79 14.105 -4.131 5.978 1.00 0.00 C ATOM 1304 O GLY A 79 14.098 -4.880 5.022 1.00 0.00 O ATOM 0 H GLY A 79 16.303 -3.456 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.650 -3.593 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.167 -2.283 6.328 1.00 0.00 H new ATOM 1308 N LYS A 80 13.037 -3.955 6.706 1.00 0.00 N ATOM 1309 CA LYS A 80 11.782 -4.686 6.365 1.00 0.00 C ATOM 1310 C LYS A 80 10.632 -4.251 7.281 1.00 0.00 C ATOM 1311 O LYS A 80 9.938 -5.067 7.853 1.00 0.00 O ATOM 1312 CB LYS A 80 12.109 -6.167 6.576 1.00 0.00 C ATOM 1313 CG LYS A 80 12.645 -6.385 7.994 1.00 0.00 C ATOM 1314 CD LYS A 80 11.532 -6.947 8.878 1.00 0.00 C ATOM 1315 CE LYS A 80 11.970 -8.294 9.458 1.00 0.00 C ATOM 1316 NZ LYS A 80 11.575 -9.300 8.433 1.00 0.00 N ATOM 0 H LYS A 80 12.978 -3.340 7.518 1.00 0.00 H new ATOM 0 HA LYS A 80 11.459 -4.481 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.216 -6.772 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.848 -6.493 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.490 -7.073 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.010 -5.444 8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.306 -6.249 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.618 -7.070 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.045 -8.315 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.482 -8.490 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.843 -10.251 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.546 -9.261 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.060 -9.092 7.537 1.00 0.00 H new ATOM 1330 N GLN A 81 10.414 -2.972 7.413 1.00 0.00 N ATOM 1331 CA GLN A 81 9.297 -2.494 8.280 1.00 0.00 C ATOM 1332 C GLN A 81 8.016 -2.398 7.447 1.00 0.00 C ATOM 1333 O GLN A 81 8.047 -2.561 6.247 1.00 0.00 O ATOM 1334 CB GLN A 81 9.732 -1.110 8.768 1.00 0.00 C ATOM 1335 CG GLN A 81 8.653 -0.528 9.681 1.00 0.00 C ATOM 1336 CD GLN A 81 9.153 0.769 10.313 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.319 0.897 10.631 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.310 1.745 10.506 1.00 0.00 N ATOM 0 H GLN A 81 10.958 -2.238 6.960 1.00 0.00 H new ATOM 0 HA GLN A 81 9.094 -3.164 9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.677 -1.183 9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.899 -0.449 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.744 -0.338 9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.396 -1.247 10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.332 1.635 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.629 2.619 10.925 1.00 0.00 H new ATOM 1347 N GLU A 82 6.891 -2.155 8.066 1.00 0.00 N ATOM 1348 CA GLU A 82 5.617 -2.071 7.290 1.00 0.00 C ATOM 1349 C GLU A 82 4.672 -1.033 7.889 1.00 0.00 C ATOM 1350 O GLU A 82 4.978 -0.361 8.853 1.00 0.00 O ATOM 1351 CB GLU A 82 5.003 -3.471 7.398 1.00 0.00 C ATOM 1352 CG GLU A 82 4.639 -3.768 8.855 1.00 0.00 C ATOM 1353 CD GLU A 82 3.136 -4.033 8.961 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.374 -3.123 8.677 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.772 -5.139 9.323 1.00 0.00 O ATOM 0 H GLU A 82 6.798 -2.011 9.072 1.00 0.00 H new ATOM 0 HA GLU A 82 5.793 -1.767 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.114 -3.537 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.708 -4.217 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.198 -4.633 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.916 -2.926 9.489 1.00 0.00 H new ATOM 1362 N ALA A 83 3.522 -0.918 7.304 1.00 0.00 N ATOM 1363 CA ALA A 83 2.504 0.044 7.781 1.00 0.00 C ATOM 1364 C ALA A 83 1.157 -0.659 7.726 1.00 0.00 C ATOM 1365 O ALA A 83 0.989 -1.598 6.975 1.00 0.00 O ATOM 1366 CB ALA A 83 2.565 1.197 6.777 1.00 0.00 C ATOM 0 H ALA A 83 3.238 -1.466 6.492 1.00 0.00 H new ATOM 0 HA ALA A 83 2.662 0.404 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.839 1.961 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.565 1.630 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.334 0.823 5.779 1.00 0.00 H new ATOM 1372 N GLU A 84 0.201 -0.253 8.504 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.101 -0.966 8.447 1.00 0.00 C ATOM 1374 C GLU A 84 -2.277 0.012 8.468 1.00 0.00 C ATOM 1375 O GLU A 84 -2.469 0.765 9.403 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.121 -1.859 9.687 1.00 0.00 C ATOM 1377 CG GLU A 84 -0.622 -3.258 9.317 1.00 0.00 C ATOM 1378 CD GLU A 84 -1.778 -4.079 8.739 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.745 -3.479 8.301 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -1.673 -5.295 8.739 1.00 0.00 O ATOM 0 H GLU A 84 0.258 0.523 9.163 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.202 -1.538 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.491 -1.431 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.132 -1.917 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.186 -3.186 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.215 -3.755 10.198 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.080 -0.031 7.448 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.280 0.845 7.373 1.00 0.00 C ATOM 1389 C PHE A 85 -5.438 -0.019 6.892 1.00 0.00 C ATOM 1390 O PHE A 85 -5.346 -1.229 6.928 1.00 0.00 O ATOM 1391 CB PHE A 85 -3.938 1.930 6.348 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.497 1.286 5.054 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -2.184 0.820 4.917 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -4.401 1.156 3.993 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -1.776 0.223 3.718 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -3.992 0.560 2.795 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.680 0.094 2.658 1.00 0.00 C ATOM 0 H PHE A 85 -2.954 -0.648 6.646 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.554 1.301 8.324 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.807 2.565 6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.147 2.572 6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.486 0.921 5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.414 1.516 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.764 -0.138 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.689 0.460 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.365 -0.366 1.733 1.00 0.00 H new ATOM 1407 N THR A 86 -6.524 0.550 6.441 1.00 0.00 N ATOM 1408 CA THR A 86 -7.636 -0.314 5.969 1.00 0.00 C ATOM 1409 C THR A 86 -8.452 0.353 4.865 1.00 0.00 C ATOM 1410 O THR A 86 -8.892 1.480 4.981 1.00 0.00 O ATOM 1411 CB THR A 86 -8.506 -0.579 7.200 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.036 0.647 7.684 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.673 -1.249 8.291 1.00 0.00 C ATOM 0 H THR A 86 -6.685 1.555 6.381 1.00 0.00 H new ATOM 0 HA THR A 86 -7.250 -1.236 5.534 1.00 0.00 H new ATOM 0 HB THR A 86 -9.326 -1.241 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.066 1.301 6.955 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.299 -1.435 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.279 -2.195 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.846 -0.596 8.570 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.695 -0.378 3.812 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.527 0.143 2.702 1.00 0.00 C ATOM 1423 C LEU A 87 -10.730 -0.768 2.568 1.00 0.00 C ATOM 1424 O LEU A 87 -10.590 -1.975 2.579 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.660 0.060 1.453 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.100 1.436 1.133 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -9.244 2.439 0.967 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -7.180 1.873 2.276 1.00 0.00 C ATOM 0 H LEU A 87 -8.345 -1.327 3.676 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.869 1.165 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.846 -0.648 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.248 -0.309 0.613 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.535 1.397 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.835 3.423 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.894 2.118 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.819 2.492 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.772 2.860 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.748 1.913 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.364 1.158 2.380 1.00 0.00 H new ATOM 1440 N THR A 88 -11.907 -0.227 2.468 1.00 0.00 N ATOM 1441 CA THR A 88 -13.089 -1.128 2.374 1.00 0.00 C ATOM 1442 C THR A 88 -13.985 -0.827 1.193 1.00 0.00 C ATOM 1443 O THR A 88 -13.812 0.127 0.458 1.00 0.00 O ATOM 1444 CB THR A 88 -13.859 -0.979 3.690 1.00 0.00 C ATOM 1445 OG1 THR A 88 -12.986 -0.506 4.708 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.427 -2.344 4.089 1.00 0.00 C ATOM 0 H THR A 88 -12.103 0.774 2.447 1.00 0.00 H new ATOM 0 HA THR A 88 -12.747 -2.151 2.214 1.00 0.00 H new ATOM 0 HB THR A 88 -14.672 -0.264 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.126 0.455 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.977 -2.250 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.098 -2.701 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.610 -3.054 4.218 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.930 -1.695 1.014 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.869 -1.589 -0.115 1.00 0.00 C ATOM 1456 C ILE A 89 -17.227 -2.173 0.281 1.00 0.00 C ATOM 1457 O ILE A 89 -17.327 -3.007 1.158 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.204 -2.390 -1.251 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -14.421 -3.614 -0.720 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -14.205 -1.472 -1.949 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -15.305 -4.501 0.163 1.00 0.00 C ATOM 0 H ILE A 89 -15.092 -2.496 1.624 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.061 -0.560 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.988 -2.745 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -14.041 -4.197 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.557 -3.275 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.718 -2.014 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.728 -0.606 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.454 -1.139 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.725 -5.352 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -15.664 -3.924 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -16.156 -4.859 -0.417 1.00 0.00 H new