USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 40 LYS NZ :NH3+ 165:sc= 0.579 (180deg=0.466) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.746 F(o=-2.2!,f=-0.75) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 153:sc= 0.972 USER MOD Single : A 64 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.013) USER MOD Single : A 65 THR OG1 : rot -102:sc= 0.962 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 175:sc= -0.391 (180deg=-0.406) USER MOD Single : A 73 GLN : amide:sc= -3.08! C(o=-3.1!,f=-6.6!) USER MOD Single : A 78 ASN : amide:sc= 0.465 K(o=0.47,f=-8.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -70:sc= 0.941 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -106:sc= 0.477 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.5) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.72) USER MOD Single : A 97 GLN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 98 SER OG : rot 49:sc= 0.671 USER MOD Single : A 104 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 110 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4.7!) USER MOD Single : A 111 MET CE :methyl 176:sc= -0.641 (180deg=-0.661) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.516 -14.502 5.495 1.00 0.00 N ATOM 84 CA TYR A 9 -8.409 -15.053 4.154 1.00 0.00 C ATOM 85 C TYR A 9 -7.856 -16.479 4.191 1.00 0.00 C ATOM 86 O TYR A 9 -7.448 -16.964 5.246 1.00 0.00 O ATOM 87 CB TYR A 9 -7.422 -14.155 3.406 1.00 0.00 C ATOM 88 CG TYR A 9 -8.088 -13.074 2.553 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.205 -13.378 1.803 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.571 -11.794 2.535 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.832 -12.359 1.000 1.00 0.00 C ATOM 92 CE2 TYR A 9 -8.197 -10.776 1.732 1.00 0.00 C ATOM 93 CZ TYR A 9 -9.297 -11.108 1.004 1.00 0.00 C ATOM 94 OH TYR A 9 -9.889 -10.147 0.247 1.00 0.00 O ATOM 0 HA TYR A 9 -9.387 -15.089 3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.761 -13.677 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.796 -14.775 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.609 -14.379 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.697 -11.556 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.707 -12.583 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.802 -9.771 1.708 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.400 -9.304 0.348 1.00 0.00 H new ATOM 104 N ILE A 10 -7.860 -17.112 3.027 1.00 0.00 N ATOM 105 CA ILE A 10 -7.364 -18.473 2.913 1.00 0.00 C ATOM 106 C ILE A 10 -5.834 -18.452 2.879 1.00 0.00 C ATOM 107 O ILE A 10 -5.191 -19.478 3.095 1.00 0.00 O ATOM 108 CB ILE A 10 -7.996 -19.174 1.710 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.529 -18.541 0.398 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.522 -19.193 1.824 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.894 -19.588 -0.520 1.00 0.00 C ATOM 0 H ILE A 10 -8.199 -16.707 2.154 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.656 -19.060 3.784 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.660 -20.211 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.375 -18.075 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.808 -17.751 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.945 -19.697 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.813 -19.725 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.896 -18.170 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.571 -19.112 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.034 -20.035 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.625 -20.364 -0.747 1.00 0.00 H new ATOM 123 N PHE A 11 -5.296 -17.273 2.606 1.00 0.00 N ATOM 124 CA PHE A 11 -3.854 -17.105 2.541 1.00 0.00 C ATOM 125 C PHE A 11 -3.343 -16.289 3.730 1.00 0.00 C ATOM 126 O PHE A 11 -4.119 -15.607 4.399 1.00 0.00 O ATOM 127 CB PHE A 11 -3.550 -16.346 1.248 1.00 0.00 C ATOM 128 CG PHE A 11 -4.487 -15.165 0.984 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.283 -13.981 1.622 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.522 -15.299 0.114 1.00 0.00 C ATOM 131 CE1 PHE A 11 -5.152 -12.884 1.377 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.392 -14.203 -0.130 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.187 -13.018 0.507 1.00 0.00 C ATOM 0 H PHE A 11 -5.833 -16.424 2.427 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.364 -18.079 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.524 -15.981 1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.611 -17.039 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.461 -13.875 2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.683 -16.239 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.990 -11.943 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.216 -14.310 -0.820 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.847 -12.184 0.321 1.00 0.00 H new ATOM 143 N PRO A 12 -2.007 -16.388 3.963 1.00 0.00 N ATOM 144 CA PRO A 12 -1.383 -15.667 5.059 1.00 0.00 C ATOM 145 C PRO A 12 -1.251 -14.178 4.732 1.00 0.00 C ATOM 146 O PRO A 12 -0.604 -13.809 3.752 1.00 0.00 O ATOM 147 CB PRO A 12 -0.041 -16.351 5.267 1.00 0.00 C ATOM 148 CG PRO A 12 0.236 -17.123 3.987 1.00 0.00 C ATOM 149 CD PRO A 12 -1.058 -17.186 3.191 1.00 0.00 C ATOM 0 HA PRO A 12 -1.976 -15.697 5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.744 -15.620 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.073 -17.020 6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.017 -16.632 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.592 -18.127 4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.926 -16.782 2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.404 -18.213 3.078 1.00 0.00 H new ATOM 157 N HIS A 13 -1.874 -13.363 5.570 1.00 0.00 N ATOM 158 CA HIS A 13 -1.834 -11.923 5.383 1.00 0.00 C ATOM 159 C HIS A 13 -1.611 -11.236 6.731 1.00 0.00 C ATOM 160 O HIS A 13 -1.615 -11.889 7.774 1.00 0.00 O ATOM 161 CB HIS A 13 -3.095 -11.433 4.669 1.00 0.00 C ATOM 162 CG HIS A 13 -4.150 -10.879 5.596 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.510 -11.250 6.859 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -4.971 -9.820 5.251 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -5.496 -10.460 7.263 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -5.783 -9.572 6.268 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.410 -13.673 6.381 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.996 -11.660 4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.817 -10.662 3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.523 -12.259 4.101 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.092 -12.006 7.401 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.953 -9.286 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.990 -10.511 8.222 1.00 0.00 H new ATOM 174 N ALA A 14 -1.422 -9.926 6.668 1.00 0.00 N ATOM 175 CA ALA A 14 -1.198 -9.143 7.871 1.00 0.00 C ATOM 176 C ALA A 14 -1.619 -7.694 7.617 1.00 0.00 C ATOM 177 O ALA A 14 -1.305 -7.126 6.572 1.00 0.00 O ATOM 178 CB ALA A 14 0.269 -9.258 8.290 1.00 0.00 C ATOM 0 H ALA A 14 -1.419 -9.387 5.802 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.803 -9.523 8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.437 -8.670 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.510 -10.303 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.907 -8.883 7.489 1.00 0.00 H new ATOM 184 N ARG A 15 -2.323 -7.137 8.591 1.00 0.00 N ATOM 185 CA ARG A 15 -2.791 -5.765 8.486 1.00 0.00 C ATOM 186 C ARG A 15 -2.015 -4.865 9.449 1.00 0.00 C ATOM 187 O ARG A 15 -2.439 -4.651 10.583 1.00 0.00 O ATOM 188 CB ARG A 15 -4.286 -5.667 8.800 1.00 0.00 C ATOM 189 CG ARG A 15 -5.123 -6.300 7.686 1.00 0.00 C ATOM 190 CD ARG A 15 -6.570 -6.505 8.137 1.00 0.00 C ATOM 191 NE ARG A 15 -7.373 -5.303 7.822 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.428 -4.211 8.597 1.00 0.00 C ATOM 193 NH1 ARG A 15 -6.728 -4.164 9.739 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.184 -3.168 8.232 1.00 0.00 N ATOM 0 H ARG A 15 -2.581 -7.611 9.457 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.624 -5.435 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.496 -6.166 9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.568 -4.621 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.101 -5.662 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.689 -7.258 7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.995 -7.377 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.601 -6.703 9.208 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.919 -5.306 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.154 -4.959 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.770 -3.333 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.718 -3.204 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.226 -2.337 8.822 1.00 0.00 H new ATOM 208 N ILE A 16 -0.891 -4.360 8.960 1.00 0.00 N ATOM 209 CA ILE A 16 -0.052 -3.487 9.763 1.00 0.00 C ATOM 210 C ILE A 16 -0.338 -2.030 9.394 1.00 0.00 C ATOM 211 O ILE A 16 -0.366 -1.678 8.215 1.00 0.00 O ATOM 212 CB ILE A 16 1.420 -3.880 9.621 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.627 -5.359 9.949 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.314 -2.974 10.469 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.796 -5.568 11.455 1.00 0.00 C ATOM 0 H ILE A 16 -0.542 -4.539 8.018 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.288 -3.600 10.821 1.00 0.00 H new ATOM 0 HB ILE A 16 1.712 -3.737 8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.775 -5.937 9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.507 -5.732 9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.355 -3.275 10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.196 -1.940 10.145 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.029 -3.060 11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.942 -6.628 11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.663 -5.008 11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.904 -5.217 11.973 1.00 0.00 H new ATOM 227 N LYS A 17 -0.544 -1.222 10.424 1.00 0.00 N ATOM 228 CA LYS A 17 -0.826 0.189 10.222 1.00 0.00 C ATOM 229 C LYS A 17 0.488 0.972 10.205 1.00 0.00 C ATOM 230 O LYS A 17 1.506 0.492 10.703 1.00 0.00 O ATOM 231 CB LYS A 17 -1.826 0.689 11.268 1.00 0.00 C ATOM 232 CG LYS A 17 -1.173 0.789 12.647 1.00 0.00 C ATOM 233 CD LYS A 17 -1.907 1.800 13.530 1.00 0.00 C ATOM 234 CE LYS A 17 -2.124 1.244 14.939 1.00 0.00 C ATOM 235 NZ LYS A 17 -3.518 0.777 15.103 1.00 0.00 N ATOM 0 H LYS A 17 -0.521 -1.517 11.400 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.303 0.347 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.210 1.665 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.679 0.012 11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.178 -0.189 13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.130 1.086 12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.332 2.725 13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.869 2.049 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.434 0.420 15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.903 2.014 15.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.648 0.403 16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.171 1.572 14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.717 0.027 14.410 1.00 0.00 H new ATOM 249 N ILE A 18 0.423 2.161 9.627 1.00 0.00 N ATOM 250 CA ILE A 18 1.596 3.015 9.538 1.00 0.00 C ATOM 251 C ILE A 18 1.253 4.406 10.075 1.00 0.00 C ATOM 252 O ILE A 18 0.349 5.066 9.564 1.00 0.00 O ATOM 253 CB ILE A 18 2.144 3.026 8.109 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.333 1.602 7.584 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.434 3.845 8.023 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.953 1.509 6.105 1.00 0.00 C ATOM 0 H ILE A 18 -0.423 2.554 9.215 1.00 0.00 H new ATOM 0 HA ILE A 18 2.400 2.622 10.161 1.00 0.00 H new ATOM 0 HB ILE A 18 1.411 3.512 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.371 1.296 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.721 0.912 8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.803 3.837 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.234 4.872 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.186 3.410 8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.096 0.486 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.908 1.792 5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.584 2.182 5.524 1.00 0.00 H new ATOM 268 N THR A 19 1.990 4.808 11.099 1.00 0.00 N ATOM 269 CA THR A 19 1.774 6.109 11.711 1.00 0.00 C ATOM 270 C THR A 19 2.834 7.104 11.238 1.00 0.00 C ATOM 271 O THR A 19 3.988 6.732 11.025 1.00 0.00 O ATOM 272 CB THR A 19 1.752 5.919 13.229 1.00 0.00 C ATOM 273 OG1 THR A 19 2.338 4.634 13.427 1.00 0.00 O ATOM 274 CG2 THR A 19 0.334 5.771 13.782 1.00 0.00 C ATOM 0 H THR A 19 2.737 4.257 11.521 1.00 0.00 H new ATOM 0 HA THR A 19 0.817 6.535 11.408 1.00 0.00 H new ATOM 0 HB THR A 19 2.240 6.768 13.707 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.365 4.431 14.385 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.377 5.639 14.863 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.243 6.666 13.548 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.144 4.903 13.329 1.00 0.00 H new ATOM 449 N LEU A 32 5.733 8.444 6.870 1.00 0.00 N ATOM 450 CA LEU A 32 5.341 7.199 6.230 1.00 0.00 C ATOM 451 C LEU A 32 6.541 6.616 5.482 1.00 0.00 C ATOM 452 O LEU A 32 7.119 5.618 5.911 1.00 0.00 O ATOM 453 CB LEU A 32 4.111 7.415 5.347 1.00 0.00 C ATOM 454 CG LEU A 32 2.759 7.090 5.986 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.585 7.838 7.309 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.612 7.367 5.014 1.00 0.00 C ATOM 0 HA LEU A 32 5.043 6.463 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.097 8.457 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.222 6.806 4.450 1.00 0.00 H new ATOM 0 HG LEU A 32 2.736 6.024 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.616 7.590 7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.377 7.546 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.638 8.912 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.663 7.128 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.621 8.420 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.734 6.751 4.123 1.00 0.00 H new ATOM 468 N GLY A 33 6.880 7.262 4.376 1.00 0.00 N ATOM 469 CA GLY A 33 8.001 6.820 3.564 1.00 0.00 C ATOM 470 C GLY A 33 7.746 5.422 2.994 1.00 0.00 C ATOM 471 O GLY A 33 8.227 4.428 3.539 1.00 0.00 O ATOM 0 H GLY A 33 6.398 8.089 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.165 7.525 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.910 6.811 4.166 1.00 0.00 H new ATOM 475 N ILE A 34 6.992 5.390 1.905 1.00 0.00 N ATOM 476 CA ILE A 34 6.669 4.132 1.256 1.00 0.00 C ATOM 477 C ILE A 34 6.382 4.387 -0.225 1.00 0.00 C ATOM 478 O ILE A 34 5.583 5.258 -0.566 1.00 0.00 O ATOM 479 CB ILE A 34 5.525 3.428 1.991 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.323 2.008 1.457 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.240 4.254 1.924 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.964 1.043 2.590 1.00 0.00 C ATOM 0 H ILE A 34 6.596 6.216 1.456 1.00 0.00 H new ATOM 0 HA ILE A 34 7.517 3.449 1.305 1.00 0.00 H new ATOM 0 HB ILE A 34 5.797 3.341 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.531 2.006 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.232 1.669 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.443 3.731 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.408 5.226 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.952 4.394 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.826 0.041 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.769 1.029 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.041 1.371 3.069 1.00 0.00 H new ATOM 494 N ARG A 35 7.050 3.610 -1.066 1.00 0.00 N ATOM 495 CA ARG A 35 6.878 3.740 -2.503 1.00 0.00 C ATOM 496 C ARG A 35 6.155 2.514 -3.064 1.00 0.00 C ATOM 497 O ARG A 35 6.683 1.403 -3.017 1.00 0.00 O ATOM 498 CB ARG A 35 8.227 3.897 -3.207 1.00 0.00 C ATOM 499 CG ARG A 35 8.633 5.370 -3.294 1.00 0.00 C ATOM 500 CD ARG A 35 8.143 5.999 -4.599 1.00 0.00 C ATOM 501 NE ARG A 35 9.212 6.832 -5.192 1.00 0.00 N ATOM 502 CZ ARG A 35 9.537 8.058 -4.758 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.879 8.598 -3.724 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.521 8.741 -5.357 1.00 0.00 N ATOM 0 H ARG A 35 7.711 2.888 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 35 6.280 4.633 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.990 3.337 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.170 3.472 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.219 5.915 -2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.718 5.456 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.848 5.218 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.259 6.608 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 35 9.734 6.450 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.131 8.076 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.126 9.531 -3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.023 8.328 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.768 9.674 -5.027 1.00 0.00 H new ATOM 518 N ILE A 36 4.961 2.756 -3.583 1.00 0.00 N ATOM 519 CA ILE A 36 4.161 1.685 -4.153 1.00 0.00 C ATOM 520 C ILE A 36 3.936 1.960 -5.641 1.00 0.00 C ATOM 521 O ILE A 36 3.684 3.097 -6.035 1.00 0.00 O ATOM 522 CB ILE A 36 2.867 1.502 -3.358 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.164 1.130 -1.904 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.949 0.482 -4.034 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.896 1.198 -1.051 1.00 0.00 C ATOM 0 H ILE A 36 4.528 3.679 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 36 4.689 0.734 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 36 2.337 2.454 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.583 0.124 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.916 1.806 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.036 0.370 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.697 0.827 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.459 -0.479 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.135 0.929 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.494 2.211 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.155 0.503 -1.445 1.00 0.00 H new ATOM 537 N VAL A 37 4.036 0.897 -6.427 1.00 0.00 N ATOM 538 CA VAL A 37 3.846 1.010 -7.864 1.00 0.00 C ATOM 539 C VAL A 37 2.649 0.155 -8.284 1.00 0.00 C ATOM 540 O VAL A 37 2.654 -1.062 -8.102 1.00 0.00 O ATOM 541 CB VAL A 37 5.137 0.630 -8.593 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.874 0.388 -10.081 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.214 1.698 -8.393 1.00 0.00 C ATOM 0 H VAL A 37 4.246 -0.045 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 37 3.623 2.040 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 37 5.505 -0.301 -8.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.807 0.120 -10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.155 -0.423 -10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.472 1.295 -10.532 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.121 1.404 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.859 2.651 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.431 1.802 -7.330 1.00 0.00 H new ATOM 553 N GLY A 38 1.649 0.826 -8.837 1.00 0.00 N ATOM 554 CA GLY A 38 0.447 0.143 -9.285 1.00 0.00 C ATOM 555 C GLY A 38 0.607 -0.368 -10.717 1.00 0.00 C ATOM 556 O GLY A 38 1.723 -0.449 -11.230 1.00 0.00 O ATOM 0 H GLY A 38 1.647 1.835 -8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.230 -0.692 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.403 0.823 -9.231 1.00 0.00 H new ATOM 560 N GLY A 39 -0.523 -0.698 -11.324 1.00 0.00 N ATOM 561 CA GLY A 39 -0.522 -1.199 -12.687 1.00 0.00 C ATOM 562 C GLY A 39 0.662 -2.139 -12.925 1.00 0.00 C ATOM 563 O GLY A 39 1.410 -1.970 -13.887 1.00 0.00 O ATOM 0 H GLY A 39 -1.446 -0.628 -10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.455 -1.726 -12.885 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.474 -0.363 -13.385 1.00 0.00 H new ATOM 567 N LYS A 40 0.794 -3.110 -12.034 1.00 0.00 N ATOM 568 CA LYS A 40 1.874 -4.077 -12.134 1.00 0.00 C ATOM 569 C LYS A 40 1.287 -5.490 -12.158 1.00 0.00 C ATOM 570 O LYS A 40 0.472 -5.841 -11.307 1.00 0.00 O ATOM 571 CB LYS A 40 2.898 -3.854 -11.019 1.00 0.00 C ATOM 572 CG LYS A 40 4.327 -3.955 -11.558 1.00 0.00 C ATOM 573 CD LYS A 40 5.119 -5.031 -10.814 1.00 0.00 C ATOM 574 CE LYS A 40 6.611 -4.934 -11.135 1.00 0.00 C ATOM 575 NZ LYS A 40 7.414 -5.580 -10.072 1.00 0.00 N ATOM 0 H LYS A 40 0.171 -3.248 -11.239 1.00 0.00 H new ATOM 0 HA LYS A 40 2.420 -3.943 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.744 -2.873 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.750 -4.593 -10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.302 -4.188 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.828 -2.992 -11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.967 -4.922 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.747 -6.018 -11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.814 -5.412 -12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.901 -3.888 -11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.384 -5.733 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.436 -4.967 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.987 -6.495 -9.822 1.00 0.00 H new ATOM 589 N GLU A 41 1.725 -6.262 -13.141 1.00 0.00 N ATOM 590 CA GLU A 41 1.254 -7.628 -13.285 1.00 0.00 C ATOM 591 C GLU A 41 1.497 -8.414 -11.996 1.00 0.00 C ATOM 592 O GLU A 41 2.576 -8.338 -11.412 1.00 0.00 O ATOM 593 CB GLU A 41 1.922 -8.315 -14.479 1.00 0.00 C ATOM 594 CG GLU A 41 0.997 -9.367 -15.095 1.00 0.00 C ATOM 595 CD GLU A 41 1.384 -9.655 -16.547 1.00 0.00 C ATOM 596 OE1 GLU A 41 0.961 -8.863 -17.416 1.00 0.00 O ATOM 597 OE2 GLU A 41 2.095 -10.662 -16.755 1.00 0.00 O ATOM 0 H GLU A 41 2.401 -5.967 -13.846 1.00 0.00 H new ATOM 0 HA GLU A 41 0.181 -7.602 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.184 -7.571 -15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.852 -8.786 -14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.048 -10.287 -14.512 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.035 -9.019 -15.052 1.00 0.00 H new ATOM 604 N ILE A 42 0.474 -9.150 -11.587 1.00 0.00 N ATOM 605 CA ILE A 42 0.562 -9.948 -10.376 1.00 0.00 C ATOM 606 C ILE A 42 0.893 -11.395 -10.748 1.00 0.00 C ATOM 607 O ILE A 42 0.228 -11.990 -11.594 1.00 0.00 O ATOM 608 CB ILE A 42 -0.715 -9.803 -9.545 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.088 -8.330 -9.366 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.580 -10.528 -8.204 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.541 -8.185 -8.909 1.00 0.00 C ATOM 0 H ILE A 42 -0.421 -9.210 -12.073 1.00 0.00 H new ATOM 0 HA ILE A 42 1.371 -9.588 -9.740 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.533 -10.278 -10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.425 -7.869 -8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.944 -7.798 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.500 -10.410 -7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.396 -11.588 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.253 -10.103 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.781 -7.129 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.203 -8.625 -9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.676 -8.698 -7.957 1.00 0.00 H new ATOM 623 N PRO A 43 1.948 -11.933 -10.079 1.00 0.00 N ATOM 624 CA PRO A 43 2.376 -13.299 -10.330 1.00 0.00 C ATOM 625 C PRO A 43 1.415 -14.301 -9.689 1.00 0.00 C ATOM 626 O PRO A 43 1.114 -14.205 -8.499 1.00 0.00 O ATOM 627 CB PRO A 43 3.784 -13.380 -9.764 1.00 0.00 C ATOM 628 CG PRO A 43 3.918 -12.205 -8.808 1.00 0.00 C ATOM 629 CD PRO A 43 2.759 -11.257 -9.070 1.00 0.00 C ATOM 0 HA PRO A 43 2.372 -13.553 -11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.942 -14.325 -9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.528 -13.324 -10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.903 -12.550 -7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.870 -11.696 -8.960 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.186 -11.071 -8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.112 -10.290 -9.428 1.00 0.00 H new ATOM 637 N GLY A 44 0.958 -15.240 -10.504 1.00 0.00 N ATOM 638 CA GLY A 44 0.037 -16.259 -10.031 1.00 0.00 C ATOM 639 C GLY A 44 -1.342 -16.091 -10.672 1.00 0.00 C ATOM 640 O GLY A 44 -2.028 -17.075 -10.945 1.00 0.00 O ATOM 0 H GLY A 44 1.209 -15.317 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.432 -17.248 -10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.052 -16.199 -8.946 1.00 0.00 H new ATOM 644 N HIS A 45 -1.708 -14.837 -10.894 1.00 0.00 N ATOM 645 CA HIS A 45 -2.993 -14.527 -11.497 1.00 0.00 C ATOM 646 C HIS A 45 -2.883 -14.632 -13.020 1.00 0.00 C ATOM 647 O HIS A 45 -1.864 -14.261 -13.599 1.00 0.00 O ATOM 648 CB HIS A 45 -3.498 -13.161 -11.031 1.00 0.00 C ATOM 649 CG HIS A 45 -4.738 -13.224 -10.172 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.014 -13.293 -10.702 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.883 -13.229 -8.816 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.881 -13.336 -9.701 1.00 0.00 C ATOM 653 NE2 HIS A 45 -6.179 -13.295 -8.534 1.00 0.00 N ATOM 0 H HIS A 45 -1.136 -14.023 -10.667 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.737 -15.253 -11.170 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.706 -12.664 -10.471 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.705 -12.544 -11.905 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.081 -13.187 -8.094 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.955 -13.393 -9.794 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.583 -13.312 -7.597 1.00 0.00 H new ATOM 661 N SER A 46 -3.948 -15.138 -13.624 1.00 0.00 N ATOM 662 CA SER A 46 -3.984 -15.296 -15.068 1.00 0.00 C ATOM 663 C SER A 46 -3.363 -14.071 -15.744 1.00 0.00 C ATOM 664 O SER A 46 -2.659 -14.200 -16.744 1.00 0.00 O ATOM 665 CB SER A 46 -5.416 -15.506 -15.564 1.00 0.00 C ATOM 666 OG SER A 46 -5.560 -16.732 -16.276 1.00 0.00 O ATOM 0 H SER A 46 -4.792 -15.444 -13.140 1.00 0.00 H new ATOM 0 HA SER A 46 -3.404 -16.181 -15.329 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.099 -15.498 -14.714 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.701 -14.676 -16.210 1.00 0.00 H new ATOM 0 HG SER A 46 -6.488 -16.830 -16.574 1.00 0.00 H new ATOM 672 N GLY A 47 -3.646 -12.911 -15.170 1.00 0.00 N ATOM 673 CA GLY A 47 -3.124 -11.665 -15.704 1.00 0.00 C ATOM 674 C GLY A 47 -3.901 -10.465 -15.156 1.00 0.00 C ATOM 675 O GLY A 47 -4.778 -9.929 -15.831 1.00 0.00 O ATOM 0 H GLY A 47 -4.230 -12.808 -14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.069 -11.568 -15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.186 -11.677 -16.792 1.00 0.00 H new ATOM 679 N GLU A 48 -3.549 -10.080 -13.938 1.00 0.00 N ATOM 680 CA GLU A 48 -4.203 -8.955 -13.292 1.00 0.00 C ATOM 681 C GLU A 48 -3.159 -7.972 -12.755 1.00 0.00 C ATOM 682 O GLU A 48 -2.127 -8.384 -12.228 1.00 0.00 O ATOM 683 CB GLU A 48 -5.135 -9.428 -12.175 1.00 0.00 C ATOM 684 CG GLU A 48 -6.096 -8.316 -11.755 1.00 0.00 C ATOM 685 CD GLU A 48 -7.245 -8.174 -12.757 1.00 0.00 C ATOM 686 OE1 GLU A 48 -8.229 -8.929 -12.601 1.00 0.00 O ATOM 687 OE2 GLU A 48 -7.111 -7.316 -13.656 1.00 0.00 O ATOM 0 H GLU A 48 -2.820 -10.527 -13.382 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.813 -8.440 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.702 -10.295 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.545 -9.748 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.497 -8.532 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.555 -7.372 -11.681 1.00 0.00 H new ATOM 694 N ILE A 49 -3.465 -6.692 -12.908 1.00 0.00 N ATOM 695 CA ILE A 49 -2.567 -5.648 -12.444 1.00 0.00 C ATOM 696 C ILE A 49 -2.934 -5.264 -11.010 1.00 0.00 C ATOM 697 O ILE A 49 -4.096 -5.354 -10.617 1.00 0.00 O ATOM 698 CB ILE A 49 -2.572 -4.467 -13.417 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.002 -4.068 -13.787 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.724 -4.770 -14.653 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.046 -2.647 -14.354 1.00 0.00 C ATOM 0 H ILE A 49 -4.322 -6.354 -13.347 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.540 -6.011 -12.423 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.117 -3.612 -12.917 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.400 -4.769 -14.521 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.641 -4.132 -12.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.745 -3.914 -15.328 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.696 -4.967 -14.349 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.126 -5.645 -15.164 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.074 -2.389 -14.609 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.670 -1.946 -13.609 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.426 -2.593 -15.249 1.00 0.00 H new ATOM 713 N GLY A 50 -1.920 -4.846 -10.265 1.00 0.00 N ATOM 714 CA GLY A 50 -2.122 -4.450 -8.882 1.00 0.00 C ATOM 715 C GLY A 50 -1.065 -3.434 -8.444 1.00 0.00 C ATOM 716 O GLY A 50 -0.496 -2.727 -9.274 1.00 0.00 O ATOM 0 H GLY A 50 -0.957 -4.773 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.116 -4.019 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.077 -5.328 -8.238 1.00 0.00 H new ATOM 720 N ALA A 51 -0.833 -3.394 -7.139 1.00 0.00 N ATOM 721 CA ALA A 51 0.145 -2.477 -6.581 1.00 0.00 C ATOM 722 C ALA A 51 0.986 -3.211 -5.535 1.00 0.00 C ATOM 723 O ALA A 51 0.489 -4.100 -4.845 1.00 0.00 O ATOM 724 CB ALA A 51 -0.572 -1.256 -6.001 1.00 0.00 C ATOM 0 H ALA A 51 -1.306 -3.982 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 51 0.822 -2.119 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.162 -0.568 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.131 -0.754 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.258 -1.576 -5.217 1.00 0.00 H new ATOM 730 N TYR A 52 2.247 -2.811 -5.449 1.00 0.00 N ATOM 731 CA TYR A 52 3.162 -3.420 -4.499 1.00 0.00 C ATOM 732 C TYR A 52 4.178 -2.398 -3.985 1.00 0.00 C ATOM 733 O TYR A 52 4.363 -1.344 -4.588 1.00 0.00 O ATOM 734 CB TYR A 52 3.903 -4.516 -5.269 1.00 0.00 C ATOM 735 CG TYR A 52 4.943 -3.985 -6.259 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.547 -3.537 -7.502 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.278 -3.955 -5.906 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.526 -3.038 -8.432 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.256 -3.456 -6.838 1.00 0.00 C ATOM 740 CZ TYR A 52 6.832 -3.022 -8.055 1.00 0.00 C ATOM 741 OH TYR A 52 7.757 -2.551 -8.934 1.00 0.00 O ATOM 0 H TYR A 52 2.656 -2.073 -6.022 1.00 0.00 H new ATOM 0 HA TYR A 52 2.618 -3.809 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.398 -5.176 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.176 -5.121 -5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.503 -3.561 -7.777 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.588 -4.305 -4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.229 -2.684 -9.408 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.303 -3.427 -6.576 1.00 0.00 H new ATOM 0 HH TYR A 52 8.648 -2.599 -8.528 1.00 0.00 H new ATOM 751 N ILE A 53 4.809 -2.749 -2.873 1.00 0.00 N ATOM 752 CA ILE A 53 5.802 -1.875 -2.271 1.00 0.00 C ATOM 753 C ILE A 53 7.115 -1.989 -3.048 1.00 0.00 C ATOM 754 O ILE A 53 7.852 -2.961 -2.890 1.00 0.00 O ATOM 755 CB ILE A 53 5.943 -2.175 -0.777 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.586 -2.115 -0.074 1.00 0.00 C ATOM 757 CG2 ILE A 53 6.968 -1.244 -0.125 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.507 -3.142 1.057 1.00 0.00 C ATOM 0 H ILE A 53 4.652 -3.625 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 53 5.483 -0.835 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 53 6.317 -3.193 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.424 -1.114 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.790 -2.302 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.049 -1.478 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.939 -1.381 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.647 -0.209 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.532 -3.077 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.645 -4.143 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.288 -2.938 1.789 1.00 0.00 H new ATOM 770 N ALA A 54 7.369 -0.981 -3.869 1.00 0.00 N ATOM 771 CA ALA A 54 8.580 -0.957 -4.672 1.00 0.00 C ATOM 772 C ALA A 54 9.798 -0.916 -3.747 1.00 0.00 C ATOM 773 O ALA A 54 10.660 -1.791 -3.811 1.00 0.00 O ATOM 774 CB ALA A 54 8.535 0.237 -5.628 1.00 0.00 C ATOM 0 H ALA A 54 6.757 -0.175 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 54 8.656 -1.859 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.443 0.255 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.668 0.147 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.462 1.160 -5.054 1.00 0.00 H new ATOM 780 N LYS A 55 9.831 0.110 -2.909 1.00 0.00 N ATOM 781 CA LYS A 55 10.928 0.277 -1.972 1.00 0.00 C ATOM 782 C LYS A 55 10.466 1.143 -0.798 1.00 0.00 C ATOM 783 O LYS A 55 9.775 2.142 -0.994 1.00 0.00 O ATOM 784 CB LYS A 55 12.166 0.822 -2.688 1.00 0.00 C ATOM 785 CG LYS A 55 13.091 1.546 -1.708 1.00 0.00 C ATOM 786 CD LYS A 55 13.885 0.548 -0.864 1.00 0.00 C ATOM 787 CE LYS A 55 15.027 1.245 -0.120 1.00 0.00 C ATOM 788 NZ LYS A 55 16.250 1.267 -0.952 1.00 0.00 N ATOM 0 H LYS A 55 9.115 0.834 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 55 11.225 -0.687 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.705 0.003 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.861 1.507 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.778 2.189 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.502 2.192 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.222 0.064 -0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.289 -0.236 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.735 2.264 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.227 0.727 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.015 1.743 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.537 0.292 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.059 1.781 -1.836 1.00 0.00 H new ATOM 802 N ILE A 56 10.864 0.729 0.395 1.00 0.00 N ATOM 803 CA ILE A 56 10.499 1.454 1.599 1.00 0.00 C ATOM 804 C ILE A 56 11.593 2.472 1.929 1.00 0.00 C ATOM 805 O ILE A 56 12.775 2.130 1.955 1.00 0.00 O ATOM 806 CB ILE A 56 10.201 0.480 2.742 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.011 -0.418 2.400 1.00 0.00 C ATOM 808 CG2 ILE A 56 9.993 1.229 4.060 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.757 -1.441 3.510 1.00 0.00 C ATOM 0 H ILE A 56 11.436 -0.100 0.554 1.00 0.00 H new ATOM 0 HA ILE A 56 9.578 2.015 1.440 1.00 0.00 H new ATOM 0 HB ILE A 56 11.067 -0.169 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.120 0.193 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.200 -0.936 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.783 0.514 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.894 1.791 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.153 1.917 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.906 -2.066 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.641 -2.066 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.544 -0.920 4.443 1.00 0.00 H new ATOM 821 N LEU A 57 11.161 3.700 2.172 1.00 0.00 N ATOM 822 CA LEU A 57 12.089 4.769 2.499 1.00 0.00 C ATOM 823 C LEU A 57 12.928 4.358 3.710 1.00 0.00 C ATOM 824 O LEU A 57 12.465 3.601 4.562 1.00 0.00 O ATOM 825 CB LEU A 57 11.340 6.090 2.688 1.00 0.00 C ATOM 826 CG LEU A 57 10.912 6.809 1.407 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.988 7.795 0.947 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.548 5.805 0.311 1.00 0.00 C ATOM 0 H LEU A 57 10.180 3.979 2.149 1.00 0.00 H new ATOM 0 HA LEU A 57 12.782 4.938 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.450 5.897 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.973 6.764 3.265 1.00 0.00 H new ATOM 0 HG LEU A 57 10.015 7.389 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.659 8.293 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.157 8.539 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.916 7.257 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.247 6.342 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.413 5.180 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.724 5.177 0.651 1.00 0.00 H new ATOM 840 N PRO A 58 14.180 4.888 3.750 1.00 0.00 N ATOM 841 CA PRO A 58 15.087 4.585 4.842 1.00 0.00 C ATOM 842 C PRO A 58 14.689 5.341 6.111 1.00 0.00 C ATOM 843 O PRO A 58 14.478 6.552 6.077 1.00 0.00 O ATOM 844 CB PRO A 58 16.465 4.970 4.329 1.00 0.00 C ATOM 845 CG PRO A 58 16.225 5.902 3.153 1.00 0.00 C ATOM 846 CD PRO A 58 14.762 5.788 2.758 1.00 0.00 C ATOM 0 HA PRO A 58 15.063 3.534 5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.047 5.464 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.028 4.089 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.468 6.929 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.868 5.633 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.271 6.761 2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.654 5.389 1.749 1.00 0.00 H new ATOM 854 N GLY A 59 14.599 4.595 7.203 1.00 0.00 N ATOM 855 CA GLY A 59 14.230 5.180 8.481 1.00 0.00 C ATOM 856 C GLY A 59 12.789 5.693 8.454 1.00 0.00 C ATOM 857 O GLY A 59 12.496 6.759 8.992 1.00 0.00 O ATOM 0 H GLY A 59 14.775 3.591 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.340 4.437 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.907 6.000 8.719 1.00 0.00 H new ATOM 861 N GLY A 60 11.927 4.910 7.821 1.00 0.00 N ATOM 862 CA GLY A 60 10.524 5.272 7.716 1.00 0.00 C ATOM 863 C GLY A 60 9.670 4.437 8.673 1.00 0.00 C ATOM 864 O GLY A 60 10.167 3.503 9.300 1.00 0.00 O ATOM 0 H GLY A 60 12.174 4.026 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.400 6.331 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.182 5.122 6.692 1.00 0.00 H new ATOM 868 N SER A 61 8.400 4.806 8.755 1.00 0.00 N ATOM 869 CA SER A 61 7.472 4.103 9.625 1.00 0.00 C ATOM 870 C SER A 61 7.193 2.704 9.070 1.00 0.00 C ATOM 871 O SER A 61 7.019 1.754 9.832 1.00 0.00 O ATOM 872 CB SER A 61 6.165 4.882 9.780 1.00 0.00 C ATOM 873 OG SER A 61 6.139 5.646 10.982 1.00 0.00 O ATOM 0 H SER A 61 7.992 5.582 8.234 1.00 0.00 H new ATOM 0 HA SER A 61 7.929 4.012 10.611 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.035 5.546 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.326 4.187 9.774 1.00 0.00 H new ATOM 0 HG SER A 61 5.549 6.419 10.865 1.00 0.00 H new ATOM 879 N ALA A 62 7.158 2.622 7.748 1.00 0.00 N ATOM 880 CA ALA A 62 6.903 1.355 7.084 1.00 0.00 C ATOM 881 C ALA A 62 8.019 0.367 7.433 1.00 0.00 C ATOM 882 O ALA A 62 7.764 -0.821 7.621 1.00 0.00 O ATOM 883 CB ALA A 62 6.779 1.585 5.577 1.00 0.00 C ATOM 0 H ALA A 62 7.302 3.412 7.119 1.00 0.00 H new ATOM 0 HA ALA A 62 5.962 0.924 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.588 0.635 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.955 2.270 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.706 2.014 5.197 1.00 0.00 H new ATOM 889 N GLU A 63 9.232 0.896 7.507 1.00 0.00 N ATOM 890 CA GLU A 63 10.387 0.076 7.830 1.00 0.00 C ATOM 891 C GLU A 63 10.450 -0.183 9.336 1.00 0.00 C ATOM 892 O GLU A 63 10.933 -1.228 9.770 1.00 0.00 O ATOM 893 CB GLU A 63 11.679 0.728 7.332 1.00 0.00 C ATOM 894 CG GLU A 63 12.877 -0.199 7.544 1.00 0.00 C ATOM 895 CD GLU A 63 13.848 0.387 8.571 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.354 1.071 9.494 1.00 0.00 O ATOM 897 OE2 GLU A 63 15.063 0.138 8.410 1.00 0.00 O ATOM 0 H GLU A 63 9.440 1.882 7.349 1.00 0.00 H new ATOM 0 HA GLU A 63 10.282 -0.882 7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.584 0.969 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.844 1.667 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.530 -1.176 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.394 -0.354 6.597 1.00 0.00 H new ATOM 904 N GLN A 64 9.953 0.784 10.093 1.00 0.00 N ATOM 905 CA GLN A 64 9.946 0.673 11.541 1.00 0.00 C ATOM 906 C GLN A 64 9.057 -0.491 11.981 1.00 0.00 C ATOM 907 O GLN A 64 9.435 -1.272 12.852 1.00 0.00 O ATOM 908 CB GLN A 64 9.494 1.983 12.190 1.00 0.00 C ATOM 909 CG GLN A 64 10.682 2.920 12.419 1.00 0.00 C ATOM 910 CD GLN A 64 10.502 3.730 13.706 1.00 0.00 C ATOM 911 OE1 GLN A 64 10.493 3.200 14.805 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.359 5.036 13.507 1.00 0.00 N ATOM 0 H GLN A 64 9.552 1.649 9.730 1.00 0.00 H new ATOM 0 HA GLN A 64 10.964 0.473 11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.757 2.473 11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.004 1.772 13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.602 2.339 12.477 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.785 3.597 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.376 5.412 12.559 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.232 5.662 14.302 1.00 0.00 H new ATOM 921 N THR A 65 7.890 -0.571 11.357 1.00 0.00 N ATOM 922 CA THR A 65 6.943 -1.627 11.673 1.00 0.00 C ATOM 923 C THR A 65 7.677 -2.951 11.896 1.00 0.00 C ATOM 924 O THR A 65 7.292 -3.740 12.758 1.00 0.00 O ATOM 925 CB THR A 65 5.909 -1.687 10.547 1.00 0.00 C ATOM 926 OG1 THR A 65 6.674 -2.022 9.391 1.00 0.00 O ATOM 927 CG2 THR A 65 5.320 -0.313 10.219 1.00 0.00 C ATOM 0 H THR A 65 7.579 0.078 10.634 1.00 0.00 H new ATOM 0 HA THR A 65 6.417 -1.422 12.605 1.00 0.00 H new ATOM 0 HB THR A 65 5.106 -2.368 10.827 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.815 -1.219 8.848 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.592 -0.412 9.414 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.829 0.093 11.104 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.118 0.360 9.906 1.00 0.00 H new ATOM 935 N GLY A 66 8.720 -3.154 11.105 1.00 0.00 N ATOM 936 CA GLY A 66 9.510 -4.369 11.206 1.00 0.00 C ATOM 937 C GLY A 66 8.653 -5.605 10.929 1.00 0.00 C ATOM 938 O GLY A 66 8.964 -6.699 11.399 1.00 0.00 O ATOM 0 H GLY A 66 9.036 -2.497 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.337 -4.329 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.947 -4.441 12.202 1.00 0.00 H new ATOM 942 N LYS A 67 7.590 -5.391 10.168 1.00 0.00 N ATOM 943 CA LYS A 67 6.685 -6.474 9.822 1.00 0.00 C ATOM 944 C LYS A 67 6.534 -6.542 8.302 1.00 0.00 C ATOM 945 O LYS A 67 6.562 -7.625 7.719 1.00 0.00 O ATOM 946 CB LYS A 67 5.357 -6.321 10.567 1.00 0.00 C ATOM 947 CG LYS A 67 5.483 -6.792 12.016 1.00 0.00 C ATOM 948 CD LYS A 67 4.628 -8.036 12.266 1.00 0.00 C ATOM 949 CE LYS A 67 5.242 -8.914 13.358 1.00 0.00 C ATOM 950 NZ LYS A 67 5.811 -10.148 12.773 1.00 0.00 N ATOM 0 H LYS A 67 7.335 -4.483 9.781 1.00 0.00 H new ATOM 0 HA LYS A 67 7.096 -7.431 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.043 -5.278 10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.583 -6.897 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.527 -7.013 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.174 -5.993 12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.621 -7.737 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.535 -8.609 11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.021 -8.361 13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.482 -9.171 14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.223 -10.732 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.060 -10.683 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.551 -9.898 12.086 1.00 0.00 H new ATOM 964 N LEU A 68 6.376 -5.371 7.702 1.00 0.00 N ATOM 965 CA LEU A 68 6.219 -5.283 6.260 1.00 0.00 C ATOM 966 C LEU A 68 7.530 -5.692 5.584 1.00 0.00 C ATOM 967 O LEU A 68 8.574 -5.754 6.231 1.00 0.00 O ATOM 968 CB LEU A 68 5.728 -3.891 5.858 1.00 0.00 C ATOM 969 CG LEU A 68 6.712 -3.039 5.053 1.00 0.00 C ATOM 970 CD1 LEU A 68 8.110 -3.084 5.672 1.00 0.00 C ATOM 971 CD2 LEU A 68 6.723 -3.459 3.581 1.00 0.00 C ATOM 0 H LEU A 68 6.353 -4.475 8.189 1.00 0.00 H new ATOM 0 HA LEU A 68 5.452 -5.977 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.814 -4.004 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.462 -3.346 6.764 1.00 0.00 H new ATOM 0 HG LEU A 68 6.377 -2.002 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.790 -2.470 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.069 -2.701 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.469 -4.113 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.430 -2.838 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.021 -4.505 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.726 -3.334 3.159 1.00 0.00 H new ATOM 983 N MET A 69 7.432 -5.960 4.290 1.00 0.00 N ATOM 984 CA MET A 69 8.597 -6.361 3.519 1.00 0.00 C ATOM 985 C MET A 69 8.441 -5.970 2.048 1.00 0.00 C ATOM 986 O MET A 69 7.528 -6.440 1.370 1.00 0.00 O ATOM 987 CB MET A 69 8.785 -7.876 3.628 1.00 0.00 C ATOM 988 CG MET A 69 8.443 -8.370 5.036 1.00 0.00 C ATOM 989 SD MET A 69 8.666 -10.138 5.132 1.00 0.00 S ATOM 990 CE MET A 69 8.608 -10.363 6.901 1.00 0.00 C ATOM 0 H MET A 69 6.564 -5.907 3.756 1.00 0.00 H new ATOM 0 HA MET A 69 9.470 -5.848 3.921 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.150 -8.378 2.898 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.816 -8.137 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.079 -7.874 5.769 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.413 -8.111 5.281 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.732 -11.420 7.138 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.409 -9.790 7.367 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.647 -10.017 7.280 1.00 0.00 H new ATOM 1000 N GLU A 70 9.346 -5.114 1.597 1.00 0.00 N ATOM 1001 CA GLU A 70 9.321 -4.656 0.218 1.00 0.00 C ATOM 1002 C GLU A 70 8.989 -5.816 -0.721 1.00 0.00 C ATOM 1003 O GLU A 70 9.313 -6.967 -0.432 1.00 0.00 O ATOM 1004 CB GLU A 70 10.651 -4.002 -0.166 1.00 0.00 C ATOM 1005 CG GLU A 70 11.065 -2.954 0.867 1.00 0.00 C ATOM 1006 CD GLU A 70 12.256 -3.440 1.695 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.159 -4.053 1.086 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.237 -3.188 2.920 1.00 0.00 O ATOM 0 H GLU A 70 10.101 -4.725 2.162 1.00 0.00 H new ATOM 0 HA GLU A 70 8.541 -3.901 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.426 -4.765 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.561 -3.535 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.324 -2.023 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.224 -2.736 1.526 1.00 0.00 H new ATOM 1015 N GLY A 71 8.344 -5.473 -1.827 1.00 0.00 N ATOM 1016 CA GLY A 71 7.963 -6.472 -2.811 1.00 0.00 C ATOM 1017 C GLY A 71 6.699 -7.216 -2.377 1.00 0.00 C ATOM 1018 O GLY A 71 6.345 -8.239 -2.960 1.00 0.00 O ATOM 0 H GLY A 71 8.076 -4.518 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.794 -5.992 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.778 -7.182 -2.948 1.00 0.00 H new ATOM 1022 N MET A 72 6.054 -6.673 -1.355 1.00 0.00 N ATOM 1023 CA MET A 72 4.837 -7.273 -0.834 1.00 0.00 C ATOM 1024 C MET A 72 3.601 -6.688 -1.519 1.00 0.00 C ATOM 1025 O MET A 72 3.238 -5.537 -1.278 1.00 0.00 O ATOM 1026 CB MET A 72 4.750 -7.026 0.673 1.00 0.00 C ATOM 1027 CG MET A 72 5.246 -8.243 1.458 1.00 0.00 C ATOM 1028 SD MET A 72 3.925 -8.899 2.465 1.00 0.00 S ATOM 1029 CE MET A 72 4.589 -8.580 4.091 1.00 0.00 C ATOM 0 H MET A 72 6.351 -5.824 -0.874 1.00 0.00 H new ATOM 0 HA MET A 72 4.868 -8.344 -1.034 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.345 -6.152 0.937 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.719 -6.806 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.605 -9.009 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.089 -7.961 2.088 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.849 -8.848 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.490 -9.175 4.239 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.833 -7.522 4.183 1.00 0.00 H new ATOM 1039 N GLN A 73 2.987 -7.507 -2.362 1.00 0.00 N ATOM 1040 CA GLN A 73 1.799 -7.084 -3.084 1.00 0.00 C ATOM 1041 C GLN A 73 0.778 -6.480 -2.118 1.00 0.00 C ATOM 1042 O GLN A 73 0.336 -7.143 -1.182 1.00 0.00 O ATOM 1043 CB GLN A 73 1.191 -8.249 -3.867 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.213 -7.900 -4.367 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.843 -9.084 -5.104 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.251 -10.141 -5.254 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.074 -8.850 -5.551 1.00 0.00 N ATOM 0 H GLN A 73 3.290 -8.460 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 73 2.087 -6.317 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.831 -8.496 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.145 -9.134 -3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.843 -7.615 -3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.162 -7.038 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.511 -7.942 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.581 -9.578 -6.054 1.00 0.00 H new ATOM 1056 N VAL A 74 0.433 -5.228 -2.380 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.529 -4.526 -1.545 1.00 0.00 C ATOM 1058 C VAL A 74 -1.945 -4.853 -2.023 1.00 0.00 C ATOM 1059 O VAL A 74 -2.359 -4.413 -3.094 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.228 -3.026 -1.548 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.278 -2.255 -0.746 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.180 -2.749 -1.017 1.00 0.00 C ATOM 0 H VAL A 74 0.802 -4.681 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.450 -4.857 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.272 -2.677 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.041 -1.191 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.262 -2.415 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.280 -2.609 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.369 -1.676 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.263 -3.120 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.912 -3.254 -1.647 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.649 -5.620 -1.205 1.00 0.00 N ATOM 1073 CA LEU A 75 -4.011 -6.010 -1.530 1.00 0.00 C ATOM 1074 C LEU A 75 -4.927 -4.790 -1.415 1.00 0.00 C ATOM 1075 O LEU A 75 -5.623 -4.440 -2.368 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.450 -7.192 -0.663 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.509 -8.398 -0.645 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.473 -9.044 0.741 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.882 -9.402 -1.737 1.00 0.00 C ATOM 0 H LEU A 75 -2.302 -5.983 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.072 -6.359 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.575 -6.839 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.429 -7.525 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.500 -8.047 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.797 -9.899 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.122 -8.316 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.474 -9.378 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.197 -10.249 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.901 -9.753 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.814 -8.921 -2.713 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.898 -4.176 -0.243 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.717 -3.002 0.008 1.00 0.00 C ATOM 1093 C GLU A 76 -4.910 -1.941 0.758 1.00 0.00 C ATOM 1094 O GLU A 76 -3.847 -2.235 1.303 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.985 -3.372 0.780 1.00 0.00 C ATOM 1096 CG GLU A 76 -8.015 -4.028 -0.143 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.707 -5.202 0.556 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.976 -6.002 1.178 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.951 -5.272 0.450 1.00 0.00 O ATOM 0 H GLU A 76 -4.320 -4.469 0.545 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.023 -2.586 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.734 -4.053 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.414 -2.478 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.759 -3.291 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.524 -4.378 -1.051 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.444 -0.728 0.761 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.787 0.378 1.436 1.00 0.00 C ATOM 1108 C TRP A 77 -5.870 1.286 2.022 1.00 0.00 C ATOM 1109 O TRP A 77 -6.573 1.975 1.285 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.839 1.114 0.487 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.434 2.508 0.969 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -4.118 3.654 0.848 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -2.214 2.858 1.657 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -3.432 4.713 1.407 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -2.238 4.215 1.914 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -1.128 2.057 2.049 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -1.202 4.887 2.574 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 -0.101 2.744 2.707 1.00 0.00 C ATOM 1119 CH2 TRP A 77 -0.110 4.109 2.973 1.00 0.00 C ATOM 0 H TRP A 77 -6.325 -0.487 0.306 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.160 0.015 2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.940 0.513 0.350 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.315 1.203 -0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.084 3.738 0.373 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.744 5.683 1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.089 0.995 1.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -1.244 5.949 2.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.758 2.175 3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.723 4.567 3.486 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.970 1.258 3.343 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.956 2.069 4.036 1.00 0.00 C ATOM 1132 C ASN A 78 -8.355 1.707 3.532 1.00 0.00 C ATOM 1133 O ASN A 78 -9.237 2.562 3.470 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.728 3.559 3.770 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.349 4.000 4.265 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -4.368 3.281 4.170 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.330 5.218 4.799 1.00 0.00 N ATOM 0 H ASN A 78 -5.384 0.686 3.952 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.862 1.874 5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.816 3.759 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.501 4.143 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.457 5.603 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.188 5.767 4.847 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.513 0.438 3.185 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.789 -0.047 2.688 1.00 0.00 C ATOM 1146 C GLY A 79 -9.795 -0.109 1.160 1.00 0.00 C ATOM 1147 O GLY A 79 -10.052 -1.162 0.577 1.00 0.00 O ATOM 0 H GLY A 79 -7.779 -0.268 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.989 -1.038 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.590 0.608 3.032 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.508 1.034 0.552 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.477 1.123 -0.898 1.00 0.00 C ATOM 1153 C ILE A 80 -8.469 0.110 -1.446 1.00 0.00 C ATOM 1154 O ILE A 80 -7.300 0.125 -1.065 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.205 2.562 -1.341 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.249 3.520 -0.762 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.120 2.660 -2.866 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.760 4.137 0.549 1.00 0.00 C ATOM 0 H ILE A 80 -9.295 1.905 1.038 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.450 0.864 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.235 2.864 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.462 4.310 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.183 2.985 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.926 3.693 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.311 2.025 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.062 2.332 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.521 4.813 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.571 3.346 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.839 4.692 0.369 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.971 -0.768 -2.355 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.127 -1.785 -2.958 1.00 0.00 C ATOM 1172 C PRO A 81 -7.199 -1.174 -4.010 1.00 0.00 C ATOM 1173 O PRO A 81 -7.548 -0.184 -4.651 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.094 -2.804 -3.539 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.434 -2.093 -3.649 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.351 -0.815 -2.830 1.00 0.00 C ATOM 0 HA PRO A 81 -7.457 -2.256 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.755 -3.152 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.169 -3.681 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.661 -1.865 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.237 -2.732 -3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.592 0.059 -3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.056 -0.831 -1.999 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.035 -1.790 -4.155 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.054 -1.320 -5.118 1.00 0.00 C ATOM 1186 C LEU A 82 -4.917 -2.347 -6.243 1.00 0.00 C ATOM 1187 O LEU A 82 -3.842 -2.503 -6.819 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.733 -0.993 -4.419 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.794 0.091 -3.341 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.390 0.478 -2.871 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.590 1.304 -3.828 1.00 0.00 C ATOM 0 H LEU A 82 -5.749 -2.611 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.385 -0.388 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.349 -1.907 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.011 -0.685 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.321 -0.315 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.463 1.250 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.891 -0.398 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.815 0.858 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.618 2.060 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.113 1.720 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.607 0.997 -4.073 1.00 0.00 H new ATOM 1203 N THR A 83 -6.022 -3.021 -6.523 1.00 0.00 N ATOM 1204 CA THR A 83 -6.039 -4.029 -7.570 1.00 0.00 C ATOM 1205 C THR A 83 -6.877 -3.551 -8.757 1.00 0.00 C ATOM 1206 O THR A 83 -7.928 -2.939 -8.574 1.00 0.00 O ATOM 1207 CB THR A 83 -6.544 -5.338 -6.958 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.577 -5.650 -5.960 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.464 -6.511 -7.936 1.00 0.00 C ATOM 0 H THR A 83 -6.912 -2.889 -6.043 1.00 0.00 H new ATOM 0 HA THR A 83 -5.039 -4.203 -7.967 1.00 0.00 H new ATOM 0 HB THR A 83 -7.575 -5.211 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.828 -6.484 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.834 -7.415 -7.452 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.072 -6.295 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.428 -6.661 -8.240 1.00 0.00 H new ATOM 1217 N SER A 84 -6.380 -3.849 -9.949 1.00 0.00 N ATOM 1218 CA SER A 84 -7.070 -3.457 -11.166 1.00 0.00 C ATOM 1219 C SER A 84 -7.013 -1.937 -11.334 1.00 0.00 C ATOM 1220 O SER A 84 -7.925 -1.337 -11.900 1.00 0.00 O ATOM 1221 CB SER A 84 -8.523 -3.936 -11.155 1.00 0.00 C ATOM 1222 OG SER A 84 -9.407 -2.947 -10.635 1.00 0.00 O ATOM 0 H SER A 84 -5.508 -4.357 -10.098 1.00 0.00 H new ATOM 0 HA SER A 84 -6.567 -3.928 -12.010 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.827 -4.196 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.601 -4.843 -10.556 1.00 0.00 H new ATOM 0 HG SER A 84 -9.259 -2.851 -9.671 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.932 -1.358 -10.832 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.744 0.080 -10.918 1.00 0.00 C ATOM 1230 C LYS A 85 -4.425 0.375 -11.635 1.00 0.00 C ATOM 1231 O LYS A 85 -3.740 -0.542 -12.084 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.847 0.718 -9.532 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.096 0.230 -8.794 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.218 1.267 -8.870 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.000 1.325 -7.556 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.368 0.794 -7.743 1.00 0.00 N ATOM 0 H LYS A 85 -5.177 -1.859 -10.364 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.538 0.533 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.958 0.476 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.878 1.803 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.435 -0.710 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.851 0.029 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.797 2.248 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.893 1.018 -9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.481 0.747 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.049 2.354 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.885 0.841 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.866 1.362 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.316 -0.195 -8.061 1.00 0.00 H new ATOM 1250 N THR A 86 -4.109 1.659 -11.720 1.00 0.00 N ATOM 1251 CA THR A 86 -2.885 2.087 -12.374 1.00 0.00 C ATOM 1252 C THR A 86 -2.014 2.888 -11.405 1.00 0.00 C ATOM 1253 O THR A 86 -2.517 3.449 -10.432 1.00 0.00 O ATOM 1254 CB THR A 86 -3.268 2.867 -13.633 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.044 3.958 -13.143 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.239 2.093 -14.528 1.00 0.00 C ATOM 0 H THR A 86 -4.680 2.417 -11.346 1.00 0.00 H new ATOM 0 HA THR A 86 -2.279 1.232 -12.676 1.00 0.00 H new ATOM 0 HB THR A 86 -2.368 3.110 -14.197 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.989 3.808 -13.353 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.479 2.691 -15.407 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.778 1.156 -14.841 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.153 1.880 -13.974 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.723 2.917 -11.703 1.00 0.00 N ATOM 1265 CA TYR A 87 0.222 3.641 -10.871 1.00 0.00 C ATOM 1266 C TYR A 87 -0.391 4.943 -10.350 1.00 0.00 C ATOM 1267 O TYR A 87 -0.533 5.126 -9.141 1.00 0.00 O ATOM 1268 CB TYR A 87 1.410 3.976 -11.774 1.00 0.00 C ATOM 1269 CG TYR A 87 2.596 4.600 -11.037 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.502 5.884 -10.540 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.760 3.878 -10.869 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.618 6.472 -9.846 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.877 4.466 -10.174 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.751 5.734 -9.697 1.00 0.00 C ATOM 1275 OH TYR A 87 5.806 6.288 -9.042 1.00 0.00 O ATOM 0 H TYR A 87 -0.309 2.450 -12.510 1.00 0.00 H new ATOM 0 HA TYR A 87 0.510 3.041 -10.007 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.743 3.065 -12.271 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.078 4.662 -12.554 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.591 6.448 -10.672 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.834 2.873 -11.258 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.557 7.476 -9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.794 3.912 -10.035 1.00 0.00 H new ATOM 0 HH TYR A 87 6.545 5.646 -9.010 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.738 5.812 -11.287 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.332 7.091 -10.937 1.00 0.00 C ATOM 1287 C GLU A 88 -2.487 6.889 -9.955 1.00 0.00 C ATOM 1288 O GLU A 88 -2.387 7.261 -8.787 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.799 7.839 -12.188 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.712 8.784 -12.700 1.00 0.00 C ATOM 1291 CD GLU A 88 -0.865 9.035 -14.202 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.981 9.435 -14.599 1.00 0.00 O ATOM 1293 OE2 GLU A 88 0.137 8.821 -14.918 1.00 0.00 O ATOM 0 H GLU A 88 -0.619 5.656 -12.288 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.571 7.702 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.060 7.123 -12.968 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.702 8.406 -11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.766 9.731 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.270 8.358 -12.497 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.560 6.299 -10.465 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.733 6.043 -9.648 1.00 0.00 C ATOM 1302 C GLU A 89 -4.316 5.607 -8.242 1.00 0.00 C ATOM 1303 O GLU A 89 -4.593 6.300 -7.265 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.638 4.996 -10.300 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.162 5.491 -11.651 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.111 4.468 -12.277 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -6.591 3.493 -12.862 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.337 4.685 -12.158 1.00 0.00 O ATOM 0 H GLU A 89 -3.640 5.991 -11.434 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.303 6.968 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.085 4.067 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.476 4.773 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.681 6.441 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.325 5.676 -12.324 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.655 4.460 -8.184 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.197 3.923 -6.915 1.00 0.00 C ATOM 1317 C VAL A 90 -2.521 5.034 -6.110 1.00 0.00 C ATOM 1318 O VAL A 90 -2.937 5.338 -4.993 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.284 2.719 -7.155 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.787 2.134 -5.831 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.992 1.651 -7.993 1.00 0.00 C ATOM 0 H VAL A 90 -3.426 3.888 -8.997 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.041 3.562 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.416 3.065 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.140 1.280 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.227 2.893 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.639 1.812 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.321 0.806 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.886 1.312 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.274 2.073 -8.958 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.489 5.611 -6.709 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.751 6.682 -6.062 1.00 0.00 C ATOM 1333 C GLN A 91 -1.715 7.648 -5.371 1.00 0.00 C ATOM 1334 O GLN A 91 -1.451 8.106 -4.260 1.00 0.00 O ATOM 1335 CB GLN A 91 0.138 7.419 -7.065 1.00 0.00 C ATOM 1336 CG GLN A 91 1.524 7.689 -6.475 1.00 0.00 C ATOM 1337 CD GLN A 91 2.382 8.508 -7.442 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.965 8.866 -8.531 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.600 8.783 -6.983 1.00 0.00 N ATOM 0 H GLN A 91 -1.147 5.357 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.101 6.243 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.235 6.826 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.331 8.362 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.423 8.224 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.020 6.744 -6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.884 8.452 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.249 9.325 -7.553 1.00 0.00 H new ATOM 1348 N SER A 92 -2.814 7.930 -6.056 1.00 0.00 N ATOM 1349 CA SER A 92 -3.818 8.834 -5.522 1.00 0.00 C ATOM 1350 C SER A 92 -4.460 8.224 -4.274 1.00 0.00 C ATOM 1351 O SER A 92 -4.699 8.922 -3.291 1.00 0.00 O ATOM 1352 CB SER A 92 -4.889 9.148 -6.569 1.00 0.00 C ATOM 1353 OG SER A 92 -5.291 10.514 -6.526 1.00 0.00 O ATOM 0 H SER A 92 -3.031 7.548 -6.977 1.00 0.00 H new ATOM 0 HA SER A 92 -3.327 9.769 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.505 8.914 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.756 8.509 -6.404 1.00 0.00 H new ATOM 0 HG SER A 92 -5.974 10.676 -7.210 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.720 6.927 -4.355 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.330 6.215 -3.245 1.00 0.00 C ATOM 1361 C ILE A 93 -4.385 6.250 -2.042 1.00 0.00 C ATOM 1362 O ILE A 93 -4.832 6.341 -0.900 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.732 4.802 -3.670 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.959 4.832 -4.583 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.944 3.902 -2.452 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.158 3.484 -5.280 1.00 0.00 C ATOM 0 H ILE A 93 -4.519 6.351 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.254 6.706 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.913 4.373 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.846 5.077 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.842 5.618 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.229 2.903 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.020 3.844 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.735 4.316 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.037 3.533 -5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.280 3.253 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.299 2.705 -4.531 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.096 6.176 -2.341 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.084 6.199 -1.298 1.00 0.00 C ATOM 1380 C ILE A 94 -1.823 7.646 -0.878 1.00 0.00 C ATOM 1381 O ILE A 94 -2.013 8.002 0.285 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.828 5.455 -1.755 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.144 4.500 -2.907 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.159 4.736 -0.582 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.155 3.333 -2.941 1.00 0.00 C ATOM 0 H ILE A 94 -2.729 6.100 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.437 5.669 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.115 6.189 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.159 4.118 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.106 5.041 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.731 4.215 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.124 5.465 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.855 4.015 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.403 2.670 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.856 3.717 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.213 2.780 -2.004 1.00 0.00 H new ATOM 1397 N SER A 95 -1.392 8.441 -1.845 1.00 0.00 N ATOM 1398 CA SER A 95 -1.104 9.842 -1.589 1.00 0.00 C ATOM 1399 C SER A 95 -2.155 10.429 -0.645 1.00 0.00 C ATOM 1400 O SER A 95 -3.285 9.948 -0.592 1.00 0.00 O ATOM 1401 CB SER A 95 -1.056 10.642 -2.893 1.00 0.00 C ATOM 1402 OG SER A 95 -0.338 11.863 -2.744 1.00 0.00 O ATOM 0 H SER A 95 -1.235 8.142 -2.808 1.00 0.00 H new ATOM 0 HA SER A 95 -0.124 9.908 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.588 10.039 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.072 10.857 -3.224 1.00 0.00 H new ATOM 0 HG SER A 95 -0.329 12.343 -3.598 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.744 11.461 0.077 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.636 12.119 1.018 1.00 0.00 C ATOM 1410 C GLN A 96 -2.770 11.287 2.294 1.00 0.00 C ATOM 1411 O GLN A 96 -2.036 10.319 2.488 1.00 0.00 O ATOM 1412 CB GLN A 96 -4.005 12.378 0.385 1.00 0.00 C ATOM 1413 CG GLN A 96 -4.393 13.852 0.500 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.513 14.204 -0.481 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.538 13.762 -1.618 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -6.435 15.022 0.019 1.00 0.00 N ATOM 0 H GLN A 96 -0.806 11.858 0.030 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.206 13.085 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.985 12.084 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.758 11.761 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.716 14.068 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.522 14.477 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.354 15.355 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.223 15.316 -0.558 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.712 11.694 3.132 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.952 10.997 4.385 1.00 0.00 C ATOM 1427 C GLN A 97 -2.807 11.261 5.365 1.00 0.00 C ATOM 1428 O GLN A 97 -2.089 10.339 5.749 1.00 0.00 O ATOM 1429 CB GLN A 97 -4.139 9.497 4.150 1.00 0.00 C ATOM 1430 CG GLN A 97 -5.087 9.239 2.978 1.00 0.00 C ATOM 1431 CD GLN A 97 -6.543 9.460 3.392 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -7.209 10.381 2.948 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -7.000 8.567 4.265 1.00 0.00 N ATOM 0 H GLN A 97 -4.318 12.498 2.968 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.874 11.380 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.173 9.034 3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.535 9.031 5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.836 9.902 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.958 8.218 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.390 7.820 4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.961 8.629 4.602 1.00 0.00 H new ATOM 1442 N SER A 98 -2.675 12.524 5.743 1.00 0.00 N ATOM 1443 CA SER A 98 -1.630 12.920 6.673 1.00 0.00 C ATOM 1444 C SER A 98 -2.069 12.631 8.109 1.00 0.00 C ATOM 1445 O SER A 98 -2.407 13.548 8.855 1.00 0.00 O ATOM 1446 CB SER A 98 -1.283 14.401 6.512 1.00 0.00 C ATOM 1447 OG SER A 98 -2.401 15.244 6.781 1.00 0.00 O ATOM 0 H SER A 98 -3.273 13.286 5.423 1.00 0.00 H new ATOM 0 HA SER A 98 -0.736 12.338 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.465 14.657 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.928 14.582 5.497 1.00 0.00 H new ATOM 0 HG SER A 98 -2.819 14.973 7.625 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.050 11.351 8.453 1.00 0.00 N ATOM 1454 CA GLY A 99 -2.443 10.930 9.787 1.00 0.00 C ATOM 1455 C GLY A 99 -2.418 9.404 9.908 1.00 0.00 C ATOM 1456 O GLY A 99 -3.314 8.811 10.506 1.00 0.00 O ATOM 0 H GLY A 99 -1.769 10.593 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.770 11.368 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.444 11.300 10.009 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.381 8.814 9.333 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.228 7.368 9.370 1.00 0.00 C ATOM 1462 C GLU A 100 -1.927 6.731 8.169 1.00 0.00 C ATOM 1463 O GLU A 100 -2.679 7.395 7.458 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.761 6.794 10.684 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.175 6.238 10.506 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.138 4.759 10.119 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.301 4.040 10.707 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -3.947 4.380 9.245 1.00 0.00 O ATOM 0 H GLU A 100 -0.639 9.309 8.839 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.165 7.132 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.097 6.004 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.765 7.571 11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.737 6.361 11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.699 6.806 9.737 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.654 5.448 7.979 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.248 4.712 6.875 1.00 0.00 C ATOM 1477 C ALA A 101 -2.161 3.211 7.163 1.00 0.00 C ATOM 1478 O ALA A 101 -1.368 2.781 7.999 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.547 5.096 5.570 1.00 0.00 C ATOM 0 H ALA A 101 -1.030 4.900 8.571 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.302 4.967 6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.992 4.544 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.662 6.166 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.487 4.852 5.641 1.00 0.00 H new ATOM 1485 N GLU A 102 -2.987 2.456 6.455 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.015 1.014 6.623 1.00 0.00 C ATOM 1487 C GLU A 102 -2.716 0.317 5.294 1.00 0.00 C ATOM 1488 O GLU A 102 -3.190 0.749 4.244 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.358 0.554 7.194 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.160 -0.256 8.478 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.354 -1.177 8.734 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.491 -0.662 8.680 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -5.102 -2.378 8.978 1.00 0.00 O ATOM 0 H GLU A 102 -3.643 2.817 5.762 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.240 0.737 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.986 1.421 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.883 -0.051 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.249 -0.849 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.030 0.421 9.323 1.00 0.00 H new ATOM 1500 N ILE A 103 -1.933 -0.747 5.383 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.566 -1.507 4.200 1.00 0.00 C ATOM 1502 C ILE A 103 -1.863 -2.989 4.439 1.00 0.00 C ATOM 1503 O ILE A 103 -1.480 -3.545 5.466 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.113 -1.227 3.813 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.196 -1.765 2.414 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.851 -1.777 4.865 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.365 -1.008 1.780 1.00 0.00 C ATOM 0 H ILE A 103 -1.542 -1.101 6.256 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.166 -1.194 3.345 1.00 0.00 H new ATOM 0 HB ILE A 103 0.029 -0.147 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.435 -2.827 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.687 -1.673 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.877 -1.564 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.649 -1.305 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.715 -2.855 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.563 -1.411 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.113 0.049 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.253 -1.123 2.402 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.545 -3.585 3.471 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.899 -4.992 3.563 1.00 0.00 C ATOM 1521 C CYS A 104 -2.146 -5.749 2.467 1.00 0.00 C ATOM 1522 O CYS A 104 -2.516 -5.683 1.296 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.411 -5.202 3.466 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.269 -4.145 4.689 1.00 0.00 S ATOM 0 H CYS A 104 -2.861 -3.120 2.620 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.606 -5.381 4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.756 -4.962 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.653 -6.250 3.645 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.553 -4.329 4.597 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.103 -6.450 2.886 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.295 -7.218 1.954 1.00 0.00 C ATOM 1532 C VAL A 105 -0.546 -8.711 2.179 1.00 0.00 C ATOM 1533 O VAL A 105 -1.330 -9.088 3.049 1.00 0.00 O ATOM 1534 CB VAL A 105 1.178 -6.832 2.097 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.414 -5.392 1.636 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.662 -7.033 3.535 1.00 0.00 C ATOM 0 H VAL A 105 -0.799 -6.502 3.858 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.578 -6.991 0.926 1.00 0.00 H new ATOM 0 HB VAL A 105 1.760 -7.491 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.469 -5.142 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.127 -5.293 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.814 -4.713 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.712 -6.751 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.072 -6.411 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.547 -8.080 3.814 1.00 0.00 H new ATOM 1546 N ARG A 106 0.135 -9.520 1.381 1.00 0.00 N ATOM 1547 CA ARG A 106 -0.005 -10.963 1.483 1.00 0.00 C ATOM 1548 C ARG A 106 1.347 -11.606 1.798 1.00 0.00 C ATOM 1549 O ARG A 106 2.236 -11.641 0.947 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.553 -11.556 0.183 1.00 0.00 C ATOM 1551 CG ARG A 106 -1.074 -12.977 0.405 1.00 0.00 C ATOM 1552 CD ARG A 106 -1.538 -13.603 -0.911 1.00 0.00 C ATOM 1553 NE ARG A 106 -2.964 -13.285 -1.147 1.00 0.00 N ATOM 1554 CZ ARG A 106 -3.632 -13.612 -2.263 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -3.007 -14.268 -3.250 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -4.924 -13.281 -2.392 1.00 0.00 N ATOM 0 H ARG A 106 0.785 -9.204 0.661 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.708 -11.172 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.357 -10.926 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.230 -11.566 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.289 -13.591 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.901 -12.958 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.932 -13.228 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.398 -14.684 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.470 -12.786 -0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.023 -14.519 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.515 -14.517 -4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.400 -12.780 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.432 -13.530 -3.241 1.00 0.00 H new ATOM 1570 N LEU A 107 1.461 -12.099 3.022 1.00 0.00 N ATOM 1571 CA LEU A 107 2.690 -12.739 3.461 1.00 0.00 C ATOM 1572 C LEU A 107 3.147 -13.738 2.396 1.00 0.00 C ATOM 1573 O LEU A 107 4.237 -13.605 1.842 1.00 0.00 O ATOM 1574 CB LEU A 107 2.506 -13.358 4.847 1.00 0.00 C ATOM 1575 CG LEU A 107 1.582 -12.601 5.803 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.734 -13.116 7.235 1.00 0.00 C ATOM 1577 CD2 LEU A 107 1.814 -11.092 5.709 1.00 0.00 C ATOM 0 H LEU A 107 0.722 -12.068 3.724 1.00 0.00 H new ATOM 0 HA LEU A 107 3.486 -12.002 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.118 -14.369 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.486 -13.448 5.316 1.00 0.00 H new ATOM 0 HG LEU A 107 0.551 -12.788 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.066 -12.561 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.480 -14.175 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.764 -12.979 7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.145 -10.577 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.848 -10.866 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.615 -10.756 4.691 1.00 0.00 H new ATOM 1589 N ASP A 108 2.290 -14.716 2.142 1.00 0.00 N ATOM 1590 CA ASP A 108 2.592 -15.738 1.153 1.00 0.00 C ATOM 1591 C ASP A 108 3.259 -15.086 -0.060 1.00 0.00 C ATOM 1592 O ASP A 108 4.481 -15.122 -0.194 1.00 0.00 O ATOM 1593 CB ASP A 108 1.317 -16.435 0.674 1.00 0.00 C ATOM 1594 CG ASP A 108 1.106 -17.847 1.224 1.00 0.00 C ATOM 1595 OD1 ASP A 108 1.876 -18.222 2.134 1.00 0.00 O ATOM 1596 OD2 ASP A 108 0.181 -18.519 0.721 1.00 0.00 O ATOM 0 H ASP A 108 1.387 -14.823 2.604 1.00 0.00 H new ATOM 0 HA ASP A 108 3.251 -16.472 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.460 -15.822 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.335 -16.484 -0.415 1.00 0.00 H new ATOM 1601 N LEU A 109 2.427 -14.506 -0.912 1.00 0.00 N ATOM 1602 CA LEU A 109 2.922 -13.849 -2.110 1.00 0.00 C ATOM 1603 C LEU A 109 3.919 -12.759 -1.713 1.00 0.00 C ATOM 1604 O LEU A 109 4.082 -12.462 -0.530 1.00 0.00 O ATOM 1605 CB LEU A 109 1.756 -13.335 -2.959 1.00 0.00 C ATOM 1606 CG LEU A 109 1.807 -13.683 -4.447 1.00 0.00 C ATOM 1607 CD1 LEU A 109 0.789 -14.772 -4.791 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.622 -12.432 -5.310 1.00 0.00 C ATOM 0 H LEU A 109 1.414 -14.477 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 109 3.458 -14.559 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.829 -13.731 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.711 -12.250 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 109 2.796 -14.085 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.846 -15.000 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.009 -15.671 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.214 -14.422 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.662 -12.708 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.656 -11.978 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.416 -11.718 -5.091 1.00 0.00 H new ATOM 1620 N ASN A 110 4.563 -12.194 -2.724 1.00 0.00 N ATOM 1621 CA ASN A 110 5.541 -11.144 -2.494 1.00 0.00 C ATOM 1622 C ASN A 110 6.108 -10.679 -3.837 1.00 0.00 C ATOM 1623 O ASN A 110 7.302 -10.404 -3.949 1.00 0.00 O ATOM 1624 CB ASN A 110 6.704 -11.651 -1.640 1.00 0.00 C ATOM 1625 CG ASN A 110 7.019 -13.115 -1.956 1.00 0.00 C ATOM 1626 OD1 ASN A 110 6.563 -13.677 -2.939 1.00 0.00 O ATOM 1627 ND2 ASN A 110 7.821 -13.699 -1.070 1.00 0.00 N ATOM 0 H ASN A 110 4.427 -12.443 -3.704 1.00 0.00 H new ATOM 0 HA ASN A 110 5.042 -10.327 -1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.587 -11.038 -1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 110 6.456 -11.548 -0.584 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.090 -14.675 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.167 -13.170 -0.269 1.00 0.00 H new ATOM 1634 N MET A 111 5.226 -10.606 -4.823 1.00 0.00 N ATOM 1635 CA MET A 111 5.624 -10.181 -6.154 1.00 0.00 C ATOM 1636 C MET A 111 7.010 -10.721 -6.510 1.00 0.00 C ATOM 1637 O MET A 111 8.014 -10.032 -6.331 1.00 0.00 O ATOM 1638 CB MET A 111 5.639 -8.652 -6.218 1.00 0.00 C ATOM 1639 CG MET A 111 4.217 -8.093 -6.296 1.00 0.00 C ATOM 1640 SD MET A 111 3.739 -7.875 -8.002 1.00 0.00 S ATOM 1641 CE MET A 111 2.079 -7.259 -7.782 1.00 0.00 C ATOM 0 H MET A 111 4.237 -10.834 -4.726 1.00 0.00 H new ATOM 0 HA MET A 111 4.906 -10.577 -6.872 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.143 -8.252 -5.338 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.210 -8.326 -7.088 1.00 0.00 H new ATOM 0 HG2 MET A 111 3.523 -8.771 -5.799 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.163 -7.140 -5.770 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.655 -7.001 -8.753 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.466 -8.027 -7.310 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.101 -6.372 -7.149 1.00 0.00 H new