USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 831 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 76 SER OG : rot 113:sc= 1.05 USER MOD Set 1.2: A 99 TYR OH : rot 8:sc= -0.308 USER MOD Set 2.1: A 44 SER OG : rot 159:sc= 1.09! USER MOD Set 2.2: A 49 TYR OH : rot -92:sc= 0.747 USER MOD Set 3.1: A 34 MET CE :methyl 170:sc= -3.09 (180deg=-1.59) USER MOD Set 3.2: A 58 ASN : amide:sc= -9.44! C(o=-13!,f=-15!) USER MOD Single : A 9 GLN : amide:sc= -0.285 K(o=-0.28,f=-2!) USER MOD Single : A 13 GLN :FLIP amide:sc= -4.21! C(o=-5.2!,f=-4.2!) USER MOD Single : A 15 MET CE :methyl -169:sc= 0 (180deg=-0.253) USER MOD Single : A 16 GLN : amide:sc= -2.95! C(o=-3!,f=-9.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -2.01 (180deg=-2.32) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 19:sc= 0.505 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 144:sc= -3.21! (180deg=-6.66!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -6.34 K(o=-6.3,f=-16!) USER MOD Single : A 81 SER OG : rot 100:sc= 1.23 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 157:sc= -0.253 (180deg=-1.98!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -2.08 K(o=-2.1,f=-13!) USER MOD Single : A 102 SER OG : rot -120:sc= -1.2 USER MOD Single : A 107 MET CE :methyl -125:sc= -9.39! (180deg=-15.8!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -1.304 -18.732 -5.884 1.00 0.00 N ATOM 116 CA PRO A 8 -0.510 -17.642 -5.345 1.00 0.00 C ATOM 117 C PRO A 8 -1.337 -16.359 -5.247 1.00 0.00 C ATOM 118 O PRO A 8 -0.829 -15.318 -4.832 1.00 0.00 O ATOM 119 CB PRO A 8 0.675 -17.514 -6.287 1.00 0.00 C ATOM 120 CG PRO A 8 0.266 -18.219 -7.570 1.00 0.00 C ATOM 121 CD PRO A 8 -0.975 -19.045 -7.271 1.00 0.00 C ATOM 0 HA PRO A 8 -0.172 -17.832 -4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.913 -16.467 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.566 -17.971 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.061 -17.493 -8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.073 -18.858 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.795 -18.785 -7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.783 -20.110 -7.402 1.00 0.00 H new ATOM 129 N GLN A 9 -2.599 -16.474 -5.635 1.00 0.00 N ATOM 130 CA GLN A 9 -3.501 -15.336 -5.597 1.00 0.00 C ATOM 131 C GLN A 9 -4.125 -15.201 -4.206 1.00 0.00 C ATOM 132 O GLN A 9 -4.516 -14.107 -3.800 1.00 0.00 O ATOM 133 CB GLN A 9 -4.581 -15.456 -6.673 1.00 0.00 C ATOM 134 CG GLN A 9 -4.746 -14.139 -7.434 1.00 0.00 C ATOM 135 CD GLN A 9 -4.152 -14.241 -8.841 1.00 0.00 C ATOM 136 OE1 GLN A 9 -4.035 -15.310 -9.416 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.786 -13.072 -9.360 1.00 0.00 N ATOM 0 H GLN A 9 -3.018 -17.339 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.926 -14.434 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.318 -16.252 -7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.529 -15.735 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.803 -13.883 -7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.256 -13.334 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.912 -12.214 -8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.379 -13.034 -10.295 1.00 0.00 H new ATOM 146 N ARG A 10 -4.202 -16.329 -3.514 1.00 0.00 N ATOM 147 CA ARG A 10 -4.773 -16.350 -2.178 1.00 0.00 C ATOM 148 C ARG A 10 -3.833 -15.657 -1.190 1.00 0.00 C ATOM 149 O ARG A 10 -4.259 -14.796 -0.422 1.00 0.00 O ATOM 150 CB ARG A 10 -5.027 -17.784 -1.711 1.00 0.00 C ATOM 151 CG ARG A 10 -6.116 -17.827 -0.637 1.00 0.00 C ATOM 152 CD ARG A 10 -5.509 -17.733 0.764 1.00 0.00 C ATOM 153 NE ARG A 10 -4.941 -19.044 1.157 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.354 -19.286 2.348 1.00 0.00 C ATOM 155 NH1 ARG A 10 -4.254 -18.311 3.275 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.881 -20.494 2.593 1.00 0.00 N ATOM 0 H ARG A 10 -3.878 -17.235 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.724 -15.819 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.324 -18.399 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.105 -18.210 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.815 -17.005 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.686 -18.752 -0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.731 -16.970 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.272 -17.428 1.480 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.997 -19.810 0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.624 -17.381 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.809 -18.504 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.962 -21.226 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.434 -20.695 3.488 1.00 0.00 H new ATOM 169 N VAL A 11 -2.572 -16.061 -1.239 1.00 0.00 N ATOM 170 CA VAL A 11 -1.568 -15.490 -0.356 1.00 0.00 C ATOM 171 C VAL A 11 -1.404 -14.002 -0.672 1.00 0.00 C ATOM 172 O VAL A 11 -1.268 -13.182 0.234 1.00 0.00 O ATOM 173 CB VAL A 11 -0.260 -16.274 -0.475 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.704 -15.590 -1.448 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.390 -16.466 0.896 1.00 0.00 C ATOM 0 H VAL A 11 -2.222 -16.777 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.885 -15.568 0.684 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.496 -17.260 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.626 -16.168 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.243 -15.528 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.931 -14.586 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.318 -17.026 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.605 -15.492 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.289 -17.016 1.547 1.00 0.00 H new ATOM 185 N ALA A 12 -1.422 -13.698 -1.963 1.00 0.00 N ATOM 186 CA ALA A 12 -1.278 -12.323 -2.409 1.00 0.00 C ATOM 187 C ALA A 12 -2.437 -11.488 -1.862 1.00 0.00 C ATOM 188 O ALA A 12 -2.237 -10.357 -1.422 1.00 0.00 O ATOM 189 CB ALA A 12 -1.205 -12.289 -3.938 1.00 0.00 C ATOM 0 H ALA A 12 -1.534 -14.380 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.353 -11.890 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.097 -11.258 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.348 -12.872 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.118 -12.713 -4.355 1.00 0.00 H new ATOM 195 N GLN A 13 -3.621 -12.079 -1.905 1.00 0.00 N ATOM 196 CA GLN A 13 -4.812 -11.405 -1.418 1.00 0.00 C ATOM 197 C GLN A 13 -4.756 -11.260 0.104 1.00 0.00 C ATOM 198 O GLN A 13 -4.715 -10.146 0.624 1.00 0.00 O ATOM 199 CB GLN A 13 -6.079 -12.144 -1.853 1.00 0.00 C ATOM 200 CG GLN A 13 -6.293 -12.024 -3.363 1.00 0.00 C ATOM 201 CD GLN A 13 -5.130 -11.281 -4.024 1.00 0.00 C ATOM 202 OE1 GLN A 13 -5.255 -9.957 -4.007 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -4.184 -11.871 -4.518 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.781 -13.018 -2.270 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.845 -10.408 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.004 -13.195 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.941 -11.735 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.390 -13.018 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.226 -11.496 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.151 -12.890 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.426 -11.345 -4.953 1.00 0.00 H new ATOM 212 N GLU A 14 -4.758 -12.403 0.774 1.00 0.00 N ATOM 213 CA GLU A 14 -4.708 -12.418 2.226 1.00 0.00 C ATOM 214 C GLU A 14 -3.764 -11.328 2.736 1.00 0.00 C ATOM 215 O GLU A 14 -4.097 -10.603 3.673 1.00 0.00 O ATOM 216 CB GLU A 14 -4.287 -13.796 2.745 1.00 0.00 C ATOM 217 CG GLU A 14 -5.503 -14.609 3.190 1.00 0.00 C ATOM 218 CD GLU A 14 -5.574 -14.700 4.716 1.00 0.00 C ATOM 219 OE1 GLU A 14 -5.830 -13.690 5.387 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.353 -15.875 5.203 1.00 0.00 O ATOM 0 H GLU A 14 -4.793 -13.325 0.338 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.708 -12.212 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.751 -14.335 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.598 -13.679 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.413 -14.148 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.450 -15.611 2.765 1.00 0.00 H new ATOM 228 N MET A 15 -2.607 -11.245 2.099 1.00 0.00 N ATOM 229 CA MET A 15 -1.613 -10.254 2.476 1.00 0.00 C ATOM 230 C MET A 15 -2.044 -8.851 2.042 1.00 0.00 C ATOM 231 O MET A 15 -1.835 -7.882 2.769 1.00 0.00 O ATOM 232 CB MET A 15 -0.273 -10.600 1.824 1.00 0.00 C ATOM 233 CG MET A 15 0.857 -10.589 2.854 1.00 0.00 C ATOM 234 SD MET A 15 2.066 -9.349 2.420 1.00 0.00 S ATOM 235 CE MET A 15 3.567 -10.286 2.648 1.00 0.00 C ATOM 0 H MET A 15 -2.334 -11.848 1.323 1.00 0.00 H new ATOM 0 HA MET A 15 -1.513 -10.264 3.561 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.335 -11.583 1.357 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.055 -9.884 1.032 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.454 -10.385 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.330 -11.570 2.898 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.425 -9.614 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.540 -10.786 3.616 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.654 -11.031 1.857 1.00 0.00 H new ATOM 245 N GLN A 16 -2.639 -8.789 0.860 1.00 0.00 N ATOM 246 CA GLN A 16 -3.102 -7.522 0.322 1.00 0.00 C ATOM 247 C GLN A 16 -4.183 -6.925 1.225 1.00 0.00 C ATOM 248 O GLN A 16 -4.285 -5.705 1.354 1.00 0.00 O ATOM 249 CB GLN A 16 -3.615 -7.689 -1.110 1.00 0.00 C ATOM 250 CG GLN A 16 -3.780 -6.330 -1.796 1.00 0.00 C ATOM 251 CD GLN A 16 -5.182 -5.764 -1.557 1.00 0.00 C ATOM 252 OE1 GLN A 16 -5.855 -6.087 -0.594 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.582 -4.904 -2.490 1.00 0.00 N ATOM 0 H GLN A 16 -2.811 -9.596 0.260 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.259 -6.832 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.920 -8.306 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.571 -8.213 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.033 -5.633 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.603 -6.435 -2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.967 -4.677 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.503 -4.471 -2.423 1.00 0.00 H new ATOM 262 N LYS A 17 -4.964 -7.810 1.826 1.00 0.00 N ATOM 263 CA LYS A 17 -6.032 -7.386 2.713 1.00 0.00 C ATOM 264 C LYS A 17 -5.436 -6.954 4.054 1.00 0.00 C ATOM 265 O LYS A 17 -5.843 -5.941 4.622 1.00 0.00 O ATOM 266 CB LYS A 17 -7.094 -8.481 2.836 1.00 0.00 C ATOM 267 CG LYS A 17 -8.295 -7.993 3.649 1.00 0.00 C ATOM 268 CD LYS A 17 -8.988 -9.160 4.355 1.00 0.00 C ATOM 269 CE LYS A 17 -8.578 -9.231 5.828 1.00 0.00 C ATOM 270 NZ LYS A 17 -9.604 -8.594 6.683 1.00 0.00 N ATOM 0 H LYS A 17 -4.878 -8.820 1.715 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.548 -6.519 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.423 -8.786 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.661 -9.360 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.966 -7.260 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.003 -7.488 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.069 -9.045 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.732 -10.095 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.444 -10.271 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.619 -8.733 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.310 -8.651 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.712 -7.596 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.512 -9.087 6.561 1.00 0.00 H new ATOM 283 N GLU A 18 -4.480 -7.743 4.523 1.00 0.00 N ATOM 284 CA GLU A 18 -3.824 -7.456 5.785 1.00 0.00 C ATOM 285 C GLU A 18 -3.012 -6.163 5.680 1.00 0.00 C ATOM 286 O GLU A 18 -3.023 -5.344 6.597 1.00 0.00 O ATOM 287 CB GLU A 18 -2.937 -8.626 6.221 1.00 0.00 C ATOM 288 CG GLU A 18 -2.425 -8.422 7.648 1.00 0.00 C ATOM 289 CD GLU A 18 -3.407 -8.998 8.671 1.00 0.00 C ATOM 290 OE1 GLU A 18 -4.598 -9.161 8.364 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.894 -9.284 9.819 1.00 0.00 O ATOM 0 H GLU A 18 -4.145 -8.582 4.050 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.591 -7.320 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.501 -9.557 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.093 -8.722 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.453 -8.902 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.279 -7.358 7.837 1.00 0.00 H new ATOM 299 N ILE A 19 -2.329 -6.021 4.554 1.00 0.00 N ATOM 300 CA ILE A 19 -1.514 -4.842 4.316 1.00 0.00 C ATOM 301 C ILE A 19 -2.425 -3.651 4.009 1.00 0.00 C ATOM 302 O ILE A 19 -2.214 -2.555 4.525 1.00 0.00 O ATOM 303 CB ILE A 19 -0.475 -5.118 3.227 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.104 -5.028 1.835 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.217 -6.463 3.459 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.129 -5.516 0.762 1.00 0.00 C ATOM 0 H ILE A 19 -2.323 -6.703 3.796 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.944 -4.587 5.210 1.00 0.00 H new ATOM 0 HB ILE A 19 0.294 -4.347 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.014 -5.626 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.393 -3.997 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.951 -6.635 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.719 -6.452 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.525 -7.261 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.600 -5.442 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.770 -4.900 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.138 -6.554 0.959 1.00 0.00 H new ATOM 318 N ALA A 20 -3.418 -3.907 3.170 1.00 0.00 N ATOM 319 CA ALA A 20 -4.361 -2.870 2.789 1.00 0.00 C ATOM 320 C ALA A 20 -4.956 -2.238 4.050 1.00 0.00 C ATOM 321 O ALA A 20 -5.174 -1.028 4.098 1.00 0.00 O ATOM 322 CB ALA A 20 -5.433 -3.467 1.875 1.00 0.00 C ATOM 0 H ALA A 20 -3.590 -4.818 2.744 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.858 -2.080 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.141 -2.689 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.962 -3.876 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.960 -4.261 2.403 1.00 0.00 H new ATOM 328 N LEU A 21 -5.200 -3.085 5.038 1.00 0.00 N ATOM 329 CA LEU A 21 -5.764 -2.625 6.296 1.00 0.00 C ATOM 330 C LEU A 21 -4.718 -1.799 7.048 1.00 0.00 C ATOM 331 O LEU A 21 -4.961 -0.643 7.387 1.00 0.00 O ATOM 332 CB LEU A 21 -6.313 -3.806 7.102 1.00 0.00 C ATOM 333 CG LEU A 21 -6.683 -3.509 8.556 1.00 0.00 C ATOM 334 CD1 LEU A 21 -8.159 -3.811 8.818 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.764 -4.263 9.520 1.00 0.00 C ATOM 0 H LEU A 21 -5.018 -4.088 4.994 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.616 -1.970 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.198 -4.188 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.570 -4.604 7.092 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.535 -2.444 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.396 -3.591 9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.778 -3.194 8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.357 -4.864 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.048 -4.035 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.857 -5.335 9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.731 -3.957 9.353 1.00 0.00 H new ATOM 347 N ILE A 22 -3.576 -2.427 7.286 1.00 0.00 N ATOM 348 CA ILE A 22 -2.492 -1.766 7.991 1.00 0.00 C ATOM 349 C ILE A 22 -2.090 -0.502 7.230 1.00 0.00 C ATOM 350 O ILE A 22 -1.503 0.414 7.805 1.00 0.00 O ATOM 351 CB ILE A 22 -1.333 -2.738 8.227 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.790 -3.948 9.043 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.143 -2.026 8.873 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.647 -4.949 9.227 1.00 0.00 C ATOM 0 H ILE A 22 -3.378 -3.387 7.003 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.819 -1.451 8.982 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.997 -3.111 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.150 -3.619 10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.627 -4.434 8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.666 -2.739 9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.201 -1.225 8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.447 -1.606 9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.999 -5.800 9.811 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.305 -5.295 8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.178 -4.467 9.750 1.00 0.00 H new ATOM 366 N LEU A 23 -2.420 -0.493 5.946 1.00 0.00 N ATOM 367 CA LEU A 23 -2.100 0.644 5.100 1.00 0.00 C ATOM 368 C LEU A 23 -3.232 1.670 5.181 1.00 0.00 C ATOM 369 O LEU A 23 -3.059 2.823 4.793 1.00 0.00 O ATOM 370 CB LEU A 23 -1.791 0.180 3.674 1.00 0.00 C ATOM 371 CG LEU A 23 -0.911 1.114 2.842 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.261 1.646 3.670 1.00 0.00 C ATOM 373 CD2 LEU A 23 -0.439 0.424 1.560 1.00 0.00 C ATOM 0 H LEU A 23 -2.905 -1.255 5.472 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.195 1.139 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.304 -0.794 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.734 0.037 3.147 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.512 1.974 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.871 2.307 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.121 2.199 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.869 0.811 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.185 1.109 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.138 -0.464 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.304 0.135 0.963 1.00 0.00 H new ATOM 385 N GLN A 24 -4.368 1.212 5.688 1.00 0.00 N ATOM 386 CA GLN A 24 -5.528 2.074 5.825 1.00 0.00 C ATOM 387 C GLN A 24 -5.801 2.369 7.302 1.00 0.00 C ATOM 388 O GLN A 24 -6.651 3.194 7.627 1.00 0.00 O ATOM 389 CB GLN A 24 -6.756 1.453 5.155 1.00 0.00 C ATOM 390 CG GLN A 24 -7.175 2.259 3.924 1.00 0.00 C ATOM 391 CD GLN A 24 -8.306 1.558 3.169 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.464 1.604 3.550 1.00 0.00 O ATOM 393 NE2 GLN A 24 -7.906 0.908 2.079 1.00 0.00 N ATOM 0 H GLN A 24 -4.509 0.254 6.009 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.316 3.016 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.536 0.426 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.581 1.413 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.499 3.254 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.319 2.391 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.920 0.910 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.585 0.408 1.506 1.00 0.00 H new ATOM 402 N ARG A 25 -5.062 1.676 8.155 1.00 0.00 N ATOM 403 CA ARG A 25 -5.212 1.852 9.590 1.00 0.00 C ATOM 404 C ARG A 25 -3.942 2.465 10.185 1.00 0.00 C ATOM 405 O ARG A 25 -3.996 3.516 10.822 1.00 0.00 O ATOM 406 CB ARG A 25 -5.498 0.519 10.282 1.00 0.00 C ATOM 407 CG ARG A 25 -6.897 0.512 10.903 1.00 0.00 C ATOM 408 CD ARG A 25 -6.843 0.914 12.379 1.00 0.00 C ATOM 409 NE ARG A 25 -7.922 0.232 13.127 1.00 0.00 N ATOM 410 CZ ARG A 25 -8.020 0.223 14.475 1.00 0.00 C ATOM 411 NH1 ARG A 25 -7.102 0.860 15.232 1.00 0.00 N ATOM 412 NH2 ARG A 25 -9.026 -0.419 15.040 1.00 0.00 N ATOM 0 H ARG A 25 -4.357 0.991 7.881 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.056 2.522 9.755 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.412 -0.295 9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.752 0.340 11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.544 1.200 10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.336 -0.481 10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.873 0.650 12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.949 1.995 12.475 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.636 -0.262 12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.327 1.353 14.787 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.183 0.849 16.249 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.715 -0.899 14.460 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.114 -0.435 16.056 1.00 0.00 H new ATOM 425 N GLU A 26 -2.830 1.781 9.958 1.00 0.00 N ATOM 426 CA GLU A 26 -1.549 2.247 10.463 1.00 0.00 C ATOM 427 C GLU A 26 -1.112 3.511 9.721 1.00 0.00 C ATOM 428 O GLU A 26 -0.165 4.179 10.131 1.00 0.00 O ATOM 429 CB GLU A 26 -0.487 1.151 10.354 1.00 0.00 C ATOM 430 CG GLU A 26 0.501 1.457 9.225 1.00 0.00 C ATOM 431 CD GLU A 26 1.612 2.390 9.709 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.488 2.772 8.918 1.00 0.00 O ATOM 433 OE2 GLU A 26 1.546 2.720 10.955 1.00 0.00 O ATOM 0 H GLU A 26 -2.789 0.908 9.432 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.664 2.493 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.050 1.064 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.968 0.190 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.936 0.528 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.027 1.916 8.389 1.00 0.00 H new ATOM 441 N ILE A 27 -1.824 3.800 8.642 1.00 0.00 N ATOM 442 CA ILE A 27 -1.521 4.972 7.839 1.00 0.00 C ATOM 443 C ILE A 27 -2.460 6.114 8.234 1.00 0.00 C ATOM 444 O ILE A 27 -3.316 5.945 9.102 1.00 0.00 O ATOM 445 CB ILE A 27 -1.566 4.627 6.348 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.222 4.916 5.678 1.00 0.00 C ATOM 447 CG2 ILE A 27 -2.721 5.351 5.652 1.00 0.00 C ATOM 448 CD1 ILE A 27 -0.373 4.996 4.156 1.00 0.00 C ATOM 0 H ILE A 27 -2.609 3.243 8.305 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.504 5.313 8.034 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.751 3.557 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.183 5.855 6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.492 4.134 5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.730 5.089 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.665 5.053 6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.591 6.428 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.597 5.202 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.755 4.048 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.069 5.795 3.901 1.00 0.00 H new ATOM 460 N LYS A 28 -2.270 7.248 7.578 1.00 0.00 N ATOM 461 CA LYS A 28 -3.091 8.417 7.850 1.00 0.00 C ATOM 462 C LYS A 28 -4.125 8.581 6.735 1.00 0.00 C ATOM 463 O LYS A 28 -4.041 9.514 5.938 1.00 0.00 O ATOM 464 CB LYS A 28 -2.212 9.651 8.060 1.00 0.00 C ATOM 465 CG LYS A 28 -1.427 9.988 6.790 1.00 0.00 C ATOM 466 CD LYS A 28 0.080 9.853 7.024 1.00 0.00 C ATOM 467 CE LYS A 28 0.512 8.386 6.980 1.00 0.00 C ATOM 468 NZ LYS A 28 1.988 8.280 6.996 1.00 0.00 N ATOM 0 H LYS A 28 -1.560 7.384 6.859 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.644 8.286 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.833 10.500 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.520 9.473 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.734 9.324 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.660 11.005 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.622 10.418 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.342 10.284 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.094 7.852 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.117 7.911 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.273 7.348 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.396 9.025 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.334 8.392 7.971 1.00 0.00 H new ATOM 481 N ASP A 29 -5.075 7.658 6.713 1.00 0.00 N ATOM 482 CA ASP A 29 -6.125 7.689 5.708 1.00 0.00 C ATOM 483 C ASP A 29 -7.320 8.475 6.248 1.00 0.00 C ATOM 484 O ASP A 29 -7.818 9.386 5.587 1.00 0.00 O ATOM 485 CB ASP A 29 -6.603 6.275 5.369 1.00 0.00 C ATOM 486 CG ASP A 29 -8.120 6.120 5.240 1.00 0.00 C ATOM 487 OD1 ASP A 29 -8.659 6.009 4.128 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.764 6.115 6.357 1.00 0.00 O ATOM 0 H ASP A 29 -5.140 6.884 7.374 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.720 8.159 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.140 5.966 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.247 5.592 6.141 1.00 0.00 H new ATOM 494 N PRO A 30 -7.757 8.087 7.476 1.00 0.00 N ATOM 495 CA PRO A 30 -8.883 8.746 8.112 1.00 0.00 C ATOM 496 C PRO A 30 -8.482 10.121 8.653 1.00 0.00 C ATOM 497 O PRO A 30 -9.313 10.842 9.203 1.00 0.00 O ATOM 498 CB PRO A 30 -9.335 7.788 9.202 1.00 0.00 C ATOM 499 CG PRO A 30 -8.166 6.848 9.442 1.00 0.00 C ATOM 500 CD PRO A 30 -7.191 7.014 8.287 1.00 0.00 C ATOM 0 HA PRO A 30 -9.697 8.951 7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.596 8.327 10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.223 7.236 8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.679 7.079 10.389 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.512 5.816 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.194 7.271 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.096 6.092 7.713 1.00 0.00 H new ATOM 508 N ARG A 31 -7.210 10.442 8.475 1.00 0.00 N ATOM 509 CA ARG A 31 -6.687 11.716 8.937 1.00 0.00 C ATOM 510 C ARG A 31 -6.765 12.758 7.821 1.00 0.00 C ATOM 511 O ARG A 31 -7.001 13.937 8.082 1.00 0.00 O ATOM 512 CB ARG A 31 -5.235 11.581 9.399 1.00 0.00 C ATOM 513 CG ARG A 31 -4.579 12.956 9.555 1.00 0.00 C ATOM 514 CD ARG A 31 -3.492 13.165 8.499 1.00 0.00 C ATOM 515 NE ARG A 31 -2.977 14.551 8.571 1.00 0.00 N ATOM 516 CZ ARG A 31 -3.626 15.626 8.075 1.00 0.00 C ATOM 517 NH1 ARG A 31 -4.822 15.483 7.465 1.00 0.00 N ATOM 518 NH2 ARG A 31 -3.073 16.819 8.196 1.00 0.00 N ATOM 0 H ARG A 31 -6.525 9.841 8.017 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.296 12.037 9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.200 11.047 10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.674 10.986 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.335 13.736 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.146 13.046 10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.678 12.457 8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.896 12.969 7.506 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.076 14.703 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.242 14.558 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.306 16.300 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.169 16.918 8.658 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.550 17.642 7.827 1.00 0.00 H new ATOM 531 N LEU A 32 -6.562 12.287 6.599 1.00 0.00 N ATOM 532 CA LEU A 32 -6.607 13.162 5.442 1.00 0.00 C ATOM 533 C LEU A 32 -8.066 13.462 5.089 1.00 0.00 C ATOM 534 O LEU A 32 -8.355 14.446 4.411 1.00 0.00 O ATOM 535 CB LEU A 32 -5.807 12.563 4.284 1.00 0.00 C ATOM 536 CG LEU A 32 -4.316 12.910 4.247 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.507 11.950 5.120 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.799 12.952 2.808 1.00 0.00 C ATOM 0 H LEU A 32 -6.366 11.309 6.386 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.130 14.116 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.906 11.478 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.259 12.891 3.348 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.187 13.909 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.452 12.219 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.855 12.015 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.637 10.931 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.738 13.201 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.943 11.978 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.348 13.708 2.246 1.00 0.00 H new ATOM 550 N GLY A 33 -8.946 12.596 5.568 1.00 0.00 N ATOM 551 CA GLY A 33 -10.368 12.756 5.312 1.00 0.00 C ATOM 552 C GLY A 33 -10.772 12.061 4.010 1.00 0.00 C ATOM 553 O GLY A 33 -11.828 12.352 3.450 1.00 0.00 O ATOM 0 H GLY A 33 -8.703 11.781 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.940 12.341 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.614 13.816 5.254 1.00 0.00 H new ATOM 557 N MET A 34 -9.911 11.157 3.567 1.00 0.00 N ATOM 558 CA MET A 34 -10.166 10.419 2.342 1.00 0.00 C ATOM 559 C MET A 34 -10.084 8.911 2.582 1.00 0.00 C ATOM 560 O MET A 34 -9.577 8.470 3.612 1.00 0.00 O ATOM 561 CB MET A 34 -9.140 10.823 1.280 1.00 0.00 C ATOM 562 CG MET A 34 -9.445 12.216 0.726 1.00 0.00 C ATOM 563 SD MET A 34 -8.750 13.464 1.797 1.00 0.00 S ATOM 564 CE MET A 34 -7.380 14.009 0.790 1.00 0.00 C ATOM 0 H MET A 34 -9.036 10.919 4.034 1.00 0.00 H new ATOM 0 HA MET A 34 -11.172 10.659 1.999 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.139 10.811 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.146 10.096 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.032 12.316 -0.278 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.523 12.355 0.643 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.942 14.907 1.226 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.626 13.223 0.745 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.734 14.230 -0.217 1.00 0.00 H new ATOM 574 N MET A 35 -10.592 8.161 1.616 1.00 0.00 N ATOM 575 CA MET A 35 -10.583 6.711 1.710 1.00 0.00 C ATOM 576 C MET A 35 -9.634 6.100 0.677 1.00 0.00 C ATOM 577 O MET A 35 -10.070 5.649 -0.382 1.00 0.00 O ATOM 578 CB MET A 35 -11.998 6.175 1.483 1.00 0.00 C ATOM 579 CG MET A 35 -12.391 5.183 2.579 1.00 0.00 C ATOM 580 SD MET A 35 -12.500 3.536 1.903 1.00 0.00 S ATOM 581 CE MET A 35 -13.090 2.650 3.335 1.00 0.00 C ATOM 0 H MET A 35 -11.013 8.530 0.763 1.00 0.00 H new ATOM 0 HA MET A 35 -10.235 6.433 2.705 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.706 7.003 1.466 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.054 5.688 0.509 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.655 5.207 3.383 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.348 5.470 3.014 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.214 1.596 3.085 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.369 2.748 4.146 1.00 0.00 H new ATOM 0 HE3 MET A 35 -14.048 3.063 3.649 1.00 0.00 H new ATOM 591 N THR A 36 -8.354 6.105 1.019 1.00 0.00 N ATOM 592 CA THR A 36 -7.340 5.557 0.135 1.00 0.00 C ATOM 593 C THR A 36 -7.793 4.207 -0.424 1.00 0.00 C ATOM 594 O THR A 36 -8.787 3.643 0.032 1.00 0.00 O ATOM 595 CB THR A 36 -6.024 5.483 0.912 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.335 4.671 2.042 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.626 6.829 1.519 1.00 0.00 C ATOM 0 H THR A 36 -7.996 6.480 1.897 1.00 0.00 H new ATOM 0 HA THR A 36 -7.185 6.197 -0.733 1.00 0.00 H new ATOM 0 HB THR A 36 -5.231 5.135 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.537 4.569 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.686 6.721 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.505 7.565 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.403 7.162 2.207 1.00 0.00 H new ATOM 605 N THR A 37 -7.042 3.727 -1.405 1.00 0.00 N ATOM 606 CA THR A 37 -7.354 2.452 -2.031 1.00 0.00 C ATOM 607 C THR A 37 -6.073 1.758 -2.494 1.00 0.00 C ATOM 608 O THR A 37 -5.022 2.389 -2.593 1.00 0.00 O ATOM 609 CB THR A 37 -8.348 2.714 -3.165 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.612 2.781 -2.513 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.479 1.522 -4.115 1.00 0.00 C ATOM 0 H THR A 37 -6.219 4.197 -1.782 1.00 0.00 H new ATOM 0 HA THR A 37 -7.819 1.766 -1.323 1.00 0.00 H new ATOM 0 HB THR A 37 -8.033 3.593 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.478 2.950 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.196 1.760 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.509 1.305 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.826 0.650 -3.560 1.00 0.00 H new ATOM 619 N VAL A 38 -6.202 0.468 -2.764 1.00 0.00 N ATOM 620 CA VAL A 38 -5.067 -0.320 -3.213 1.00 0.00 C ATOM 621 C VAL A 38 -5.445 -1.067 -4.495 1.00 0.00 C ATOM 622 O VAL A 38 -5.780 -2.248 -4.452 1.00 0.00 O ATOM 623 CB VAL A 38 -4.600 -1.253 -2.094 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.469 -2.164 -2.574 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.175 -0.456 -0.858 1.00 0.00 C ATOM 0 H VAL A 38 -7.076 -0.052 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.223 0.328 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.442 -1.886 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.156 -2.816 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.820 -2.770 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.624 -1.556 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.847 -1.143 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.355 0.213 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.019 0.130 -0.495 1.00 0.00 H new ATOM 635 N SER A 39 -5.378 -0.345 -5.603 1.00 0.00 N ATOM 636 CA SER A 39 -5.709 -0.925 -6.894 1.00 0.00 C ATOM 637 C SER A 39 -4.456 -1.522 -7.536 1.00 0.00 C ATOM 638 O SER A 39 -4.310 -1.505 -8.758 1.00 0.00 O ATOM 639 CB SER A 39 -6.333 0.119 -7.822 1.00 0.00 C ATOM 640 OG SER A 39 -7.605 -0.297 -8.314 1.00 0.00 O ATOM 0 H SER A 39 -5.100 0.636 -5.634 1.00 0.00 H new ATOM 0 HA SER A 39 -6.441 -1.717 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.442 1.062 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.663 0.305 -8.661 1.00 0.00 H new ATOM 0 HG SER A 39 -7.971 0.397 -8.901 1.00 0.00 H new ATOM 646 N GLY A 40 -3.580 -2.037 -6.685 1.00 0.00 N ATOM 647 CA GLY A 40 -2.345 -2.640 -7.154 1.00 0.00 C ATOM 648 C GLY A 40 -1.499 -3.139 -5.980 1.00 0.00 C ATOM 649 O GLY A 40 -1.343 -2.440 -4.981 1.00 0.00 O ATOM 0 H GLY A 40 -3.702 -2.049 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.572 -3.471 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.777 -1.912 -7.733 1.00 0.00 H new ATOM 653 N VAL A 41 -0.973 -4.344 -6.142 1.00 0.00 N ATOM 654 CA VAL A 41 -0.145 -4.945 -5.110 1.00 0.00 C ATOM 655 C VAL A 41 0.796 -5.968 -5.747 1.00 0.00 C ATOM 656 O VAL A 41 0.366 -6.802 -6.542 1.00 0.00 O ATOM 657 CB VAL A 41 -1.030 -5.546 -4.016 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.040 -6.532 -4.607 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.182 -6.212 -2.929 1.00 0.00 C ATOM 0 H VAL A 41 -1.104 -4.921 -6.973 1.00 0.00 H new ATOM 0 HA VAL A 41 0.476 -4.189 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.589 -4.733 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.656 -6.944 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.676 -6.015 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.508 -7.340 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.835 -6.631 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.416 -7.009 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.478 -5.471 -2.477 1.00 0.00 H new ATOM 669 N GLU A 42 2.064 -5.871 -5.373 1.00 0.00 N ATOM 670 CA GLU A 42 3.070 -6.777 -5.899 1.00 0.00 C ATOM 671 C GLU A 42 4.035 -7.199 -4.788 1.00 0.00 C ATOM 672 O GLU A 42 4.601 -6.352 -4.098 1.00 0.00 O ATOM 673 CB GLU A 42 3.823 -6.141 -7.069 1.00 0.00 C ATOM 674 CG GLU A 42 2.851 -5.518 -8.072 1.00 0.00 C ATOM 675 CD GLU A 42 2.249 -6.586 -8.987 1.00 0.00 C ATOM 676 OE1 GLU A 42 1.550 -7.491 -8.508 1.00 0.00 O ATOM 677 OE2 GLU A 42 2.529 -6.453 -10.240 1.00 0.00 O ATOM 0 H GLU A 42 2.417 -5.179 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 42 2.568 -7.668 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.505 -5.377 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.432 -6.895 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.054 -5.000 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.371 -4.771 -8.672 1.00 0.00 H new ATOM 685 N MET A 43 4.194 -8.507 -4.652 1.00 0.00 N ATOM 686 CA MET A 43 5.082 -9.051 -3.639 1.00 0.00 C ATOM 687 C MET A 43 6.002 -10.120 -4.232 1.00 0.00 C ATOM 688 O MET A 43 5.557 -11.222 -4.545 1.00 0.00 O ATOM 689 CB MET A 43 4.253 -9.662 -2.508 1.00 0.00 C ATOM 690 CG MET A 43 3.020 -8.806 -2.208 1.00 0.00 C ATOM 691 SD MET A 43 1.535 -9.743 -2.524 1.00 0.00 S ATOM 692 CE MET A 43 1.571 -10.860 -1.133 1.00 0.00 C ATOM 0 H MET A 43 3.723 -9.206 -5.226 1.00 0.00 H new ATOM 0 HA MET A 43 5.700 -8.241 -3.252 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.942 -10.670 -2.783 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.865 -9.751 -1.611 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.039 -8.478 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.032 -7.908 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.554 -11.043 -0.787 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.027 -11.803 -1.435 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.154 -10.417 -0.326 1.00 0.00 H new ATOM 702 N SER A 44 7.269 -9.755 -4.367 1.00 0.00 N ATOM 703 CA SER A 44 8.257 -10.669 -4.917 1.00 0.00 C ATOM 704 C SER A 44 9.200 -11.146 -3.812 1.00 0.00 C ATOM 705 O SER A 44 10.039 -10.383 -3.335 1.00 0.00 O ATOM 706 CB SER A 44 9.051 -10.009 -6.045 1.00 0.00 C ATOM 707 OG SER A 44 8.886 -10.692 -7.285 1.00 0.00 O ATOM 0 H SER A 44 7.634 -8.839 -4.105 1.00 0.00 H new ATOM 0 HA SER A 44 7.733 -11.529 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.730 -8.973 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.108 -9.989 -5.780 1.00 0.00 H new ATOM 0 HG SER A 44 9.114 -10.089 -8.023 1.00 0.00 H new ATOM 713 N ARG A 45 9.034 -12.406 -3.437 1.00 0.00 N ATOM 714 CA ARG A 45 9.860 -12.994 -2.397 1.00 0.00 C ATOM 715 C ARG A 45 10.952 -13.868 -3.018 1.00 0.00 C ATOM 716 O ARG A 45 11.798 -14.410 -2.307 1.00 0.00 O ATOM 717 CB ARG A 45 9.021 -13.841 -1.440 1.00 0.00 C ATOM 718 CG ARG A 45 8.249 -12.957 -0.458 1.00 0.00 C ATOM 719 CD ARG A 45 6.755 -12.946 -0.791 1.00 0.00 C ATOM 720 NE ARG A 45 6.271 -14.330 -0.995 1.00 0.00 N ATOM 721 CZ ARG A 45 5.920 -15.165 0.007 1.00 0.00 C ATOM 722 NH1 ARG A 45 5.996 -14.762 1.292 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.501 -16.380 -0.291 1.00 0.00 N ATOM 0 H ARG A 45 8.338 -13.037 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 45 10.317 -12.179 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.322 -14.455 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.669 -14.523 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.396 -13.321 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.641 -11.940 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.197 -12.473 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.579 -12.354 -1.689 1.00 0.00 H new ATOM 0 HE ARG A 45 6.198 -14.675 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.320 -13.821 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.729 -15.399 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.446 -16.676 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.232 -17.024 0.453 1.00 0.00 H new ATOM 736 N ASP A 46 10.899 -13.978 -4.338 1.00 0.00 N ATOM 737 CA ASP A 46 11.873 -14.777 -5.061 1.00 0.00 C ATOM 738 C ASP A 46 13.275 -14.225 -4.799 1.00 0.00 C ATOM 739 O ASP A 46 14.269 -14.904 -5.047 1.00 0.00 O ATOM 740 CB ASP A 46 11.617 -14.722 -6.570 1.00 0.00 C ATOM 741 CG ASP A 46 11.067 -16.011 -7.179 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.778 -16.984 -6.466 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.934 -15.995 -8.461 1.00 0.00 O ATOM 0 H ASP A 46 10.197 -13.527 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 46 11.787 -15.808 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.916 -13.913 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.551 -14.470 -7.073 1.00 0.00 H new ATOM 749 N LEU A 47 13.310 -12.999 -4.299 1.00 0.00 N ATOM 750 CA LEU A 47 14.574 -12.348 -3.999 1.00 0.00 C ATOM 751 C LEU A 47 14.419 -11.496 -2.739 1.00 0.00 C ATOM 752 O LEU A 47 14.926 -11.852 -1.676 1.00 0.00 O ATOM 753 CB LEU A 47 15.075 -11.564 -5.214 1.00 0.00 C ATOM 754 CG LEU A 47 16.247 -12.186 -5.977 1.00 0.00 C ATOM 755 CD1 LEU A 47 15.749 -13.039 -7.146 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.235 -11.111 -6.432 1.00 0.00 C ATOM 0 H LEU A 47 12.483 -12.439 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 47 15.343 -13.091 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.243 -11.436 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.370 -10.568 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 47 16.783 -12.851 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.602 -13.469 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.114 -13.840 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.176 -12.416 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.058 -11.579 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.727 -10.404 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.625 -10.583 -5.562 1.00 0.00 H new ATOM 768 N ALA A 48 13.715 -10.385 -2.897 1.00 0.00 N ATOM 769 CA ALA A 48 13.484 -9.479 -1.785 1.00 0.00 C ATOM 770 C ALA A 48 13.079 -8.106 -2.327 1.00 0.00 C ATOM 771 O ALA A 48 13.783 -7.119 -2.117 1.00 0.00 O ATOM 772 CB ALA A 48 14.739 -9.414 -0.912 1.00 0.00 C ATOM 0 H ALA A 48 13.296 -10.091 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 48 12.668 -9.840 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.567 -8.734 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.968 -10.409 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.578 -9.053 -1.507 1.00 0.00 H new ATOM 778 N TYR A 49 11.946 -8.087 -3.011 1.00 0.00 N ATOM 779 CA TYR A 49 11.439 -6.851 -3.584 1.00 0.00 C ATOM 780 C TYR A 49 9.935 -6.950 -3.853 1.00 0.00 C ATOM 781 O TYR A 49 9.453 -7.970 -4.343 1.00 0.00 O ATOM 782 CB TYR A 49 12.171 -6.672 -4.915 1.00 0.00 C ATOM 783 CG TYR A 49 11.817 -7.724 -5.968 1.00 0.00 C ATOM 784 CD1 TYR A 49 10.765 -7.507 -6.835 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.551 -8.891 -6.051 1.00 0.00 C ATOM 786 CE1 TYR A 49 10.433 -8.498 -7.824 1.00 0.00 C ATOM 787 CE2 TYR A 49 12.218 -9.881 -7.042 1.00 0.00 C ATOM 788 CZ TYR A 49 11.176 -9.636 -7.880 1.00 0.00 C ATOM 789 OH TYR A 49 10.862 -10.572 -8.816 1.00 0.00 O ATOM 0 H TYR A 49 11.364 -8.907 -3.182 1.00 0.00 H new ATOM 0 HA TYR A 49 11.601 -6.016 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.942 -5.683 -5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.245 -6.702 -4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.192 -6.594 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.374 -9.061 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.611 -8.342 -8.507 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.784 -10.798 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 49 10.239 -11.224 -8.431 1.00 0.00 H new ATOM 799 N ALA A 50 9.235 -5.874 -3.521 1.00 0.00 N ATOM 800 CA ALA A 50 7.797 -5.827 -3.720 1.00 0.00 C ATOM 801 C ALA A 50 7.397 -4.424 -4.185 1.00 0.00 C ATOM 802 O ALA A 50 8.165 -3.474 -4.033 1.00 0.00 O ATOM 803 CB ALA A 50 7.088 -6.236 -2.427 1.00 0.00 C ATOM 0 H ALA A 50 9.638 -5.029 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 50 7.494 -6.531 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.009 -6.201 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.383 -7.249 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.366 -5.550 -1.627 1.00 0.00 H new ATOM 809 N LYS A 51 6.198 -4.339 -4.740 1.00 0.00 N ATOM 810 CA LYS A 51 5.688 -3.068 -5.228 1.00 0.00 C ATOM 811 C LYS A 51 4.179 -3.003 -4.984 1.00 0.00 C ATOM 812 O LYS A 51 3.408 -3.686 -5.654 1.00 0.00 O ATOM 813 CB LYS A 51 6.084 -2.858 -6.691 1.00 0.00 C ATOM 814 CG LYS A 51 7.009 -3.976 -7.175 1.00 0.00 C ATOM 815 CD LYS A 51 7.296 -3.841 -8.672 1.00 0.00 C ATOM 816 CE LYS A 51 8.561 -3.016 -8.915 1.00 0.00 C ATOM 817 NZ LYS A 51 9.145 -3.340 -10.236 1.00 0.00 N ATOM 0 H LYS A 51 5.564 -5.129 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 51 6.137 -2.240 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.189 -2.827 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.583 -1.895 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.945 -3.945 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.550 -4.944 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.412 -4.830 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.448 -3.368 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.324 -1.953 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.290 -3.217 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.003 -2.771 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.389 -4.350 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.454 -3.126 -10.983 1.00 0.00 H new ATOM 830 N VAL A 52 3.804 -2.172 -4.022 1.00 0.00 N ATOM 831 CA VAL A 52 2.401 -2.008 -3.681 1.00 0.00 C ATOM 832 C VAL A 52 1.900 -0.670 -4.228 1.00 0.00 C ATOM 833 O VAL A 52 2.668 0.284 -4.344 1.00 0.00 O ATOM 834 CB VAL A 52 2.211 -2.143 -2.168 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.931 -1.440 -1.711 1.00 0.00 C ATOM 836 CG2 VAL A 52 2.210 -3.613 -1.746 1.00 0.00 C ATOM 0 H VAL A 52 4.447 -1.606 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 52 1.802 -2.793 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 52 3.054 -1.654 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.820 -1.551 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.988 -0.381 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.072 -1.886 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.073 -3.682 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.396 -4.135 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.160 -4.071 -2.021 1.00 0.00 H new ATOM 846 N TYR A 53 0.616 -0.642 -4.552 1.00 0.00 N ATOM 847 CA TYR A 53 0.005 0.565 -5.085 1.00 0.00 C ATOM 848 C TYR A 53 -0.997 1.157 -4.090 1.00 0.00 C ATOM 849 O TYR A 53 -1.689 0.421 -3.387 1.00 0.00 O ATOM 850 CB TYR A 53 -0.744 0.135 -6.348 1.00 0.00 C ATOM 851 CG TYR A 53 -0.392 0.957 -7.589 1.00 0.00 C ATOM 852 CD1 TYR A 53 -0.011 2.276 -7.457 1.00 0.00 C ATOM 853 CD2 TYR A 53 -0.459 0.380 -8.841 1.00 0.00 C ATOM 854 CE1 TYR A 53 0.319 3.051 -8.626 1.00 0.00 C ATOM 855 CE2 TYR A 53 -0.128 1.155 -10.009 1.00 0.00 C ATOM 856 CZ TYR A 53 0.244 2.452 -9.844 1.00 0.00 C ATOM 857 OH TYR A 53 0.555 3.183 -10.947 1.00 0.00 O ATOM 0 H TYR A 53 -0.018 -1.435 -4.456 1.00 0.00 H new ATOM 0 HA TYR A 53 0.762 1.323 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.528 -0.915 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.816 0.211 -6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.040 2.728 -6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.759 -0.652 -8.945 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.619 4.085 -8.537 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.174 0.715 -10.994 1.00 0.00 H new ATOM 0 HH TYR A 53 0.458 2.625 -11.747 1.00 0.00 H new ATOM 867 N VAL A 54 -1.042 2.480 -4.063 1.00 0.00 N ATOM 868 CA VAL A 54 -1.946 3.180 -3.168 1.00 0.00 C ATOM 869 C VAL A 54 -2.477 4.434 -3.863 1.00 0.00 C ATOM 870 O VAL A 54 -1.707 5.323 -4.223 1.00 0.00 O ATOM 871 CB VAL A 54 -1.240 3.484 -1.844 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.317 2.287 -0.895 1.00 0.00 C ATOM 873 CG2 VAL A 54 0.212 3.904 -2.080 1.00 0.00 C ATOM 0 H VAL A 54 -0.466 3.086 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.805 2.554 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.757 4.320 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.808 2.529 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.361 2.053 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.837 1.425 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.690 4.114 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.746 3.099 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.235 4.799 -2.702 1.00 0.00 H new ATOM 883 N THR A 55 -3.792 4.467 -4.032 1.00 0.00 N ATOM 884 CA THR A 55 -4.435 5.598 -4.678 1.00 0.00 C ATOM 885 C THR A 55 -5.249 6.401 -3.661 1.00 0.00 C ATOM 886 O THR A 55 -6.048 5.839 -2.917 1.00 0.00 O ATOM 887 CB THR A 55 -5.275 5.063 -5.841 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.345 5.998 -5.955 1.00 0.00 O ATOM 889 CG2 THR A 55 -5.969 3.741 -5.502 1.00 0.00 C ATOM 0 H THR A 55 -4.429 3.728 -3.732 1.00 0.00 H new ATOM 0 HA THR A 55 -3.699 6.294 -5.081 1.00 0.00 H new ATOM 0 HB THR A 55 -4.639 4.925 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.938 5.729 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.551 3.405 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.219 2.989 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.631 3.886 -4.649 1.00 0.00 H new ATOM 897 N PHE A 56 -5.014 7.706 -3.662 1.00 0.00 N ATOM 898 CA PHE A 56 -5.715 8.593 -2.749 1.00 0.00 C ATOM 899 C PHE A 56 -6.523 9.642 -3.516 1.00 0.00 C ATOM 900 O PHE A 56 -6.371 9.783 -4.728 1.00 0.00 O ATOM 901 CB PHE A 56 -4.650 9.300 -1.909 1.00 0.00 C ATOM 902 CG PHE A 56 -3.601 8.360 -1.313 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.935 7.081 -0.997 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.333 8.804 -1.100 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.961 6.207 -0.445 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.358 7.931 -0.549 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.692 6.651 -0.232 1.00 0.00 C ATOM 0 H PHE A 56 -4.348 8.170 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.407 8.021 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.147 10.042 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.140 9.840 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.942 6.729 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.068 9.821 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.227 5.191 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.351 8.283 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.951 5.987 0.188 1.00 0.00 H new ATOM 917 N LEU A 57 -7.364 10.349 -2.777 1.00 0.00 N ATOM 918 CA LEU A 57 -8.196 11.381 -3.372 1.00 0.00 C ATOM 919 C LEU A 57 -7.635 12.758 -3.005 1.00 0.00 C ATOM 920 O LEU A 57 -8.352 13.757 -3.054 1.00 0.00 O ATOM 921 CB LEU A 57 -9.660 11.187 -2.971 1.00 0.00 C ATOM 922 CG LEU A 57 -10.693 11.926 -3.823 1.00 0.00 C ATOM 923 CD1 LEU A 57 -10.787 11.317 -5.223 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.052 11.967 -3.123 1.00 0.00 C ATOM 0 H LEU A 57 -7.488 10.228 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.175 11.307 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.887 10.121 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.778 11.506 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.361 12.957 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.529 11.861 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.817 11.384 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.083 10.271 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.768 12.498 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.404 10.950 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.954 12.483 -2.168 1.00 0.00 H new ATOM 936 N ASN A 58 -6.361 12.765 -2.646 1.00 0.00 N ATOM 937 CA ASN A 58 -5.696 14.002 -2.271 1.00 0.00 C ATOM 938 C ASN A 58 -5.697 14.958 -3.465 1.00 0.00 C ATOM 939 O ASN A 58 -5.688 16.176 -3.290 1.00 0.00 O ATOM 940 CB ASN A 58 -4.243 13.746 -1.871 1.00 0.00 C ATOM 941 CG ASN A 58 -4.076 13.787 -0.350 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.478 12.915 0.259 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.639 14.845 0.227 1.00 0.00 N ATOM 0 H ASN A 58 -5.771 11.934 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.232 14.431 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.924 12.775 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.598 14.495 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.585 14.963 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.125 15.538 -0.342 1.00 0.00 H new ATOM 950 N ASP A 59 -5.707 14.372 -4.653 1.00 0.00 N ATOM 951 CA ASP A 59 -5.709 15.155 -5.876 1.00 0.00 C ATOM 952 C ASP A 59 -6.602 16.383 -5.688 1.00 0.00 C ATOM 953 O ASP A 59 -6.246 17.485 -6.102 1.00 0.00 O ATOM 954 CB ASP A 59 -6.261 14.345 -7.050 1.00 0.00 C ATOM 955 CG ASP A 59 -6.548 15.154 -8.316 1.00 0.00 C ATOM 956 OD1 ASP A 59 -5.629 15.680 -8.961 1.00 0.00 O ATOM 957 OD2 ASP A 59 -7.794 15.235 -8.640 1.00 0.00 O ATOM 0 H ASP A 59 -5.714 13.362 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.681 15.445 -6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.549 13.557 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.182 13.856 -6.733 1.00 0.00 H new ATOM 963 N LYS A 60 -7.747 16.152 -5.063 1.00 0.00 N ATOM 964 CA LYS A 60 -8.695 17.225 -4.814 1.00 0.00 C ATOM 965 C LYS A 60 -7.932 18.497 -4.438 1.00 0.00 C ATOM 966 O LYS A 60 -8.265 19.586 -4.903 1.00 0.00 O ATOM 967 CB LYS A 60 -9.728 16.798 -3.770 1.00 0.00 C ATOM 968 CG LYS A 60 -10.970 16.204 -4.438 1.00 0.00 C ATOM 969 CD LYS A 60 -12.224 16.998 -4.066 1.00 0.00 C ATOM 970 CE LYS A 60 -13.061 16.248 -3.030 1.00 0.00 C ATOM 971 NZ LYS A 60 -14.504 16.483 -3.259 1.00 0.00 N ATOM 0 H LYS A 60 -8.040 15.237 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.263 17.447 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.287 16.064 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.013 17.657 -3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.841 16.206 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.089 15.164 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.938 17.973 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.822 17.180 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.847 15.181 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.788 16.576 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.057 15.966 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.706 17.500 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.764 16.148 -4.209 1.00 0.00 H new ATOM 984 N ASP A 61 -6.921 18.317 -3.602 1.00 0.00 N ATOM 985 CA ASP A 61 -6.108 19.436 -3.157 1.00 0.00 C ATOM 986 C ASP A 61 -4.631 19.112 -3.392 1.00 0.00 C ATOM 987 O ASP A 61 -4.099 18.167 -2.811 1.00 0.00 O ATOM 988 CB ASP A 61 -6.302 19.701 -1.662 1.00 0.00 C ATOM 989 CG ASP A 61 -7.611 19.166 -1.078 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.613 19.890 -0.985 1.00 0.00 O ATOM 991 OD2 ASP A 61 -7.575 17.933 -0.700 1.00 0.00 O ATOM 0 H ASP A 61 -6.646 17.412 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.412 20.318 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.469 19.255 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.257 20.776 -1.489 1.00 0.00 H new ATOM 997 N GLU A 62 -4.010 19.914 -4.245 1.00 0.00 N ATOM 998 CA GLU A 62 -2.604 19.725 -4.563 1.00 0.00 C ATOM 999 C GLU A 62 -1.739 20.014 -3.335 1.00 0.00 C ATOM 1000 O GLU A 62 -0.586 19.588 -3.270 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.188 20.599 -5.746 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.984 19.997 -6.476 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.656 20.794 -7.741 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.946 20.334 -8.856 1.00 0.00 O ATOM 1005 OE2 GLU A 62 -0.078 21.929 -7.536 1.00 0.00 O ATOM 0 H GLU A 62 -4.455 20.696 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.453 18.685 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.024 20.702 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.941 21.600 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.119 19.988 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.195 18.960 -6.739 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.327 20.737 -2.393 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.623 21.088 -1.171 1.00 0.00 C ATOM 1015 C ASP A 63 -1.539 19.859 -0.265 1.00 0.00 C ATOM 1016 O ASP A 63 -0.496 19.594 0.332 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.363 22.189 -0.407 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.487 23.355 0.055 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.545 24.459 -0.507 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -0.710 23.091 1.050 1.00 0.00 O ATOM 0 H ASP A 63 -3.282 21.089 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.629 21.443 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.158 22.580 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.842 21.746 0.466 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.648 19.139 -0.191 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.712 17.944 0.634 1.00 0.00 C ATOM 1028 C ALA A 64 -2.071 16.777 -0.119 1.00 0.00 C ATOM 1029 O ALA A 64 -1.669 15.787 0.490 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.168 17.663 1.012 1.00 0.00 C ATOM 0 H ALA A 64 -3.510 19.360 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.155 18.086 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.217 16.767 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.570 18.510 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.756 17.511 0.107 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.993 16.933 -1.433 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.406 15.904 -2.275 1.00 0.00 C ATOM 1038 C VAL A 65 0.117 15.941 -2.132 1.00 0.00 C ATOM 1039 O VAL A 65 0.761 14.896 -2.039 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.875 16.079 -3.720 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.779 16.711 -4.579 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.337 14.746 -4.313 1.00 0.00 C ATOM 0 H VAL A 65 -2.326 17.756 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.738 14.916 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.729 16.756 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.138 16.824 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.519 17.689 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.103 16.070 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.665 14.899 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.511 14.035 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.165 14.353 -3.723 1.00 0.00 H new ATOM 1052 N LYS A 66 0.648 17.153 -2.118 1.00 0.00 N ATOM 1053 CA LYS A 66 2.083 17.340 -1.988 1.00 0.00 C ATOM 1054 C LYS A 66 2.506 17.026 -0.551 1.00 0.00 C ATOM 1055 O LYS A 66 3.364 16.175 -0.326 1.00 0.00 O ATOM 1056 CB LYS A 66 2.486 18.740 -2.454 1.00 0.00 C ATOM 1057 CG LYS A 66 3.971 18.794 -2.815 1.00 0.00 C ATOM 1058 CD LYS A 66 4.523 20.212 -2.663 1.00 0.00 C ATOM 1059 CE LYS A 66 5.417 20.583 -3.849 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.842 20.391 -3.503 1.00 0.00 N ATOM 0 H LYS A 66 0.111 18.017 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 66 2.617 16.647 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.888 19.025 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.273 19.464 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.529 18.112 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.112 18.454 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.698 20.921 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.092 20.287 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.160 19.969 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.242 21.621 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.435 20.647 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.087 20.996 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.008 19.395 -3.254 1.00 0.00 H new ATOM 1073 N ALA A 67 1.883 17.731 0.382 1.00 0.00 N ATOM 1074 CA ALA A 67 2.184 17.538 1.791 1.00 0.00 C ATOM 1075 C ALA A 67 1.829 16.104 2.191 1.00 0.00 C ATOM 1076 O ALA A 67 2.661 15.386 2.744 1.00 0.00 O ATOM 1077 CB ALA A 67 1.431 18.579 2.621 1.00 0.00 C ATOM 0 H ALA A 67 1.172 18.436 0.190 1.00 0.00 H new ATOM 0 HA ALA A 67 3.248 17.679 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.657 18.434 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.740 19.579 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.359 18.466 2.460 1.00 0.00 H new ATOM 1083 N GLY A 68 0.592 15.731 1.898 1.00 0.00 N ATOM 1084 CA GLY A 68 0.118 14.396 2.220 1.00 0.00 C ATOM 1085 C GLY A 68 1.098 13.330 1.727 1.00 0.00 C ATOM 1086 O GLY A 68 1.646 12.570 2.524 1.00 0.00 O ATOM 0 H GLY A 68 -0.096 16.330 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.013 14.303 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.859 14.234 1.765 1.00 0.00 H new ATOM 1090 N ILE A 69 1.290 13.310 0.417 1.00 0.00 N ATOM 1091 CA ILE A 69 2.196 12.350 -0.193 1.00 0.00 C ATOM 1092 C ILE A 69 3.562 12.443 0.487 1.00 0.00 C ATOM 1093 O ILE A 69 4.285 11.452 0.576 1.00 0.00 O ATOM 1094 CB ILE A 69 2.246 12.549 -1.709 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.554 11.232 -2.424 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.238 13.652 -2.084 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.150 11.302 -3.899 1.00 0.00 C ATOM 0 H ILE A 69 0.834 13.943 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 69 1.834 11.333 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 69 1.261 12.874 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.618 11.011 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.022 10.416 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.255 13.774 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.933 14.589 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.234 13.380 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.379 10.353 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.081 11.499 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.702 12.104 -4.390 1.00 0.00 H new ATOM 1109 N LYS A 70 3.878 13.645 0.946 1.00 0.00 N ATOM 1110 CA LYS A 70 5.147 13.882 1.614 1.00 0.00 C ATOM 1111 C LYS A 70 5.155 13.150 2.958 1.00 0.00 C ATOM 1112 O LYS A 70 6.196 12.665 3.399 1.00 0.00 O ATOM 1113 CB LYS A 70 5.419 15.383 1.731 1.00 0.00 C ATOM 1114 CG LYS A 70 6.572 15.803 0.814 1.00 0.00 C ATOM 1115 CD LYS A 70 6.282 15.425 -0.639 1.00 0.00 C ATOM 1116 CE LYS A 70 6.469 16.627 -1.566 1.00 0.00 C ATOM 1117 NZ LYS A 70 7.900 16.807 -1.901 1.00 0.00 N ATOM 0 H LYS A 70 3.277 14.466 0.869 1.00 0.00 H new ATOM 0 HA LYS A 70 5.969 13.477 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.520 15.941 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.661 15.633 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.728 16.879 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.495 15.324 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.945 14.617 -0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.262 15.051 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.891 16.483 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.086 17.527 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.009 17.627 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.443 16.966 -1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.255 15.954 -2.379 1.00 0.00 H new ATOM 1130 N ALA A 71 3.982 13.094 3.573 1.00 0.00 N ATOM 1131 CA ALA A 71 3.840 12.429 4.857 1.00 0.00 C ATOM 1132 C ALA A 71 3.786 10.916 4.640 1.00 0.00 C ATOM 1133 O ALA A 71 4.441 10.159 5.354 1.00 0.00 O ATOM 1134 CB ALA A 71 2.598 12.962 5.574 1.00 0.00 C ATOM 0 H ALA A 71 3.121 13.499 3.205 1.00 0.00 H new ATOM 0 HA ALA A 71 4.698 12.639 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.492 12.463 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.701 14.036 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.715 12.768 4.965 1.00 0.00 H new ATOM 1140 N LEU A 72 2.998 10.520 3.652 1.00 0.00 N ATOM 1141 CA LEU A 72 2.848 9.111 3.332 1.00 0.00 C ATOM 1142 C LEU A 72 4.149 8.592 2.714 1.00 0.00 C ATOM 1143 O LEU A 72 4.393 7.387 2.696 1.00 0.00 O ATOM 1144 CB LEU A 72 1.617 8.889 2.450 1.00 0.00 C ATOM 1145 CG LEU A 72 0.726 7.704 2.829 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.727 7.962 2.429 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.263 6.402 2.234 1.00 0.00 C ATOM 0 H LEU A 72 2.456 11.151 3.062 1.00 0.00 H new ATOM 0 HA LEU A 72 2.671 8.531 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.011 9.795 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.951 8.753 1.421 1.00 0.00 H new ATOM 0 HG LEU A 72 0.746 7.594 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.339 7.105 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.093 8.852 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.786 8.113 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.611 5.576 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.292 6.483 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.269 6.217 2.611 1.00 0.00 H new ATOM 1159 N GLN A 73 4.947 9.528 2.223 1.00 0.00 N ATOM 1160 CA GLN A 73 6.217 9.181 1.606 1.00 0.00 C ATOM 1161 C GLN A 73 7.276 8.927 2.680 1.00 0.00 C ATOM 1162 O GLN A 73 7.941 7.892 2.670 1.00 0.00 O ATOM 1163 CB GLN A 73 6.670 10.271 0.633 1.00 0.00 C ATOM 1164 CG GLN A 73 6.027 10.080 -0.741 1.00 0.00 C ATOM 1165 CD GLN A 73 6.012 11.394 -1.526 1.00 0.00 C ATOM 1166 OE1 GLN A 73 6.081 12.478 -0.972 1.00 0.00 O ATOM 1167 NE2 GLN A 73 5.917 11.236 -2.843 1.00 0.00 N ATOM 0 H GLN A 73 4.740 10.527 2.239 1.00 0.00 H new ATOM 0 HA GLN A 73 6.083 8.264 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.405 11.251 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.756 10.249 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.576 9.323 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.008 9.712 -0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.863 10.299 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.898 12.052 -3.455 1.00 0.00 H new ATOM 1176 N GLU A 74 7.403 9.891 3.581 1.00 0.00 N ATOM 1177 CA GLU A 74 8.372 9.786 4.658 1.00 0.00 C ATOM 1178 C GLU A 74 8.005 8.629 5.590 1.00 0.00 C ATOM 1179 O GLU A 74 8.880 8.030 6.214 1.00 0.00 O ATOM 1180 CB GLU A 74 8.476 11.101 5.432 1.00 0.00 C ATOM 1181 CG GLU A 74 7.213 11.352 6.260 1.00 0.00 C ATOM 1182 CD GLU A 74 7.525 11.341 7.757 1.00 0.00 C ATOM 1183 OE1 GLU A 74 8.347 10.530 8.212 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.881 12.212 8.455 1.00 0.00 O ATOM 0 H GLU A 74 6.850 10.748 3.587 1.00 0.00 H new ATOM 0 HA GLU A 74 9.350 9.581 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.346 11.073 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.629 11.926 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.778 12.312 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.469 10.588 6.035 1.00 0.00 H new ATOM 1192 N ALA A 75 6.712 8.349 5.653 1.00 0.00 N ATOM 1193 CA ALA A 75 6.219 7.274 6.498 1.00 0.00 C ATOM 1194 C ALA A 75 6.323 5.949 5.741 1.00 0.00 C ATOM 1195 O ALA A 75 5.872 4.914 6.230 1.00 0.00 O ATOM 1196 CB ALA A 75 4.788 7.586 6.937 1.00 0.00 C ATOM 0 H ALA A 75 5.990 8.848 5.133 1.00 0.00 H new ATOM 0 HA ALA A 75 6.824 7.186 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.418 6.780 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.775 8.522 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.150 7.679 6.058 1.00 0.00 H new ATOM 1202 N SER A 76 6.917 6.023 4.560 1.00 0.00 N ATOM 1203 CA SER A 76 7.085 4.843 3.730 1.00 0.00 C ATOM 1204 C SER A 76 7.755 3.727 4.536 1.00 0.00 C ATOM 1205 O SER A 76 7.102 2.763 4.929 1.00 0.00 O ATOM 1206 CB SER A 76 7.906 5.160 2.479 1.00 0.00 C ATOM 1207 OG SER A 76 7.155 5.902 1.522 1.00 0.00 O ATOM 0 H SER A 76 7.289 6.883 4.157 1.00 0.00 H new ATOM 0 HA SER A 76 6.099 4.509 3.408 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.793 5.726 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.252 4.230 2.027 1.00 0.00 H new ATOM 0 HG SER A 76 7.528 6.805 1.442 1.00 0.00 H new ATOM 1213 N GLY A 77 9.051 3.899 4.759 1.00 0.00 N ATOM 1214 CA GLY A 77 9.816 2.918 5.510 1.00 0.00 C ATOM 1215 C GLY A 77 9.071 2.497 6.778 1.00 0.00 C ATOM 1216 O GLY A 77 9.348 1.438 7.342 1.00 0.00 O ATOM 0 H GLY A 77 9.589 4.702 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.004 2.044 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.787 3.335 5.776 1.00 0.00 H new ATOM 1220 N PHE A 78 8.141 3.345 7.190 1.00 0.00 N ATOM 1221 CA PHE A 78 7.355 3.074 8.381 1.00 0.00 C ATOM 1222 C PHE A 78 6.306 1.992 8.111 1.00 0.00 C ATOM 1223 O PHE A 78 6.120 1.087 8.922 1.00 0.00 O ATOM 1224 CB PHE A 78 6.642 4.376 8.754 1.00 0.00 C ATOM 1225 CG PHE A 78 6.886 4.827 10.196 1.00 0.00 C ATOM 1226 CD1 PHE A 78 6.085 4.370 11.195 1.00 0.00 C ATOM 1227 CD2 PHE A 78 7.903 5.685 10.476 1.00 0.00 C ATOM 1228 CE1 PHE A 78 6.311 4.790 12.533 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.129 6.105 11.814 1.00 0.00 C ATOM 1230 CZ PHE A 78 7.327 5.648 12.815 1.00 0.00 C ATOM 0 H PHE A 78 7.914 4.221 6.720 1.00 0.00 H new ATOM 0 HA PHE A 78 8.004 2.722 9.183 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.970 5.165 8.077 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.570 4.249 8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.278 3.688 10.971 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.539 6.047 9.681 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.675 4.427 13.327 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.937 6.786 12.037 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.498 5.967 13.833 1.00 0.00 H new ATOM 1240 N ILE A 79 5.648 2.123 6.968 1.00 0.00 N ATOM 1241 CA ILE A 79 4.623 1.169 6.581 1.00 0.00 C ATOM 1242 C ILE A 79 5.284 -0.162 6.214 1.00 0.00 C ATOM 1243 O ILE A 79 4.748 -1.228 6.515 1.00 0.00 O ATOM 1244 CB ILE A 79 3.746 1.746 5.468 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.416 1.584 4.102 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.382 3.204 5.758 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.002 2.710 3.152 1.00 0.00 C ATOM 0 H ILE A 79 5.805 2.876 6.298 1.00 0.00 H new ATOM 0 HA ILE A 79 3.951 0.973 7.416 1.00 0.00 H new ATOM 0 HB ILE A 79 2.815 1.180 5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.499 1.584 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.143 0.621 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.758 3.591 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.836 3.262 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.292 3.799 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.492 2.571 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.921 2.692 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.298 3.670 3.575 1.00 0.00 H new ATOM 1259 N ARG A 80 6.438 -0.057 5.571 1.00 0.00 N ATOM 1260 CA ARG A 80 7.177 -1.238 5.161 1.00 0.00 C ATOM 1261 C ARG A 80 7.725 -1.972 6.386 1.00 0.00 C ATOM 1262 O ARG A 80 7.611 -3.193 6.483 1.00 0.00 O ATOM 1263 CB ARG A 80 8.336 -0.868 4.235 1.00 0.00 C ATOM 1264 CG ARG A 80 9.417 -1.952 4.249 1.00 0.00 C ATOM 1265 CD ARG A 80 10.313 -1.848 3.012 1.00 0.00 C ATOM 1266 NE ARG A 80 11.573 -1.153 3.358 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.358 -0.520 2.461 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.018 -0.486 1.155 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.463 0.069 2.880 1.00 0.00 N ATOM 0 H ARG A 80 6.879 0.829 5.324 1.00 0.00 H new ATOM 0 HA ARG A 80 6.490 -1.889 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.965 -0.732 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.766 0.084 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.022 -1.856 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.950 -2.936 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.531 -2.844 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.794 -1.306 2.221 1.00 0.00 H new ATOM 0 HE ARG A 80 11.866 -1.152 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.162 -0.941 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.617 -0.005 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.712 0.041 3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.067 0.552 2.215 1.00 0.00 H new ATOM 1282 N SER A 81 8.309 -1.198 7.287 1.00 0.00 N ATOM 1283 CA SER A 81 8.877 -1.760 8.502 1.00 0.00 C ATOM 1284 C SER A 81 7.758 -2.167 9.462 1.00 0.00 C ATOM 1285 O SER A 81 7.876 -3.165 10.171 1.00 0.00 O ATOM 1286 CB SER A 81 9.822 -0.766 9.180 1.00 0.00 C ATOM 1287 OG SER A 81 10.860 -0.334 8.304 1.00 0.00 O ATOM 0 H SER A 81 8.402 -0.186 7.201 1.00 0.00 H new ATOM 0 HA SER A 81 9.456 -2.643 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.254 0.099 9.523 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.262 -1.229 10.063 1.00 0.00 H new ATOM 0 HG SER A 81 10.631 0.544 7.933 1.00 0.00 H new ATOM 1293 N LEU A 82 6.696 -1.376 9.452 1.00 0.00 N ATOM 1294 CA LEU A 82 5.555 -1.641 10.313 1.00 0.00 C ATOM 1295 C LEU A 82 4.899 -2.957 9.892 1.00 0.00 C ATOM 1296 O LEU A 82 4.387 -3.697 10.729 1.00 0.00 O ATOM 1297 CB LEU A 82 4.598 -0.449 10.318 1.00 0.00 C ATOM 1298 CG LEU A 82 3.310 -0.625 11.126 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.969 0.652 11.897 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.158 -1.080 10.229 1.00 0.00 C ATOM 0 H LEU A 82 6.601 -0.550 8.861 1.00 0.00 H new ATOM 0 HA LEU A 82 5.878 -1.763 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.132 0.418 10.707 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.328 -0.221 9.287 1.00 0.00 H new ATOM 0 HG LEU A 82 3.472 -1.412 11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.050 0.501 12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.782 0.891 12.583 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.832 1.475 11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.255 -1.197 10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.984 -0.334 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.412 -2.033 9.765 1.00 0.00 H new ATOM 1312 N LEU A 83 4.933 -3.207 8.590 1.00 0.00 N ATOM 1313 CA LEU A 83 4.347 -4.420 8.046 1.00 0.00 C ATOM 1314 C LEU A 83 5.194 -5.623 8.467 1.00 0.00 C ATOM 1315 O LEU A 83 4.711 -6.513 9.165 1.00 0.00 O ATOM 1316 CB LEU A 83 4.165 -4.294 6.533 1.00 0.00 C ATOM 1317 CG LEU A 83 2.798 -3.795 6.061 1.00 0.00 C ATOM 1318 CD1 LEU A 83 2.426 -2.483 6.751 1.00 0.00 C ATOM 1319 CD2 LEU A 83 2.757 -3.671 4.536 1.00 0.00 C ATOM 0 H LEU A 83 5.357 -2.590 7.897 1.00 0.00 H new ATOM 0 HA LEU A 83 3.347 -4.577 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.929 -3.617 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.349 -5.269 6.082 1.00 0.00 H new ATOM 0 HG LEU A 83 2.048 -4.533 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.450 -2.150 6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.388 -2.637 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.174 -1.725 6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.775 -3.315 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.519 -2.965 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.948 -4.645 4.086 1.00 0.00 H new ATOM 1331 N GLY A 84 6.442 -5.611 8.023 1.00 0.00 N ATOM 1332 CA GLY A 84 7.361 -6.691 8.345 1.00 0.00 C ATOM 1333 C GLY A 84 7.241 -7.092 9.817 1.00 0.00 C ATOM 1334 O GLY A 84 7.152 -8.276 10.136 1.00 0.00 O ATOM 0 H GLY A 84 6.839 -4.871 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.151 -7.553 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.383 -6.379 8.131 1.00 0.00 H new ATOM 1338 N LYS A 85 7.245 -6.082 10.675 1.00 0.00 N ATOM 1339 CA LYS A 85 7.139 -6.313 12.104 1.00 0.00 C ATOM 1340 C LYS A 85 5.710 -6.739 12.444 1.00 0.00 C ATOM 1341 O LYS A 85 5.502 -7.642 13.252 1.00 0.00 O ATOM 1342 CB LYS A 85 7.616 -5.086 12.883 1.00 0.00 C ATOM 1343 CG LYS A 85 9.107 -5.191 13.215 1.00 0.00 C ATOM 1344 CD LYS A 85 9.650 -3.856 13.729 1.00 0.00 C ATOM 1345 CE LYS A 85 9.200 -3.601 15.168 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.330 -3.101 15.983 1.00 0.00 N ATOM 0 H LYS A 85 7.320 -5.101 10.406 1.00 0.00 H new ATOM 0 HA LYS A 85 7.796 -7.129 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.433 -4.185 12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.041 -4.989 13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.262 -5.964 13.967 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.660 -5.495 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.739 -3.859 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.304 -3.046 13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.387 -2.875 15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.810 -4.522 15.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.008 -2.933 16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.094 -3.807 15.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.684 -2.211 15.577 1.00 0.00 H new ATOM 1359 N ALA A 86 4.759 -6.069 11.808 1.00 0.00 N ATOM 1360 CA ALA A 86 3.355 -6.366 12.031 1.00 0.00 C ATOM 1361 C ALA A 86 3.080 -7.820 11.648 1.00 0.00 C ATOM 1362 O ALA A 86 2.243 -8.481 12.263 1.00 0.00 O ATOM 1363 CB ALA A 86 2.493 -5.381 11.240 1.00 0.00 C ATOM 0 H ALA A 86 4.935 -5.321 11.138 1.00 0.00 H new ATOM 0 HA ALA A 86 3.100 -6.249 13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.439 -5.604 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.706 -4.364 11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.719 -5.472 10.178 1.00 0.00 H new ATOM 1369 N MET A 87 3.799 -8.279 10.634 1.00 0.00 N ATOM 1370 CA MET A 87 3.641 -9.645 10.164 1.00 0.00 C ATOM 1371 C MET A 87 4.881 -10.482 10.487 1.00 0.00 C ATOM 1372 O MET A 87 5.036 -11.592 9.978 1.00 0.00 O ATOM 1373 CB MET A 87 3.410 -9.639 8.650 1.00 0.00 C ATOM 1374 CG MET A 87 4.714 -9.375 7.897 1.00 0.00 C ATOM 1375 SD MET A 87 4.443 -9.522 6.139 1.00 0.00 S ATOM 1376 CE MET A 87 3.083 -8.386 5.938 1.00 0.00 C ATOM 0 H MET A 87 4.492 -7.730 10.125 1.00 0.00 H new ATOM 0 HA MET A 87 2.784 -10.088 10.671 1.00 0.00 H new ATOM 0 HB2 MET A 87 2.994 -10.597 8.338 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.677 -8.874 8.394 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.085 -8.378 8.134 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.478 -10.084 8.216 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.047 -8.041 4.905 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.149 -8.890 6.185 1.00 0.00 H new ATOM 0 HE3 MET A 87 3.221 -7.532 6.601 1.00 0.00 H new ATOM 1386 N ARG A 88 5.733 -9.919 11.331 1.00 0.00 N ATOM 1387 CA ARG A 88 6.953 -10.601 11.729 1.00 0.00 C ATOM 1388 C ARG A 88 7.352 -11.635 10.674 1.00 0.00 C ATOM 1389 O ARG A 88 6.976 -12.802 10.771 1.00 0.00 O ATOM 1390 CB ARG A 88 6.779 -11.300 13.078 1.00 0.00 C ATOM 1391 CG ARG A 88 7.442 -10.500 14.201 1.00 0.00 C ATOM 1392 CD ARG A 88 7.702 -11.381 15.424 1.00 0.00 C ATOM 1393 NE ARG A 88 6.440 -11.600 16.167 1.00 0.00 N ATOM 1394 CZ ARG A 88 6.341 -12.352 17.284 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.430 -12.964 17.797 1.00 0.00 N ATOM 1396 NH2 ARG A 88 5.163 -12.479 17.866 1.00 0.00 N ATOM 0 H ARG A 88 5.603 -8.998 11.750 1.00 0.00 H new ATOM 0 HA ARG A 88 7.737 -9.850 11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.718 -11.424 13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.214 -12.299 13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.382 -10.079 13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.803 -9.662 14.481 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.120 -12.338 15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.439 -10.908 16.073 1.00 0.00 H new ATOM 0 HE ARG A 88 5.593 -11.155 15.813 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.336 -12.860 17.340 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.346 -13.530 18.641 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.346 -12.013 17.471 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.070 -13.043 18.711 1.00 0.00 H new ATOM 1409 N LEU A 89 8.106 -11.168 9.691 1.00 0.00 N ATOM 1410 CA LEU A 89 8.560 -12.038 8.618 1.00 0.00 C ATOM 1411 C LEU A 89 10.083 -11.947 8.501 1.00 0.00 C ATOM 1412 O LEU A 89 10.767 -11.651 9.481 1.00 0.00 O ATOM 1413 CB LEU A 89 7.824 -11.713 7.316 1.00 0.00 C ATOM 1414 CG LEU A 89 7.411 -12.912 6.461 1.00 0.00 C ATOM 1415 CD1 LEU A 89 6.822 -14.026 7.328 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.456 -12.488 5.344 1.00 0.00 C ATOM 0 H LEU A 89 8.415 -10.199 9.614 1.00 0.00 H new ATOM 0 HA LEU A 89 8.319 -13.077 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.929 -11.141 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.461 -11.065 6.714 1.00 0.00 H new ATOM 0 HG LEU A 89 8.304 -13.314 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.536 -14.867 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.566 -14.354 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.943 -13.652 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.179 -13.360 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.560 -12.045 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.948 -11.756 4.703 1.00 0.00 H new ATOM 1428 N ARG A 90 10.570 -12.205 7.297 1.00 0.00 N ATOM 1429 CA ARG A 90 11.998 -12.156 7.041 1.00 0.00 C ATOM 1430 C ARG A 90 12.266 -11.638 5.627 1.00 0.00 C ATOM 1431 O ARG A 90 13.142 -10.797 5.426 1.00 0.00 O ATOM 1432 CB ARG A 90 12.634 -13.539 7.200 1.00 0.00 C ATOM 1433 CG ARG A 90 11.808 -14.608 6.484 1.00 0.00 C ATOM 1434 CD ARG A 90 12.483 -15.045 5.183 1.00 0.00 C ATOM 1435 NE ARG A 90 11.548 -15.857 4.374 1.00 0.00 N ATOM 1436 CZ ARG A 90 11.167 -17.114 4.692 1.00 0.00 C ATOM 1437 NH1 ARG A 90 11.639 -17.711 5.806 1.00 0.00 N ATOM 1438 NH2 ARG A 90 10.325 -17.746 3.896 1.00 0.00 N ATOM 0 H ARG A 90 10.000 -12.449 6.487 1.00 0.00 H new ATOM 0 HA ARG A 90 12.443 -11.479 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.647 -13.526 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.716 -13.786 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.679 -15.471 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.813 -14.219 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.800 -14.169 4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.380 -15.623 5.406 1.00 0.00 H new ATOM 0 HE ARG A 90 11.167 -15.442 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.288 -17.213 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.347 -18.660 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.973 -17.285 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.026 -18.695 4.120 1.00 0.00 H new ATOM 1451 N ILE A 91 11.497 -12.161 4.684 1.00 0.00 N ATOM 1452 CA ILE A 91 11.640 -11.761 3.294 1.00 0.00 C ATOM 1453 C ILE A 91 11.943 -10.264 3.227 1.00 0.00 C ATOM 1454 O ILE A 91 12.722 -9.822 2.384 1.00 0.00 O ATOM 1455 CB ILE A 91 10.408 -12.176 2.488 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.122 -11.895 3.267 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.506 -13.640 2.052 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.095 -11.178 2.388 1.00 0.00 C ATOM 0 H ILE A 91 10.773 -12.858 4.855 1.00 0.00 H new ATOM 0 HA ILE A 91 12.482 -12.277 2.834 1.00 0.00 H new ATOM 0 HB ILE A 91 10.373 -11.571 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.702 -12.832 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.348 -11.284 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.618 -13.910 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.392 -13.776 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.578 -14.278 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.190 -10.990 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.509 -10.230 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.853 -11.802 1.528 1.00 0.00 H new ATOM 1470 N VAL A 92 11.312 -9.523 4.126 1.00 0.00 N ATOM 1471 CA VAL A 92 11.504 -8.085 4.180 1.00 0.00 C ATOM 1472 C VAL A 92 11.957 -7.583 2.807 1.00 0.00 C ATOM 1473 O VAL A 92 13.039 -7.011 2.678 1.00 0.00 O ATOM 1474 CB VAL A 92 12.483 -7.728 5.300 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.644 -6.212 5.427 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.042 -8.346 6.630 1.00 0.00 C ATOM 0 H VAL A 92 10.666 -9.893 4.824 1.00 0.00 H new ATOM 0 HA VAL A 92 10.565 -7.584 4.416 1.00 0.00 H new ATOM 0 HB VAL A 92 13.455 -8.147 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.345 -5.987 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.024 -5.807 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.677 -5.761 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.754 -8.077 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.054 -7.970 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.003 -9.431 6.532 1.00 0.00 H new ATOM 1486 N PRO A 93 11.086 -7.823 1.791 1.00 0.00 N ATOM 1487 CA PRO A 93 11.386 -7.403 0.434 1.00 0.00 C ATOM 1488 C PRO A 93 11.208 -5.891 0.276 1.00 0.00 C ATOM 1489 O PRO A 93 10.453 -5.270 1.022 1.00 0.00 O ATOM 1490 CB PRO A 93 10.442 -8.206 -0.446 1.00 0.00 C ATOM 1491 CG PRO A 93 9.336 -8.699 0.473 1.00 0.00 C ATOM 1492 CD PRO A 93 9.797 -8.498 1.908 1.00 0.00 C ATOM 0 HA PRO A 93 12.423 -7.590 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.037 -7.590 -1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.961 -9.041 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.413 -8.149 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.124 -9.751 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.085 -7.896 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.894 -9.450 2.430 1.00 0.00 H new ATOM 1500 N GLU A 94 11.916 -5.342 -0.701 1.00 0.00 N ATOM 1501 CA GLU A 94 11.848 -3.916 -0.967 1.00 0.00 C ATOM 1502 C GLU A 94 10.455 -3.539 -1.477 1.00 0.00 C ATOM 1503 O GLU A 94 10.302 -3.132 -2.629 1.00 0.00 O ATOM 1504 CB GLU A 94 12.930 -3.489 -1.960 1.00 0.00 C ATOM 1505 CG GLU A 94 13.484 -2.107 -1.606 1.00 0.00 C ATOM 1506 CD GLU A 94 14.662 -1.742 -2.511 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.455 -1.262 -3.636 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.829 -1.970 -2.007 1.00 0.00 O ATOM 0 H GLU A 94 12.540 -5.861 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 94 12.030 -3.383 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.738 -4.220 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.517 -3.472 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.698 -1.359 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.804 -2.095 -0.564 1.00 0.00 H new ATOM 1516 N LEU A 95 9.477 -3.687 -0.597 1.00 0.00 N ATOM 1517 CA LEU A 95 8.102 -3.367 -0.944 1.00 0.00 C ATOM 1518 C LEU A 95 7.962 -1.853 -1.110 1.00 0.00 C ATOM 1519 O LEU A 95 7.655 -1.145 -0.151 1.00 0.00 O ATOM 1520 CB LEU A 95 7.137 -3.965 0.080 1.00 0.00 C ATOM 1521 CG LEU A 95 5.711 -4.226 -0.413 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.323 -5.694 -0.217 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.718 -3.276 0.257 1.00 0.00 C ATOM 0 H LEU A 95 9.609 -4.024 0.357 1.00 0.00 H new ATOM 0 HA LEU A 95 7.836 -3.819 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.555 -4.906 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.087 -3.294 0.937 1.00 0.00 H new ATOM 0 HG LEU A 95 5.677 -4.025 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.306 -5.852 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.008 -6.329 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.378 -5.947 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.713 -3.482 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.747 -3.422 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.986 -2.246 0.023 1.00 0.00 H new ATOM 1535 N THR A 96 8.195 -1.398 -2.333 1.00 0.00 N ATOM 1536 CA THR A 96 8.098 0.019 -2.636 1.00 0.00 C ATOM 1537 C THR A 96 6.646 0.490 -2.531 1.00 0.00 C ATOM 1538 O THR A 96 5.727 -0.327 -2.476 1.00 0.00 O ATOM 1539 CB THR A 96 8.713 0.250 -4.017 1.00 0.00 C ATOM 1540 OG1 THR A 96 9.006 1.644 -4.038 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.698 0.065 -5.148 1.00 0.00 C ATOM 0 H THR A 96 8.451 -1.987 -3.126 1.00 0.00 H new ATOM 0 HA THR A 96 8.653 0.616 -1.913 1.00 0.00 H new ATOM 0 HB THR A 96 9.547 -0.436 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.410 1.880 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.186 0.240 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.305 -0.951 -5.121 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.880 0.774 -5.022 1.00 0.00 H new ATOM 1549 N PHE A 97 6.483 1.804 -2.506 1.00 0.00 N ATOM 1550 CA PHE A 97 5.158 2.393 -2.408 1.00 0.00 C ATOM 1551 C PHE A 97 4.888 3.333 -3.584 1.00 0.00 C ATOM 1552 O PHE A 97 5.525 4.379 -3.707 1.00 0.00 O ATOM 1553 CB PHE A 97 5.123 3.198 -1.109 1.00 0.00 C ATOM 1554 CG PHE A 97 3.777 3.144 -0.381 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.398 2.008 0.264 1.00 0.00 C ATOM 1556 CD2 PHE A 97 2.961 4.232 -0.379 1.00 0.00 C ATOM 1557 CE1 PHE A 97 2.150 1.958 0.940 1.00 0.00 C ATOM 1558 CE2 PHE A 97 1.713 4.182 0.297 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.333 3.046 0.941 1.00 0.00 C ATOM 0 H PHE A 97 7.247 2.478 -2.552 1.00 0.00 H new ATOM 0 HA PHE A 97 4.400 1.610 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.901 2.826 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.363 4.238 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.046 1.144 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.262 5.134 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.850 1.056 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.066 5.046 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.383 3.008 1.453 1.00 0.00 H new ATOM 1569 N PHE A 98 3.945 2.927 -4.420 1.00 0.00 N ATOM 1570 CA PHE A 98 3.583 3.720 -5.584 1.00 0.00 C ATOM 1571 C PHE A 98 2.325 4.547 -5.312 1.00 0.00 C ATOM 1572 O PHE A 98 1.235 3.997 -5.161 1.00 0.00 O ATOM 1573 CB PHE A 98 3.298 2.739 -6.723 1.00 0.00 C ATOM 1574 CG PHE A 98 4.280 2.841 -7.891 1.00 0.00 C ATOM 1575 CD1 PHE A 98 5.472 2.191 -7.836 1.00 0.00 C ATOM 1576 CD2 PHE A 98 3.959 3.581 -8.986 1.00 0.00 C ATOM 1577 CE1 PHE A 98 6.385 2.285 -8.920 1.00 0.00 C ATOM 1578 CE2 PHE A 98 4.871 3.675 -10.072 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.063 3.025 -10.015 1.00 0.00 C ATOM 0 H PHE A 98 3.420 2.059 -4.315 1.00 0.00 H new ATOM 0 HA PHE A 98 4.391 4.407 -5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.322 1.723 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.288 2.913 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.726 1.602 -6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.011 4.097 -9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.333 1.770 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.617 4.263 -10.942 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.756 3.096 -10.840 1.00 0.00 H new ATOM 1589 N TYR A 99 2.517 5.857 -5.259 1.00 0.00 N ATOM 1590 CA TYR A 99 1.412 6.766 -5.009 1.00 0.00 C ATOM 1591 C TYR A 99 0.703 7.139 -6.311 1.00 0.00 C ATOM 1592 O TYR A 99 1.216 7.937 -7.095 1.00 0.00 O ATOM 1593 CB TYR A 99 2.032 8.026 -4.400 1.00 0.00 C ATOM 1594 CG TYR A 99 3.289 7.762 -3.568 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.174 7.427 -2.234 1.00 0.00 C ATOM 1596 CD2 TYR A 99 4.536 7.858 -4.152 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.357 7.179 -1.451 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.718 7.610 -3.369 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.571 7.282 -2.057 1.00 0.00 C ATOM 1600 OH TYR A 99 6.688 7.048 -1.318 1.00 0.00 O ATOM 0 H TYR A 99 3.422 6.310 -5.385 1.00 0.00 H new ATOM 0 HA TYR A 99 0.675 6.303 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.279 8.721 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.289 8.517 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.198 7.351 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.625 8.119 -5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.282 6.917 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.700 7.683 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 99 6.431 6.704 -0.437 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.465 6.546 -6.504 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.250 6.806 -7.699 1.00 0.00 C ATOM 1612 C ASP A 100 -2.514 7.578 -7.316 1.00 0.00 C ATOM 1613 O ASP A 100 -3.565 6.982 -7.088 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.679 5.501 -8.371 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.391 5.420 -9.871 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.007 4.625 -10.598 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.480 6.230 -10.296 1.00 0.00 O ATOM 0 H ASP A 100 -0.888 5.885 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.633 7.381 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.175 4.672 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.749 5.364 -8.214 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.370 8.894 -7.256 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.486 9.754 -6.904 1.00 0.00 C ATOM 1625 C ASN A 101 -4.166 10.250 -8.182 1.00 0.00 C ATOM 1626 O ASN A 101 -3.827 9.810 -9.280 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.013 10.978 -6.116 1.00 0.00 C ATOM 1628 CG ASN A 101 -1.837 11.661 -6.820 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -1.951 12.167 -7.925 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -0.707 11.647 -6.120 1.00 0.00 N ATOM 0 H ASN A 101 -1.496 9.385 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.176 9.175 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.836 11.684 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.715 10.676 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.135 12.077 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -0.682 11.206 -5.201 1.00 0.00 H new ATOM 1637 N SER A 102 -5.113 11.157 -7.997 1.00 0.00 N ATOM 1638 CA SER A 102 -5.843 11.716 -9.122 1.00 0.00 C ATOM 1639 C SER A 102 -5.142 12.977 -9.627 1.00 0.00 C ATOM 1640 O SER A 102 -5.728 13.764 -10.369 1.00 0.00 O ATOM 1641 CB SER A 102 -7.291 12.030 -8.738 1.00 0.00 C ATOM 1642 OG SER A 102 -7.545 11.774 -7.360 1.00 0.00 O ATOM 0 H SER A 102 -5.392 11.519 -7.085 1.00 0.00 H new ATOM 0 HA SER A 102 -5.860 10.974 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.506 13.076 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.966 11.431 -9.349 1.00 0.00 H new ATOM 0 HG SER A 102 -8.253 11.101 -7.277 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.896 13.132 -9.205 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.108 14.285 -9.604 1.00 0.00 C ATOM 1650 C LEU A 103 -2.126 13.872 -10.704 1.00 0.00 C ATOM 1651 O LEU A 103 -1.288 14.667 -11.124 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.434 14.922 -8.388 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.969 16.370 -8.559 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.911 17.337 -7.839 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.518 16.537 -8.103 1.00 0.00 C ATOM 0 H LEU A 103 -3.412 12.477 -8.590 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.752 15.058 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.129 14.881 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.571 14.314 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.004 16.617 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.558 18.359 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.915 17.242 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.932 17.100 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.212 17.575 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.434 16.265 -7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.127 15.890 -8.698 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.265 12.628 -11.138 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.402 12.099 -12.181 1.00 0.00 C ATOM 1669 C VAL A 104 -2.257 11.391 -13.234 1.00 0.00 C ATOM 1670 O VAL A 104 -1.727 10.788 -14.166 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.337 11.188 -11.565 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.088 10.098 -12.551 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.870 11.999 -11.091 1.00 0.00 C ATOM 0 H VAL A 104 -2.962 11.971 -10.787 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.870 12.907 -12.684 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.776 10.700 -10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.845 9.465 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.778 9.492 -12.819 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.500 10.560 -13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.612 11.328 -10.658 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.309 12.527 -11.938 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.551 12.721 -10.339 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.566 11.490 -13.051 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.499 10.867 -13.975 1.00 0.00 C ATOM 1685 C GLU A 105 -5.852 11.580 -13.923 1.00 0.00 C ATOM 1686 O GLU A 105 -6.509 11.745 -14.950 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.654 9.374 -13.675 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.292 8.677 -13.648 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.456 7.161 -13.515 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -4.469 6.604 -13.966 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -2.483 6.558 -12.919 1.00 0.00 O ATOM 0 H GLU A 105 -4.002 11.992 -12.277 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.099 10.961 -14.984 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.153 9.242 -12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.289 8.911 -14.431 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.743 8.909 -14.560 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.701 9.057 -12.815 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.227 11.982 -12.717 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.490 12.672 -12.520 1.00 0.00 C ATOM 1701 C GLY A 106 -8.640 11.678 -12.352 1.00 0.00 C ATOM 1702 O GLY A 106 -9.779 12.074 -12.111 1.00 0.00 O ATOM 0 H GLY A 106 -5.679 11.843 -11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.426 13.311 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.689 13.323 -13.371 1.00 0.00 H new ATOM 1706 N MET A 107 -8.302 10.404 -12.488 1.00 0.00 N ATOM 1707 CA MET A 107 -9.291 9.348 -12.356 1.00 0.00 C ATOM 1708 C MET A 107 -8.867 8.328 -11.298 1.00 0.00 C ATOM 1709 O MET A 107 -9.281 7.171 -11.345 1.00 0.00 O ATOM 1710 CB MET A 107 -9.469 8.643 -13.703 1.00 0.00 C ATOM 1711 CG MET A 107 -9.834 9.644 -14.801 1.00 0.00 C ATOM 1712 SD MET A 107 -8.893 9.298 -16.278 1.00 0.00 S ATOM 1713 CE MET A 107 -7.239 9.336 -15.607 1.00 0.00 C ATOM 0 H MET A 107 -7.356 10.079 -12.688 1.00 0.00 H new ATOM 0 HA MET A 107 -10.234 9.797 -12.043 1.00 0.00 H new ATOM 0 HB2 MET A 107 -8.549 8.124 -13.970 1.00 0.00 H new ATOM 0 HB3 MET A 107 -10.249 7.886 -13.621 1.00 0.00 H new ATOM 0 HG2 MET A 107 -10.901 9.586 -15.017 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.632 10.660 -14.461 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.635 10.050 -16.167 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.278 9.637 -14.560 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.792 8.345 -15.683 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.047 8.796 -10.367 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.563 7.938 -9.298 1.00 0.00 C ATOM 1725 C ARG A 108 -8.107 8.413 -7.949 1.00 0.00 C ATOM 1726 O ARG A 108 -9.306 8.326 -7.695 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.034 7.930 -9.250 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.476 6.595 -9.750 1.00 0.00 C ATOM 1729 CD ARG A 108 -4.819 6.755 -11.122 1.00 0.00 C ATOM 1730 NE ARG A 108 -4.544 5.425 -11.710 1.00 0.00 N ATOM 1731 CZ ARG A 108 -5.501 4.570 -12.126 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -6.806 4.898 -12.023 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -5.142 3.406 -12.636 1.00 0.00 N ATOM 0 H ARG A 108 -7.706 9.757 -10.331 1.00 0.00 H new ATOM 0 HA ARG A 108 -7.915 6.926 -9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.643 8.743 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.698 8.109 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.747 6.211 -9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.279 5.861 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.472 7.326 -11.783 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.891 7.318 -11.026 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.570 5.137 -11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.076 5.799 -11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.523 4.245 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.154 3.165 -12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.853 2.748 -12.955 1.00 0.00 H new