USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 35 GLN : amide:sc= -0.648 K(o=-0.65,f=-4) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 166:sc= 0.00162 (180deg=0) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -0.559 F(o=-2.9,f=-0.56) USER MOD Set 2.2: A 24 SER OG : rot -171:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -1.01 F(o=-2.6!,f=-1) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 168:sc= -7.62! (180deg=-7.97!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.96 USER MOD Single : A 30 GLN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 36 MET CE :methyl -133:sc= -0.358 (180deg=-0.948) USER MOD Single : A 37 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.82) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -47:sc= 0.0667 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc=-0.00529 X(o=-0.0053,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 57 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.5!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= -0.25 (180deg=-1.5!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.165 -10.235 -3.970 1.00 0.00 N ATOM 102 CA LEU A 3 3.745 -9.133 -3.111 1.00 0.00 C ATOM 103 C LEU A 3 4.823 -8.055 -3.042 1.00 0.00 C ATOM 104 O LEU A 3 4.541 -6.903 -2.714 1.00 0.00 O ATOM 105 CB LEU A 3 3.430 -9.647 -1.705 1.00 0.00 C ATOM 106 CG LEU A 3 2.362 -8.873 -0.932 1.00 0.00 C ATOM 107 CD1 LEU A 3 2.654 -7.381 -0.965 1.00 0.00 C ATOM 108 CD2 LEU A 3 0.979 -9.160 -1.499 1.00 0.00 C ATOM 0 HA LEU A 3 2.845 -8.693 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.112 -10.687 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.351 -9.638 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 3 2.383 -9.203 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.883 -6.847 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.626 -7.190 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.662 -7.035 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.232 -8.600 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.945 -8.859 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.768 -10.227 -1.421 1.00 0.00 H new ATOM 120 N GLN A 4 6.057 -8.439 -3.354 1.00 0.00 N ATOM 121 CA GLN A 4 7.176 -7.505 -3.328 1.00 0.00 C ATOM 122 C GLN A 4 7.019 -6.437 -4.406 1.00 0.00 C ATOM 123 O GLN A 4 6.955 -5.245 -4.107 1.00 0.00 O ATOM 124 CB GLN A 4 8.496 -8.253 -3.523 1.00 0.00 C ATOM 125 CG GLN A 4 9.068 -8.822 -2.235 1.00 0.00 C ATOM 126 CD GLN A 4 7.996 -9.360 -1.308 1.00 0.00 C ATOM 127 OE1 GLN A 4 7.184 -10.281 -1.812 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 7.898 -8.951 -0.150 1.00 0.00 N flip ATOM 0 H GLN A 4 6.307 -9.389 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 4 7.185 -7.014 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.342 -9.066 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.226 -7.576 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.770 -9.621 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.633 -8.046 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.544 -8.242 0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.171 -9.322 0.462 1.00 0.00 H new ATOM 137 N MET A 5 6.958 -6.873 -5.660 1.00 0.00 N ATOM 138 CA MET A 5 6.807 -5.954 -6.782 1.00 0.00 C ATOM 139 C MET A 5 5.696 -4.945 -6.513 1.00 0.00 C ATOM 140 O MET A 5 5.628 -3.897 -7.156 1.00 0.00 O ATOM 141 CB MET A 5 6.509 -6.729 -8.067 1.00 0.00 C ATOM 142 CG MET A 5 7.693 -7.529 -8.583 1.00 0.00 C ATOM 143 SD MET A 5 9.053 -6.481 -9.134 1.00 0.00 S ATOM 144 CE MET A 5 9.969 -7.627 -10.161 1.00 0.00 C ATOM 0 H MET A 5 7.011 -7.857 -5.925 1.00 0.00 H new ATOM 0 HA MET A 5 7.744 -5.411 -6.903 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.674 -7.406 -7.888 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.191 -6.028 -8.839 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.048 -8.194 -7.796 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.367 -8.160 -9.410 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.843 -7.125 -10.576 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.290 -8.478 -9.560 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.332 -7.977 -10.973 1.00 0.00 H new ATOM 154 N ILE A 6 4.828 -5.268 -5.560 1.00 0.00 N ATOM 155 CA ILE A 6 3.720 -4.388 -5.207 1.00 0.00 C ATOM 156 C ILE A 6 4.123 -3.413 -4.106 1.00 0.00 C ATOM 157 O ILE A 6 4.177 -2.203 -4.323 1.00 0.00 O ATOM 158 CB ILE A 6 2.490 -5.191 -4.742 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.464 -6.563 -5.418 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.212 -4.422 -5.042 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.944 -6.539 -6.853 1.00 0.00 C ATOM 0 H ILE A 6 4.870 -6.132 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 6 3.460 -3.830 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 6 2.557 -5.340 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.086 -7.252 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.447 -6.954 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.352 -5.002 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.231 -3.466 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.137 -4.246 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.898 -7.546 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.308 -5.875 -7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.972 -6.179 -6.887 1.00 0.00 H new ATOM 173 N VAL A 7 4.406 -3.949 -2.923 1.00 0.00 N ATOM 174 CA VAL A 7 4.807 -3.127 -1.787 1.00 0.00 C ATOM 175 C VAL A 7 6.027 -2.277 -2.127 1.00 0.00 C ATOM 176 O VAL A 7 6.098 -1.104 -1.764 1.00 0.00 O ATOM 177 CB VAL A 7 5.125 -3.991 -0.553 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.851 -4.592 0.021 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.124 -5.081 -0.909 1.00 0.00 C ATOM 0 H VAL A 7 4.365 -4.949 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 7 3.965 -2.474 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 7 5.573 -3.353 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.096 -5.199 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.172 -3.792 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.371 -5.216 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.337 -5.682 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.705 -5.718 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.046 -4.626 -1.269 1.00 0.00 H new ATOM 189 N GLU A 8 6.983 -2.879 -2.827 1.00 0.00 N ATOM 190 CA GLU A 8 8.201 -2.177 -3.215 1.00 0.00 C ATOM 191 C GLU A 8 7.870 -0.870 -3.931 1.00 0.00 C ATOM 192 O GLU A 8 8.495 0.160 -3.682 1.00 0.00 O ATOM 193 CB GLU A 8 9.060 -3.063 -4.120 1.00 0.00 C ATOM 194 CG GLU A 8 9.693 -4.239 -3.396 1.00 0.00 C ATOM 195 CD GLU A 8 11.034 -4.634 -3.984 1.00 0.00 C ATOM 196 OE1 GLU A 8 11.131 -4.728 -5.226 1.00 0.00 O ATOM 197 OE2 GLU A 8 11.985 -4.849 -3.204 1.00 0.00 O ATOM 0 H GLU A 8 6.938 -3.850 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 8 8.761 -1.944 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.444 -3.439 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.847 -2.456 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.822 -3.986 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.017 -5.093 -3.438 1.00 0.00 H new ATOM 204 N ASN A 9 6.884 -0.922 -4.820 1.00 0.00 N ATOM 205 CA ASN A 9 6.471 0.257 -5.573 1.00 0.00 C ATOM 206 C ASN A 9 6.146 1.415 -4.635 1.00 0.00 C ATOM 207 O ASN A 9 6.356 2.580 -4.973 1.00 0.00 O ATOM 208 CB ASN A 9 5.254 -0.068 -6.441 1.00 0.00 C ATOM 209 CG ASN A 9 5.636 -0.737 -7.747 1.00 0.00 C ATOM 210 OD1 ASN A 9 6.690 -0.454 -8.317 1.00 0.00 O ATOM 211 ND2 ASN A 9 4.780 -1.632 -8.226 1.00 0.00 N ATOM 0 H ASN A 9 6.356 -1.767 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 9 7.299 0.555 -6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.579 -0.720 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.707 0.851 -6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.984 -2.116 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.918 -1.835 -7.720 1.00 0.00 H new ATOM 218 N VAL A 10 5.634 1.086 -3.453 1.00 0.00 N ATOM 219 CA VAL A 10 5.281 2.098 -2.464 1.00 0.00 C ATOM 220 C VAL A 10 6.479 2.980 -2.130 1.00 0.00 C ATOM 221 O VAL A 10 6.351 4.198 -1.999 1.00 0.00 O ATOM 222 CB VAL A 10 4.752 1.457 -1.168 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.288 2.527 -0.192 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.626 0.482 -1.478 1.00 0.00 C ATOM 0 H VAL A 10 5.454 0.127 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 10 4.494 2.710 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 10 5.565 0.902 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.918 2.054 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.124 3.182 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.489 3.113 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.264 0.038 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.810 1.012 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.996 -0.304 -2.136 1.00 0.00 H new ATOM 234 N LYS A 11 7.645 2.358 -1.993 1.00 0.00 N ATOM 235 CA LYS A 11 8.868 3.084 -1.675 1.00 0.00 C ATOM 236 C LYS A 11 9.125 4.189 -2.695 1.00 0.00 C ATOM 237 O LYS A 11 9.667 5.244 -2.360 1.00 0.00 O ATOM 238 CB LYS A 11 10.060 2.125 -1.635 1.00 0.00 C ATOM 239 CG LYS A 11 9.862 0.949 -0.695 1.00 0.00 C ATOM 240 CD LYS A 11 9.501 1.410 0.707 1.00 0.00 C ATOM 241 CE LYS A 11 9.641 0.282 1.718 1.00 0.00 C ATOM 242 NZ LYS A 11 8.655 -0.807 1.474 1.00 0.00 N ATOM 0 H LYS A 11 7.768 1.351 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 11 8.745 3.541 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.247 1.748 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.950 2.677 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.074 0.303 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.774 0.353 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.145 2.240 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.477 1.783 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.651 -0.125 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.504 0.677 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.783 -1.556 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.691 -0.424 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.802 -1.202 0.523 1.00 0.00 H new ATOM 256 N LEU A 12 8.733 3.942 -3.940 1.00 0.00 N ATOM 257 CA LEU A 12 8.920 4.916 -5.009 1.00 0.00 C ATOM 258 C LEU A 12 7.997 6.116 -4.819 1.00 0.00 C ATOM 259 O LEU A 12 8.408 7.262 -4.999 1.00 0.00 O ATOM 260 CB LEU A 12 8.658 4.267 -6.369 1.00 0.00 C ATOM 261 CG LEU A 12 9.237 4.995 -7.583 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.382 6.202 -7.939 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.674 5.417 -7.316 1.00 0.00 C ATOM 0 H LEU A 12 8.283 3.075 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 12 9.952 5.265 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.063 3.255 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.580 4.177 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 12 9.232 4.310 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.809 6.708 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.369 5.874 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.354 6.890 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.070 5.933 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.703 6.086 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.280 4.535 -7.110 1.00 0.00 H new ATOM 275 N ALA A 13 6.749 5.844 -4.452 1.00 0.00 N ATOM 276 CA ALA A 13 5.769 6.901 -4.234 1.00 0.00 C ATOM 277 C ALA A 13 6.068 7.669 -2.951 1.00 0.00 C ATOM 278 O ALA A 13 5.746 8.852 -2.835 1.00 0.00 O ATOM 279 CB ALA A 13 4.365 6.318 -4.188 1.00 0.00 C ATOM 0 H ALA A 13 6.393 4.901 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 13 5.832 7.600 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.644 7.119 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.147 5.820 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.297 5.597 -3.374 1.00 0.00 H new ATOM 285 N ARG A 14 6.683 6.989 -1.989 1.00 0.00 N ATOM 286 CA ARG A 14 7.023 7.608 -0.713 1.00 0.00 C ATOM 287 C ARG A 14 8.095 8.679 -0.897 1.00 0.00 C ATOM 288 O ARG A 14 8.064 9.719 -0.240 1.00 0.00 O ATOM 289 CB ARG A 14 7.509 6.549 0.278 1.00 0.00 C ATOM 290 CG ARG A 14 6.397 5.948 1.122 1.00 0.00 C ATOM 291 CD ARG A 14 5.878 6.942 2.150 1.00 0.00 C ATOM 292 NE ARG A 14 6.819 7.131 3.251 1.00 0.00 N ATOM 293 CZ ARG A 14 7.061 6.210 4.177 1.00 0.00 C ATOM 294 NH1 ARG A 14 6.434 5.042 4.135 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.931 6.456 5.148 1.00 0.00 N ATOM 0 H ARG A 14 6.956 6.009 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 14 6.125 8.082 -0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.008 5.751 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.253 6.995 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.579 5.631 0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.765 5.057 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.690 7.900 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.924 6.591 2.544 1.00 0.00 H new ATOM 0 HE ARG A 14 7.318 8.019 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.764 4.849 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.622 4.336 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.415 7.353 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.116 5.748 5.859 1.00 0.00 H new ATOM 309 N GLU A 15 9.040 8.415 -1.793 1.00 0.00 N ATOM 310 CA GLU A 15 10.122 9.355 -2.061 1.00 0.00 C ATOM 311 C GLU A 15 9.619 10.547 -2.870 1.00 0.00 C ATOM 312 O GLU A 15 9.952 11.695 -2.578 1.00 0.00 O ATOM 313 CB GLU A 15 11.259 8.659 -2.811 1.00 0.00 C ATOM 314 CG GLU A 15 12.571 9.426 -2.776 1.00 0.00 C ATOM 315 CD GLU A 15 13.777 8.528 -2.971 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.751 7.694 -3.900 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.746 8.658 -2.194 1.00 0.00 O ATOM 0 H GLU A 15 9.079 7.558 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 15 10.497 9.719 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.415 7.670 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.962 8.512 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.562 10.190 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.659 9.944 -1.821 1.00 0.00 H new ATOM 324 N TYR A 16 8.815 10.265 -3.889 1.00 0.00 N ATOM 325 CA TYR A 16 8.267 11.312 -4.744 1.00 0.00 C ATOM 326 C TYR A 16 7.476 12.326 -3.924 1.00 0.00 C ATOM 327 O TYR A 16 7.526 13.528 -4.186 1.00 0.00 O ATOM 328 CB TYR A 16 7.371 10.702 -5.823 1.00 0.00 C ATOM 329 CG TYR A 16 8.139 10.058 -6.955 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.278 9.301 -6.706 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.726 10.205 -8.273 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.983 8.712 -7.737 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.424 9.618 -9.311 1.00 0.00 C ATOM 334 CZ TYR A 16 9.552 8.873 -9.038 1.00 0.00 C ATOM 335 OH TYR A 16 10.251 8.286 -10.068 1.00 0.00 O ATOM 0 H TYR A 16 8.528 9.320 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 16 9.100 11.828 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.722 9.956 -5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.725 11.480 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.617 9.171 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.844 10.789 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.867 8.128 -7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.088 9.742 -10.330 1.00 0.00 H new ATOM 0 HH TYR A 16 9.815 8.496 -10.920 1.00 0.00 H new ATOM 345 N ALA A 17 6.747 11.833 -2.928 1.00 0.00 N ATOM 346 CA ALA A 17 5.948 12.695 -2.066 1.00 0.00 C ATOM 347 C ALA A 17 6.820 13.728 -1.362 1.00 0.00 C ATOM 348 O ALA A 17 6.405 14.870 -1.157 1.00 0.00 O ATOM 349 CB ALA A 17 5.186 11.861 -1.047 1.00 0.00 C ATOM 0 H ALA A 17 6.693 10.841 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 17 5.232 13.229 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.593 12.517 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.526 11.166 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.892 11.301 -0.434 1.00 0.00 H new ATOM 355 N LEU A 18 8.029 13.322 -0.993 1.00 0.00 N ATOM 356 CA LEU A 18 8.961 14.213 -0.310 1.00 0.00 C ATOM 357 C LEU A 18 9.554 15.229 -1.281 1.00 0.00 C ATOM 358 O LEU A 18 9.494 16.437 -1.047 1.00 0.00 O ATOM 359 CB LEU A 18 10.081 13.406 0.348 1.00 0.00 C ATOM 360 CG LEU A 18 9.651 12.134 1.080 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.796 11.587 1.917 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.433 12.406 1.951 1.00 0.00 C ATOM 0 H LEU A 18 8.388 12.381 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 18 8.410 14.752 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.804 13.132 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.599 14.052 1.057 1.00 0.00 H new ATOM 0 HG LEU A 18 9.381 11.384 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.471 10.682 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.641 11.353 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.098 12.333 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.141 11.490 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.676 13.173 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.609 12.751 1.327 1.00 0.00 H new ATOM 374 N LEU A 19 10.124 14.732 -2.374 1.00 0.00 N ATOM 375 CA LEU A 19 10.726 15.596 -3.383 1.00 0.00 C ATOM 376 C LEU A 19 9.793 16.749 -3.740 1.00 0.00 C ATOM 377 O LEU A 19 10.242 17.846 -4.068 1.00 0.00 O ATOM 378 CB LEU A 19 11.062 14.789 -4.638 1.00 0.00 C ATOM 379 CG LEU A 19 11.891 13.523 -4.420 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.411 12.990 -5.746 1.00 0.00 C ATOM 381 CD2 LEU A 19 13.044 13.798 -3.465 1.00 0.00 C ATOM 0 H LEU A 19 10.182 13.735 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 19 11.645 16.012 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.129 14.508 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.601 15.437 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 19 11.249 12.764 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.999 12.089 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.570 12.754 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.037 13.745 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.623 12.886 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.686 14.573 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.650 14.132 -2.505 1.00 0.00 H new ATOM 393 N GLY A 20 8.490 16.492 -3.672 1.00 0.00 N ATOM 394 CA GLY A 20 7.514 17.518 -3.989 1.00 0.00 C ATOM 395 C GLY A 20 6.458 17.032 -4.962 1.00 0.00 C ATOM 396 O GLY A 20 5.470 17.722 -5.211 1.00 0.00 O ATOM 0 H GLY A 20 8.093 15.592 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.031 17.852 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.025 18.382 -4.414 1.00 0.00 H new ATOM 400 N ASN A 21 6.668 15.843 -5.517 1.00 0.00 N ATOM 401 CA ASN A 21 5.728 15.267 -6.471 1.00 0.00 C ATOM 402 C ASN A 21 4.800 14.269 -5.785 1.00 0.00 C ATOM 403 O ASN A 21 5.037 13.061 -5.818 1.00 0.00 O ATOM 404 CB ASN A 21 6.482 14.580 -7.611 1.00 0.00 C ATOM 405 CG ASN A 21 5.693 14.576 -8.906 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.375 14.700 -8.797 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.262 14.464 -9.992 1.00 0.00 N flip ATOM 0 H ASN A 21 7.482 15.259 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 21 5.123 16.076 -6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.434 15.086 -7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.711 13.553 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.277 14.371 -10.029 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.718 14.464 -10.855 1.00 0.00 H new ATOM 414 N TYR A 22 3.743 14.781 -5.165 1.00 0.00 N ATOM 415 CA TYR A 22 2.780 13.935 -4.470 1.00 0.00 C ATOM 416 C TYR A 22 1.790 13.316 -5.452 1.00 0.00 C ATOM 417 O TYR A 22 1.440 12.141 -5.341 1.00 0.00 O ATOM 418 CB TYR A 22 2.028 14.745 -3.413 1.00 0.00 C ATOM 419 CG TYR A 22 2.895 15.752 -2.691 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.199 16.978 -3.271 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.411 15.478 -1.431 1.00 0.00 C ATOM 422 CE1 TYR A 22 3.991 17.901 -2.616 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.202 16.395 -0.768 1.00 0.00 C ATOM 424 CZ TYR A 22 4.490 17.605 -1.365 1.00 0.00 C ATOM 425 OH TYR A 22 5.280 18.521 -0.708 1.00 0.00 O ATOM 0 H TYR A 22 3.531 15.778 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 22 3.329 13.131 -3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.199 15.268 -3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.596 14.061 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.809 17.213 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.190 14.531 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.218 18.849 -3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.593 16.166 0.212 1.00 0.00 H new ATOM 0 HH TYR A 22 5.548 18.158 0.162 1.00 0.00 H new ATOM 435 N ASP A 23 1.342 14.116 -6.414 1.00 0.00 N ATOM 436 CA ASP A 23 0.394 13.648 -7.418 1.00 0.00 C ATOM 437 C ASP A 23 0.911 12.391 -8.110 1.00 0.00 C ATOM 438 O ASP A 23 0.143 11.484 -8.428 1.00 0.00 O ATOM 439 CB ASP A 23 0.131 14.744 -8.452 1.00 0.00 C ATOM 440 CG ASP A 23 -1.253 14.643 -9.063 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.507 13.668 -9.799 1.00 0.00 O ATOM 442 OD2 ASP A 23 -2.083 15.541 -8.804 1.00 0.00 O ATOM 0 H ASP A 23 1.620 15.092 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.541 13.404 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.246 15.720 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.879 14.681 -9.242 1.00 0.00 H new ATOM 447 N SER A 24 2.219 12.346 -8.343 1.00 0.00 N ATOM 448 CA SER A 24 2.839 11.203 -9.003 1.00 0.00 C ATOM 449 C SER A 24 2.847 9.984 -8.084 1.00 0.00 C ATOM 450 O SER A 24 2.802 8.845 -8.547 1.00 0.00 O ATOM 451 CB SER A 24 4.269 11.546 -9.427 1.00 0.00 C ATOM 452 OG SER A 24 4.279 12.275 -10.641 1.00 0.00 O ATOM 0 H SER A 24 2.870 13.088 -8.085 1.00 0.00 H new ATOM 0 HA SER A 24 2.252 10.964 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.754 12.130 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.847 10.629 -9.545 1.00 0.00 H new ATOM 0 HG SER A 24 5.200 12.359 -10.964 1.00 0.00 H new ATOM 458 N ALA A 25 2.906 10.234 -6.780 1.00 0.00 N ATOM 459 CA ALA A 25 2.918 9.159 -5.796 1.00 0.00 C ATOM 460 C ALA A 25 1.541 8.515 -5.670 1.00 0.00 C ATOM 461 O ALA A 25 1.428 7.309 -5.453 1.00 0.00 O ATOM 462 CB ALA A 25 3.382 9.685 -4.446 1.00 0.00 C ATOM 0 H ALA A 25 2.946 11.172 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 25 3.618 8.396 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.386 8.872 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.389 10.092 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.704 10.469 -4.108 1.00 0.00 H new ATOM 468 N MET A 26 0.498 9.327 -5.808 1.00 0.00 N ATOM 469 CA MET A 26 -0.871 8.834 -5.710 1.00 0.00 C ATOM 470 C MET A 26 -1.090 7.647 -6.643 1.00 0.00 C ATOM 471 O MET A 26 -1.555 6.589 -6.219 1.00 0.00 O ATOM 472 CB MET A 26 -1.862 9.950 -6.044 1.00 0.00 C ATOM 473 CG MET A 26 -1.794 11.130 -5.088 1.00 0.00 C ATOM 474 SD MET A 26 -1.755 10.621 -3.358 1.00 0.00 S ATOM 475 CE MET A 26 0.004 10.395 -3.111 1.00 0.00 C ATOM 0 H MET A 26 0.574 10.328 -5.988 1.00 0.00 H new ATOM 0 HA MET A 26 -1.039 8.503 -4.685 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.671 10.303 -7.058 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.873 9.542 -6.033 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.905 11.721 -5.309 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.656 11.777 -5.253 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.211 10.289 -2.046 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.333 9.498 -3.636 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.540 11.260 -3.501 1.00 0.00 H new ATOM 485 N VAL A 27 -0.753 7.831 -7.915 1.00 0.00 N ATOM 486 CA VAL A 27 -0.912 6.775 -8.908 1.00 0.00 C ATOM 487 C VAL A 27 -0.234 5.487 -8.454 1.00 0.00 C ATOM 488 O VAL A 27 -0.721 4.389 -8.724 1.00 0.00 O ATOM 489 CB VAL A 27 -0.332 7.194 -10.272 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.681 8.643 -10.578 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.174 6.984 -10.297 1.00 0.00 C ATOM 0 H VAL A 27 -0.368 8.701 -8.283 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.983 6.601 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.777 6.567 -11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.263 8.921 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.765 8.759 -10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.266 9.289 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.567 7.285 -11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.638 7.585 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.397 5.931 -10.126 1.00 0.00 H new ATOM 501 N TYR A 28 0.891 5.629 -7.763 1.00 0.00 N ATOM 502 CA TYR A 28 1.637 4.477 -7.272 1.00 0.00 C ATOM 503 C TYR A 28 0.894 3.792 -6.130 1.00 0.00 C ATOM 504 O TYR A 28 0.674 2.581 -6.155 1.00 0.00 O ATOM 505 CB TYR A 28 3.029 4.906 -6.805 1.00 0.00 C ATOM 506 CG TYR A 28 4.075 4.859 -7.896 1.00 0.00 C ATOM 507 CD1 TYR A 28 4.168 5.873 -8.842 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.972 3.801 -7.981 1.00 0.00 C ATOM 509 CE1 TYR A 28 5.121 5.834 -9.840 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.930 3.754 -8.975 1.00 0.00 C ATOM 511 CZ TYR A 28 6.000 4.773 -9.903 1.00 0.00 C ATOM 512 OH TYR A 28 6.952 4.731 -10.896 1.00 0.00 O ATOM 0 H TYR A 28 1.307 6.531 -7.530 1.00 0.00 H new ATOM 0 HA TYR A 28 1.739 3.766 -8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.974 5.920 -6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.343 4.261 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.483 6.706 -8.795 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.919 3.001 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.178 6.630 -10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.620 2.925 -9.026 1.00 0.00 H new ATOM 0 HH TYR A 28 7.491 3.919 -10.798 1.00 0.00 H new ATOM 522 N TYR A 29 0.509 4.577 -5.129 1.00 0.00 N ATOM 523 CA TYR A 29 -0.208 4.048 -3.975 1.00 0.00 C ATOM 524 C TYR A 29 -1.461 3.294 -4.412 1.00 0.00 C ATOM 525 O TYR A 29 -1.649 2.129 -4.064 1.00 0.00 O ATOM 526 CB TYR A 29 -0.588 5.181 -3.021 1.00 0.00 C ATOM 527 CG TYR A 29 0.506 5.538 -2.040 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.945 4.621 -1.094 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.100 6.794 -2.060 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.943 4.943 -0.195 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.101 7.125 -1.166 1.00 0.00 C ATOM 532 CZ TYR A 29 2.519 6.196 -0.236 1.00 0.00 C ATOM 533 OH TYR A 29 3.514 6.522 0.657 1.00 0.00 O ATOM 0 H TYR A 29 0.682 5.582 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 29 0.451 3.352 -3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.844 6.065 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.482 4.894 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.498 3.638 -1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.774 7.524 -2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.270 4.218 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.553 8.105 -1.196 1.00 0.00 H new ATOM 0 HH TYR A 29 3.813 7.441 0.493 1.00 0.00 H new ATOM 543 N GLN A 30 -2.314 3.969 -5.176 1.00 0.00 N ATOM 544 CA GLN A 30 -3.549 3.364 -5.660 1.00 0.00 C ATOM 545 C GLN A 30 -3.267 2.042 -6.366 1.00 0.00 C ATOM 546 O GLN A 30 -4.035 1.088 -6.250 1.00 0.00 O ATOM 547 CB GLN A 30 -4.271 4.319 -6.611 1.00 0.00 C ATOM 548 CG GLN A 30 -5.636 3.819 -7.056 1.00 0.00 C ATOM 549 CD GLN A 30 -6.695 3.985 -5.984 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.107 5.102 -5.669 1.00 0.00 O ATOM 551 NE2 GLN A 30 -7.143 2.871 -5.416 1.00 0.00 N ATOM 0 H GLN A 30 -2.172 4.935 -5.473 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.189 3.167 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.389 5.285 -6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.648 4.482 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.943 4.360 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.562 2.766 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.774 1.966 -5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.856 2.921 -4.688 1.00 0.00 H new ATOM 560 N GLY A 31 -2.159 1.993 -7.101 1.00 0.00 N ATOM 561 CA GLY A 31 -1.796 0.783 -7.815 1.00 0.00 C ATOM 562 C GLY A 31 -1.387 -0.340 -6.883 1.00 0.00 C ATOM 563 O GLY A 31 -1.818 -1.482 -7.049 1.00 0.00 O ATOM 0 H GLY A 31 -1.507 2.769 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.640 0.457 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.975 1.001 -8.499 1.00 0.00 H new ATOM 567 N VAL A 32 -0.552 -0.018 -5.901 1.00 0.00 N ATOM 568 CA VAL A 32 -0.084 -1.009 -4.939 1.00 0.00 C ATOM 569 C VAL A 32 -1.253 -1.657 -4.206 1.00 0.00 C ATOM 570 O VAL A 32 -1.323 -2.881 -4.085 1.00 0.00 O ATOM 571 CB VAL A 32 0.872 -0.382 -3.907 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.332 -1.427 -2.902 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.061 0.260 -4.604 1.00 0.00 C ATOM 0 H VAL A 32 -0.185 0.922 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 32 0.454 -1.770 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 32 0.335 0.396 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.007 -0.966 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.467 -1.835 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.853 -2.230 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.726 0.698 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.601 -0.497 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.709 1.040 -5.280 1.00 0.00 H new ATOM 583 N LEU A 33 -2.170 -0.829 -3.718 1.00 0.00 N ATOM 584 CA LEU A 33 -3.338 -1.322 -2.995 1.00 0.00 C ATOM 585 C LEU A 33 -4.218 -2.178 -3.901 1.00 0.00 C ATOM 586 O LEU A 33 -4.610 -3.286 -3.535 1.00 0.00 O ATOM 587 CB LEU A 33 -4.148 -0.150 -2.438 1.00 0.00 C ATOM 588 CG LEU A 33 -3.415 0.768 -1.459 1.00 0.00 C ATOM 589 CD1 LEU A 33 -4.018 2.164 -1.482 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.457 0.189 -0.052 1.00 0.00 C ATOM 0 H LEU A 33 -2.128 0.186 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.989 -1.941 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.500 0.452 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.031 -0.549 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.373 0.840 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.483 2.803 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.935 2.580 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.069 2.111 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.931 0.855 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.494 0.086 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.977 -0.789 -0.047 1.00 0.00 H new ATOM 602 N ASP A 34 -4.521 -1.657 -5.085 1.00 0.00 N ATOM 603 CA ASP A 34 -5.352 -2.375 -6.045 1.00 0.00 C ATOM 604 C ASP A 34 -4.757 -3.743 -6.362 1.00 0.00 C ATOM 605 O ASP A 34 -5.462 -4.752 -6.364 1.00 0.00 O ATOM 606 CB ASP A 34 -5.503 -1.560 -7.331 1.00 0.00 C ATOM 607 CG ASP A 34 -6.358 -0.324 -7.136 1.00 0.00 C ATOM 608 OD1 ASP A 34 -6.296 0.275 -6.041 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.090 0.045 -8.078 1.00 0.00 O ATOM 0 H ASP A 34 -4.204 -0.741 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.336 -2.521 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.517 -1.263 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.946 -2.187 -8.105 1.00 0.00 H new ATOM 614 N GLN A 35 -3.455 -3.769 -6.631 1.00 0.00 N ATOM 615 CA GLN A 35 -2.767 -5.014 -6.952 1.00 0.00 C ATOM 616 C GLN A 35 -2.644 -5.901 -5.718 1.00 0.00 C ATOM 617 O GLN A 35 -2.722 -7.126 -5.812 1.00 0.00 O ATOM 618 CB GLN A 35 -1.378 -4.720 -7.523 1.00 0.00 C ATOM 619 CG GLN A 35 -1.411 -3.972 -8.846 1.00 0.00 C ATOM 620 CD GLN A 35 -2.063 -4.775 -9.955 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.144 -4.429 -10.434 1.00 0.00 O ATOM 622 NE2 GLN A 35 -1.409 -5.854 -10.368 1.00 0.00 N ATOM 0 H GLN A 35 -2.856 -2.943 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.356 -5.543 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.813 -4.135 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.844 -5.660 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.952 -3.035 -8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.393 -3.715 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.516 -6.103 -9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.800 -6.434 -11.111 1.00 0.00 H new ATOM 631 N MET A 36 -2.452 -5.275 -4.561 1.00 0.00 N ATOM 632 CA MET A 36 -2.320 -6.010 -3.308 1.00 0.00 C ATOM 633 C MET A 36 -3.554 -6.868 -3.048 1.00 0.00 C ATOM 634 O MET A 36 -3.443 -8.058 -2.757 1.00 0.00 O ATOM 635 CB MET A 36 -2.105 -5.040 -2.144 1.00 0.00 C ATOM 636 CG MET A 36 -0.642 -4.732 -1.873 1.00 0.00 C ATOM 637 SD MET A 36 -0.411 -3.673 -0.432 1.00 0.00 S ATOM 638 CE MET A 36 -0.532 -4.872 0.893 1.00 0.00 C ATOM 0 H MET A 36 -2.384 -4.262 -4.465 1.00 0.00 H new ATOM 0 HA MET A 36 -1.454 -6.666 -3.390 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.631 -4.109 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.552 -5.461 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.100 -5.666 -1.724 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.208 -4.248 -2.748 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.198 -4.492 1.668 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.928 -5.809 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.457 -5.046 1.318 1.00 0.00 H new ATOM 648 N ASN A 37 -4.729 -6.256 -3.156 1.00 0.00 N ATOM 649 CA ASN A 37 -5.983 -6.965 -2.932 1.00 0.00 C ATOM 650 C ASN A 37 -6.070 -8.208 -3.812 1.00 0.00 C ATOM 651 O ASN A 37 -6.358 -9.305 -3.331 1.00 0.00 O ATOM 652 CB ASN A 37 -7.172 -6.044 -3.213 1.00 0.00 C ATOM 653 CG ASN A 37 -7.636 -5.305 -1.972 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.686 -5.872 -0.881 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.979 -4.032 -2.136 1.00 0.00 N ATOM 0 H ASN A 37 -4.839 -5.271 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.013 -7.277 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.895 -5.321 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.998 -6.633 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.300 -3.483 -1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.921 -3.603 -3.060 1.00 0.00 H new ATOM 662 N LYS A 38 -5.820 -8.030 -5.104 1.00 0.00 N ATOM 663 CA LYS A 38 -5.868 -9.136 -6.053 1.00 0.00 C ATOM 664 C LYS A 38 -5.006 -10.300 -5.575 1.00 0.00 C ATOM 665 O LYS A 38 -5.318 -11.463 -5.833 1.00 0.00 O ATOM 666 CB LYS A 38 -5.397 -8.672 -7.433 1.00 0.00 C ATOM 667 CG LYS A 38 -6.181 -7.490 -7.978 1.00 0.00 C ATOM 668 CD LYS A 38 -6.164 -7.462 -9.497 1.00 0.00 C ATOM 669 CE LYS A 38 -4.984 -6.663 -10.027 1.00 0.00 C ATOM 670 NZ LYS A 38 -4.892 -6.728 -11.512 1.00 0.00 N ATOM 0 H LYS A 38 -5.582 -7.129 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.901 -9.476 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.342 -8.402 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.476 -9.504 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.211 -7.542 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.758 -6.563 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.116 -8.481 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.094 -7.027 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.080 -5.623 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.061 -7.044 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.236 -5.996 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.542 -7.665 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.833 -6.569 -11.925 1.00 0.00 H new ATOM 684 N TYR A 39 -3.922 -9.981 -4.878 1.00 0.00 N ATOM 685 CA TYR A 39 -3.014 -11.000 -4.365 1.00 0.00 C ATOM 686 C TYR A 39 -3.638 -11.741 -3.186 1.00 0.00 C ATOM 687 O TYR A 39 -3.657 -12.972 -3.151 1.00 0.00 O ATOM 688 CB TYR A 39 -1.689 -10.366 -3.939 1.00 0.00 C ATOM 689 CG TYR A 39 -0.639 -11.374 -3.529 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.765 -12.097 -2.350 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.478 -11.604 -4.323 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.192 -13.018 -1.971 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.439 -12.525 -3.953 1.00 0.00 C ATOM 694 CZ TYR A 39 1.292 -13.229 -2.776 1.00 0.00 C ATOM 695 OH TYR A 39 2.247 -14.147 -2.404 1.00 0.00 O ATOM 0 H TYR A 39 -3.650 -9.024 -4.655 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.825 -11.717 -5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.302 -9.765 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.872 -9.686 -3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.626 -11.936 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.597 -11.054 -5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.080 -13.570 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.301 -12.693 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 39 2.955 -14.175 -3.081 1.00 0.00 H new ATOM 705 N LEU A 40 -4.149 -10.983 -2.222 1.00 0.00 N ATOM 706 CA LEU A 40 -4.775 -11.566 -1.041 1.00 0.00 C ATOM 707 C LEU A 40 -5.968 -12.434 -1.429 1.00 0.00 C ATOM 708 O LEU A 40 -6.179 -13.506 -0.861 1.00 0.00 O ATOM 709 CB LEU A 40 -5.224 -10.463 -0.081 1.00 0.00 C ATOM 710 CG LEU A 40 -4.314 -9.237 0.006 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.696 -8.372 1.196 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.855 -9.661 0.099 1.00 0.00 C ATOM 0 H LEU A 40 -4.142 -9.963 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.038 -12.196 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.219 -10.132 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.317 -10.893 0.916 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.443 -8.648 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.038 -7.505 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.728 -8.039 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.597 -8.951 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.222 -8.776 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.710 -10.273 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.587 -10.238 -0.786 1.00 0.00 H new ATOM 724 N TYR A 41 -6.742 -11.965 -2.401 1.00 0.00 N ATOM 725 CA TYR A 41 -7.914 -12.699 -2.865 1.00 0.00 C ATOM 726 C TYR A 41 -7.513 -14.042 -3.467 1.00 0.00 C ATOM 727 O TYR A 41 -8.349 -14.926 -3.653 1.00 0.00 O ATOM 728 CB TYR A 41 -8.682 -11.873 -3.899 1.00 0.00 C ATOM 729 CG TYR A 41 -10.175 -12.109 -3.874 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.725 -13.263 -4.418 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.036 -11.178 -3.305 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.089 -13.482 -4.398 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.401 -11.389 -3.280 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.923 -12.543 -3.828 1.00 0.00 C ATOM 735 OH TYR A 41 -14.282 -12.758 -3.805 1.00 0.00 O ATOM 0 H TYR A 41 -6.580 -11.081 -2.883 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.559 -12.885 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.487 -10.815 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.302 -12.107 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.075 -14.001 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.631 -10.274 -2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.500 -14.384 -4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.056 -10.655 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.725 -12.002 -3.367 1.00 0.00 H new ATOM 745 N SER A 42 -6.227 -14.187 -3.770 1.00 0.00 N ATOM 746 CA SER A 42 -5.713 -15.420 -4.354 1.00 0.00 C ATOM 747 C SER A 42 -5.043 -16.286 -3.291 1.00 0.00 C ATOM 748 O SER A 42 -4.418 -17.300 -3.604 1.00 0.00 O ATOM 749 CB SER A 42 -4.718 -15.104 -5.472 1.00 0.00 C ATOM 750 OG SER A 42 -4.590 -16.197 -6.365 1.00 0.00 O ATOM 0 H SER A 42 -5.522 -13.465 -3.621 1.00 0.00 H new ATOM 0 HA SER A 42 -6.554 -15.973 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.049 -14.221 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.745 -14.867 -5.041 1.00 0.00 H new ATOM 0 HG SER A 42 -4.478 -17.026 -5.854 1.00 0.00 H new ATOM 756 N VAL A 43 -5.176 -15.878 -2.033 1.00 0.00 N ATOM 757 CA VAL A 43 -4.585 -16.616 -0.923 1.00 0.00 C ATOM 758 C VAL A 43 -5.537 -17.690 -0.409 1.00 0.00 C ATOM 759 O VAL A 43 -6.754 -17.509 -0.408 1.00 0.00 O ATOM 760 CB VAL A 43 -4.212 -15.677 0.239 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.453 -16.437 1.317 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.395 -14.499 -0.269 1.00 0.00 C ATOM 0 H VAL A 43 -5.688 -15.040 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.680 -17.089 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.131 -15.290 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.198 -15.757 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.077 -17.244 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.540 -16.855 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.140 -13.846 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.480 -14.865 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.978 -13.941 -1.002 1.00 0.00 H new ATOM 772 N LYS A 44 -4.973 -18.811 0.028 1.00 0.00 N ATOM 773 CA LYS A 44 -5.770 -19.917 0.548 1.00 0.00 C ATOM 774 C LYS A 44 -5.671 -19.991 2.068 1.00 0.00 C ATOM 775 O LYS A 44 -6.581 -20.484 2.735 1.00 0.00 O ATOM 776 CB LYS A 44 -5.309 -21.239 -0.069 1.00 0.00 C ATOM 777 CG LYS A 44 -5.689 -21.393 -1.532 1.00 0.00 C ATOM 778 CD LYS A 44 -4.622 -20.817 -2.448 1.00 0.00 C ATOM 779 CE LYS A 44 -3.390 -21.706 -2.497 1.00 0.00 C ATOM 780 NZ LYS A 44 -3.530 -22.794 -3.504 1.00 0.00 N ATOM 0 H LYS A 44 -3.967 -18.978 0.033 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.811 -19.741 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.226 -21.317 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.739 -22.064 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.836 -22.448 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.639 -20.891 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.028 -20.701 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.341 -19.823 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.515 -21.101 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.218 -22.142 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.669 -23.378 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.350 -23.387 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.669 -22.378 -4.447 1.00 0.00 H new ATOM 794 N ASP A 45 -4.563 -19.498 2.609 1.00 0.00 N ATOM 795 CA ASP A 45 -4.346 -19.507 4.051 1.00 0.00 C ATOM 796 C ASP A 45 -4.833 -18.206 4.682 1.00 0.00 C ATOM 797 O ASP A 45 -4.162 -17.176 4.604 1.00 0.00 O ATOM 798 CB ASP A 45 -2.864 -19.717 4.365 1.00 0.00 C ATOM 799 CG ASP A 45 -2.411 -21.139 4.096 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.109 -22.076 4.535 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.359 -21.313 3.446 1.00 0.00 O ATOM 0 H ASP A 45 -3.800 -19.087 2.071 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.919 -20.332 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.268 -19.029 3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.679 -19.471 5.411 1.00 0.00 H new ATOM 806 N THR A 46 -6.006 -18.258 5.305 1.00 0.00 N ATOM 807 CA THR A 46 -6.584 -17.084 5.946 1.00 0.00 C ATOM 808 C THR A 46 -5.574 -16.406 6.865 1.00 0.00 C ATOM 809 O THR A 46 -5.605 -15.189 7.048 1.00 0.00 O ATOM 810 CB THR A 46 -7.838 -17.450 6.762 1.00 0.00 C ATOM 811 OG1 THR A 46 -8.799 -18.095 5.920 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.457 -16.209 7.388 1.00 0.00 C ATOM 0 H THR A 46 -6.575 -19.102 5.379 1.00 0.00 H new ATOM 0 HA THR A 46 -6.866 -16.396 5.149 1.00 0.00 H new ATOM 0 HB THR A 46 -7.540 -18.130 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.593 -18.326 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.341 -16.492 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.733 -15.736 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.741 -15.509 6.603 1.00 0.00 H new ATOM 820 N HIS A 47 -4.678 -17.202 7.441 1.00 0.00 N ATOM 821 CA HIS A 47 -3.657 -16.677 8.341 1.00 0.00 C ATOM 822 C HIS A 47 -2.649 -15.822 7.579 1.00 0.00 C ATOM 823 O HIS A 47 -2.169 -14.808 8.088 1.00 0.00 O ATOM 824 CB HIS A 47 -2.936 -17.823 9.052 1.00 0.00 C ATOM 825 CG HIS A 47 -1.978 -17.365 10.108 1.00 0.00 C ATOM 826 ND1 HIS A 47 -0.839 -18.066 10.446 1.00 0.00 N ATOM 827 CD2 HIS A 47 -1.992 -16.268 10.901 1.00 0.00 C ATOM 828 CE1 HIS A 47 -0.196 -17.421 11.402 1.00 0.00 C ATOM 829 NE2 HIS A 47 -0.874 -16.326 11.696 1.00 0.00 N ATOM 0 H HIS A 47 -4.638 -18.212 7.301 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.150 -16.051 9.084 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.677 -18.481 9.506 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.394 -18.414 8.314 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.743 -15.492 10.907 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.728 -17.735 11.865 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.610 -15.636 12.399 1.00 0.00 H new ATOM 838 N LEU A 48 -2.331 -16.238 6.358 1.00 0.00 N ATOM 839 CA LEU A 48 -1.379 -15.510 5.526 1.00 0.00 C ATOM 840 C LEU A 48 -1.988 -14.209 5.013 1.00 0.00 C ATOM 841 O LEU A 48 -1.405 -13.136 5.169 1.00 0.00 O ATOM 842 CB LEU A 48 -0.935 -16.378 4.347 1.00 0.00 C ATOM 843 CG LEU A 48 0.269 -15.868 3.554 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.768 -16.937 2.595 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.090 -14.597 2.799 1.00 0.00 C ATOM 0 H LEU A 48 -2.718 -17.075 5.922 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.511 -15.267 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.702 -17.374 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.777 -16.484 3.663 1.00 0.00 H new ATOM 0 HG LEU A 48 1.070 -15.636 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.625 -16.556 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.065 -17.821 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.028 -17.201 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.778 -14.248 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.907 -14.803 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.399 -13.828 3.507 1.00 0.00 H new ATOM 857 N ARG A 49 -3.163 -14.312 4.402 1.00 0.00 N ATOM 858 CA ARG A 49 -3.851 -13.143 3.867 1.00 0.00 C ATOM 859 C ARG A 49 -4.245 -12.184 4.986 1.00 0.00 C ATOM 860 O ARG A 49 -4.217 -10.967 4.811 1.00 0.00 O ATOM 861 CB ARG A 49 -5.095 -13.571 3.086 1.00 0.00 C ATOM 862 CG ARG A 49 -5.924 -14.631 3.792 1.00 0.00 C ATOM 863 CD ARG A 49 -7.378 -14.588 3.351 1.00 0.00 C ATOM 864 NE ARG A 49 -8.109 -13.491 3.982 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.209 -12.952 3.471 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.704 -13.404 2.328 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.818 -11.957 4.104 1.00 0.00 N ATOM 0 H ARG A 49 -3.659 -15.193 4.265 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.167 -12.626 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.719 -12.696 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.789 -13.951 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.509 -15.617 3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.865 -14.482 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.425 -14.479 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.860 -15.534 3.598 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.754 -13.119 4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.240 -14.169 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.550 -12.987 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.441 -11.606 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.663 -11.544 3.710 1.00 0.00 H new ATOM 881 N GLN A 50 -4.611 -12.743 6.135 1.00 0.00 N ATOM 882 CA GLN A 50 -5.011 -11.937 7.283 1.00 0.00 C ATOM 883 C GLN A 50 -3.912 -10.951 7.666 1.00 0.00 C ATOM 884 O GLN A 50 -4.188 -9.854 8.150 1.00 0.00 O ATOM 885 CB GLN A 50 -5.343 -12.837 8.474 1.00 0.00 C ATOM 886 CG GLN A 50 -6.798 -13.275 8.519 1.00 0.00 C ATOM 887 CD GLN A 50 -7.711 -12.209 9.093 1.00 0.00 C ATOM 888 OE1 GLN A 50 -7.459 -11.676 10.174 1.00 0.00 O ATOM 889 NE2 GLN A 50 -8.779 -11.893 8.371 1.00 0.00 N ATOM 0 H GLN A 50 -4.639 -13.750 6.296 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.900 -11.371 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.707 -13.721 8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.103 -12.308 9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.129 -13.527 7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.882 -14.181 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.949 -12.360 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.430 -11.183 8.707 1.00 0.00 H new ATOM 898 N LYS A 51 -2.664 -11.350 7.445 1.00 0.00 N ATOM 899 CA LYS A 51 -1.521 -10.502 7.766 1.00 0.00 C ATOM 900 C LYS A 51 -1.428 -9.326 6.799 1.00 0.00 C ATOM 901 O LYS A 51 -1.199 -8.189 7.211 1.00 0.00 O ATOM 902 CB LYS A 51 -0.227 -11.317 7.720 1.00 0.00 C ATOM 903 CG LYS A 51 0.957 -10.615 8.363 1.00 0.00 C ATOM 904 CD LYS A 51 2.094 -11.583 8.645 1.00 0.00 C ATOM 905 CE LYS A 51 3.386 -10.848 8.966 1.00 0.00 C ATOM 906 NZ LYS A 51 3.458 -10.454 10.400 1.00 0.00 N ATOM 0 H LYS A 51 -2.418 -12.255 7.045 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.662 -10.111 8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.390 -12.271 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.015 -11.541 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.310 -9.820 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.640 -10.144 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.824 -12.229 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.247 -12.228 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.236 -11.484 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.463 -9.959 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.353 -9.956 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.661 -9.826 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.410 -11.305 10.997 1.00 0.00 H new ATOM 920 N TRP A 52 -1.609 -9.607 5.514 1.00 0.00 N ATOM 921 CA TRP A 52 -1.546 -8.571 4.489 1.00 0.00 C ATOM 922 C TRP A 52 -2.690 -7.576 4.651 1.00 0.00 C ATOM 923 O TRP A 52 -2.531 -6.386 4.380 1.00 0.00 O ATOM 924 CB TRP A 52 -1.594 -9.200 3.096 1.00 0.00 C ATOM 925 CG TRP A 52 -0.346 -9.949 2.739 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.240 -11.283 2.468 1.00 0.00 C ATOM 927 CD2 TRP A 52 0.974 -9.407 2.617 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.066 -11.604 2.185 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.830 -10.470 2.268 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.515 -8.127 2.765 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.196 -10.290 2.069 1.00 0.00 C ATOM 932 CZ3 TRP A 52 2.871 -7.950 2.567 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.699 -9.026 2.221 1.00 0.00 C ATOM 0 H TRP A 52 -1.801 -10.543 5.157 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.604 -8.035 4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.445 -9.879 3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.763 -8.417 2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.062 -11.983 2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.410 -12.535 1.951 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.884 -7.291 3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.836 -11.118 1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.300 -6.965 2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.755 -8.855 2.071 1.00 0.00 H new ATOM 944 N GLN A 53 -3.841 -8.071 5.094 1.00 0.00 N ATOM 945 CA GLN A 53 -5.011 -7.223 5.291 1.00 0.00 C ATOM 946 C GLN A 53 -4.715 -6.110 6.291 1.00 0.00 C ATOM 947 O GLN A 53 -5.188 -4.984 6.137 1.00 0.00 O ATOM 948 CB GLN A 53 -6.197 -8.059 5.777 1.00 0.00 C ATOM 949 CG GLN A 53 -7.021 -8.660 4.649 1.00 0.00 C ATOM 950 CD GLN A 53 -7.810 -7.616 3.883 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.370 -6.476 3.732 1.00 0.00 O ATOM 952 NE2 GLN A 53 -8.983 -8.002 3.395 1.00 0.00 N ATOM 0 H GLN A 53 -3.989 -9.054 5.323 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.264 -6.768 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.828 -8.863 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.843 -7.434 6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.359 -9.187 3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.708 -9.400 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.308 -8.957 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.559 -7.343 2.871 1.00 0.00 H new ATOM 961 N GLN A 54 -3.930 -6.433 7.313 1.00 0.00 N ATOM 962 CA GLN A 54 -3.573 -5.460 8.338 1.00 0.00 C ATOM 963 C GLN A 54 -2.623 -4.406 7.780 1.00 0.00 C ATOM 964 O GLN A 54 -2.897 -3.208 7.852 1.00 0.00 O ATOM 965 CB GLN A 54 -2.929 -6.162 9.535 1.00 0.00 C ATOM 966 CG GLN A 54 -2.187 -5.217 10.468 1.00 0.00 C ATOM 967 CD GLN A 54 -1.853 -5.857 11.801 1.00 0.00 C ATOM 968 OE1 GLN A 54 -1.564 -7.051 11.875 1.00 0.00 O ATOM 969 NE2 GLN A 54 -1.890 -5.062 12.864 1.00 0.00 N ATOM 0 H GLN A 54 -3.529 -7.360 7.453 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.486 -4.963 8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.702 -6.683 10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.235 -6.919 9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.266 -4.886 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.795 -4.328 10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.135 -4.078 12.756 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.674 -5.436 13.788 1.00 0.00 H new ATOM 978 N VAL A 55 -1.503 -4.860 7.225 1.00 0.00 N ATOM 979 CA VAL A 55 -0.512 -3.956 6.653 1.00 0.00 C ATOM 980 C VAL A 55 -1.116 -3.115 5.534 1.00 0.00 C ATOM 981 O VAL A 55 -0.774 -1.943 5.371 1.00 0.00 O ATOM 982 CB VAL A 55 0.701 -4.729 6.102 1.00 0.00 C ATOM 983 CG1 VAL A 55 0.251 -5.799 5.119 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.688 -3.774 5.449 1.00 0.00 C ATOM 0 H VAL A 55 -1.260 -5.848 7.160 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.180 -3.300 7.458 1.00 0.00 H new ATOM 0 HB VAL A 55 1.204 -5.223 6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.122 -6.335 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.415 -6.499 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.277 -5.331 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.539 -4.337 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.199 -3.251 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.035 -3.049 6.186 1.00 0.00 H new ATOM 994 N TRP A 56 -2.015 -3.720 4.767 1.00 0.00 N ATOM 995 CA TRP A 56 -2.668 -3.026 3.662 1.00 0.00 C ATOM 996 C TRP A 56 -3.321 -1.734 4.141 1.00 0.00 C ATOM 997 O TRP A 56 -3.366 -0.744 3.411 1.00 0.00 O ATOM 998 CB TRP A 56 -3.715 -3.931 3.012 1.00 0.00 C ATOM 999 CG TRP A 56 -4.456 -3.271 1.888 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.229 -3.431 0.551 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.541 -2.344 2.005 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.108 -2.660 -0.171 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.924 -1.984 0.698 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.227 -1.785 3.086 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -6.961 -1.091 0.446 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.256 -0.898 2.834 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.616 -0.558 1.523 1.00 0.00 C ATOM 0 H TRP A 56 -2.309 -4.689 4.889 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.907 -2.774 2.923 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.225 -4.830 2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.430 -4.251 3.770 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.470 -4.070 0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.147 -2.601 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.958 -2.041 4.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.239 -0.828 -0.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.792 -0.459 3.662 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.426 0.138 1.359 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.826 -1.751 5.370 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.477 -0.580 5.944 1.00 0.00 C ATOM 1020 C GLN A 57 -3.495 0.579 6.076 1.00 0.00 C ATOM 1021 O GLN A 57 -3.824 1.722 5.758 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.069 -0.920 7.313 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.187 -1.948 7.254 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.340 -2.720 8.550 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -5.432 -2.743 9.382 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.491 -3.356 8.729 1.00 0.00 N ATOM 0 H GLN A 57 -3.797 -2.563 5.987 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.281 -0.277 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.276 -1.295 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.450 -0.007 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.126 -1.445 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.990 -2.646 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.216 -3.310 8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.651 -3.891 9.583 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.289 0.277 6.546 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.260 1.295 6.720 1.00 0.00 C ATOM 1037 C GLU A 58 -0.877 1.916 5.380 1.00 0.00 C ATOM 1038 O GLU A 58 -0.544 3.099 5.305 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.022 0.692 7.387 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.184 0.469 8.882 1.00 0.00 C ATOM 1041 CD GLU A 58 1.061 -0.114 9.523 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.646 -1.049 8.938 1.00 0.00 O ATOM 1043 OE2 GLU A 58 1.449 0.365 10.609 1.00 0.00 O ATOM 0 H GLU A 58 -2.001 -0.664 6.813 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.665 2.078 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.211 -0.260 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.830 1.351 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.426 1.417 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.026 -0.201 9.057 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.925 1.109 4.325 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.584 1.579 2.988 1.00 0.00 C ATOM 1052 C ILE A 59 -1.664 2.505 2.439 1.00 0.00 C ATOM 1053 O ILE A 59 -1.365 3.501 1.781 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.386 0.404 2.012 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.703 -0.538 2.528 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.034 0.921 0.625 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.760 -1.857 1.790 1.00 0.00 C ATOM 0 H ILE A 59 -1.197 0.127 4.370 1.00 0.00 H new ATOM 0 HA ILE A 59 0.353 2.129 3.076 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.320 -0.154 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.670 -0.042 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.533 -0.731 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.103 0.079 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.841 1.555 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.888 1.500 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.555 -2.474 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.194 -2.374 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.960 -1.675 0.734 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.920 2.171 2.716 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.045 2.973 2.250 1.00 0.00 C ATOM 1071 C ASN A 60 -4.119 4.296 3.007 1.00 0.00 C ATOM 1072 O ASN A 60 -4.265 5.360 2.406 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.355 2.201 2.421 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.549 3.119 2.591 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.867 3.914 1.706 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -7.218 3.014 3.734 1.00 0.00 N ATOM 0 H ASN A 60 -3.184 1.350 3.261 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.893 3.187 1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.513 1.561 1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.277 1.546 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.031 3.606 3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.919 2.341 4.440 1.00 0.00 H new ATOM 1083 N VAL A 61 -4.018 4.221 4.330 1.00 0.00 N ATOM 1084 CA VAL A 61 -4.071 5.412 5.170 1.00 0.00 C ATOM 1085 C VAL A 61 -2.897 6.340 4.882 1.00 0.00 C ATOM 1086 O VAL A 61 -3.019 7.561 4.983 1.00 0.00 O ATOM 1087 CB VAL A 61 -4.067 5.045 6.666 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.721 4.462 7.069 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.406 6.261 7.513 1.00 0.00 C ATOM 0 H VAL A 61 -3.899 3.348 4.844 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.003 5.925 4.933 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.831 4.287 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.737 4.209 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.524 3.564 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.936 5.195 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.399 5.984 8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.667 7.043 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.395 6.629 7.242 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.759 5.753 4.524 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.562 6.529 4.222 1.00 0.00 C ATOM 1101 C GLU A 62 -0.792 7.439 3.019 1.00 0.00 C ATOM 1102 O GLU A 62 -0.479 8.628 3.058 1.00 0.00 O ATOM 1103 CB GLU A 62 0.622 5.598 3.952 1.00 0.00 C ATOM 1104 CG GLU A 62 1.860 6.318 3.445 1.00 0.00 C ATOM 1105 CD GLU A 62 2.548 7.127 4.528 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.179 8.305 4.713 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.456 6.582 5.189 1.00 0.00 O ATOM 0 H GLU A 62 -1.641 4.744 4.436 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.336 7.151 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.872 5.066 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.323 4.847 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.561 5.587 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.581 6.979 2.624 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.341 6.870 1.951 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.615 7.629 0.737 1.00 0.00 C ATOM 1116 C ALA A 63 -2.457 8.863 1.039 1.00 0.00 C ATOM 1117 O ALA A 63 -2.309 9.902 0.395 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.314 6.749 -0.289 1.00 0.00 C ATOM 0 H ALA A 63 -1.605 5.886 1.902 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.663 7.963 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.513 7.329 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.676 5.901 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.255 6.386 0.124 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.342 8.744 2.023 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.209 9.850 2.413 1.00 0.00 C ATOM 1126 C LYS A 64 -3.391 11.016 2.958 1.00 0.00 C ATOM 1127 O LYS A 64 -3.630 12.171 2.607 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.220 9.387 3.463 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.507 10.194 3.466 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.345 11.499 4.228 1.00 0.00 C ATOM 1131 CE LYS A 64 -6.620 11.316 5.712 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.070 11.442 6.028 1.00 0.00 N ATOM 0 H LYS A 64 -3.478 7.891 2.566 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.745 10.189 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.459 8.338 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.760 9.448 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.807 10.406 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.306 9.605 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.333 11.880 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.026 12.246 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.263 10.336 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.059 12.059 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.215 11.311 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.405 12.386 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.603 10.717 5.507 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.425 10.705 3.817 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.571 11.728 4.409 1.00 0.00 C ATOM 1148 C GLN A 65 -0.916 12.582 3.330 1.00 0.00 C ATOM 1149 O GLN A 65 -0.968 13.811 3.380 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.498 11.081 5.286 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.061 10.180 6.373 1.00 0.00 C ATOM 1152 CD GLN A 65 0.014 9.390 7.092 1.00 0.00 C ATOM 1153 OE1 GLN A 65 1.197 9.728 7.028 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.391 8.331 7.784 1.00 0.00 N ATOM 0 H GLN A 65 -2.215 9.753 4.118 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.195 12.373 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.173 10.498 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.101 11.865 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.605 10.787 7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.779 9.490 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.381 8.087 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.288 7.762 8.289 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.299 11.924 2.354 1.00 0.00 N ATOM 1164 CA VAL A 66 0.366 12.623 1.261 1.00 0.00 C ATOM 1165 C VAL A 66 -0.557 13.658 0.628 1.00 0.00 C ATOM 1166 O VAL A 66 -0.113 14.724 0.201 1.00 0.00 O ATOM 1167 CB VAL A 66 0.841 11.642 0.173 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.511 12.392 -0.968 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.783 10.605 0.766 1.00 0.00 C ATOM 0 H VAL A 66 -0.246 10.907 2.298 1.00 0.00 H new ATOM 0 HA VAL A 66 1.233 13.126 1.689 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.029 11.122 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.840 11.682 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.802 13.092 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.372 12.940 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.109 9.920 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.651 11.105 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.265 10.046 1.545 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.845 13.338 0.572 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.834 14.240 -0.007 1.00 0.00 C ATOM 1181 C LYS A 67 -2.932 15.530 0.801 1.00 0.00 C ATOM 1182 O LYS A 67 -3.184 16.602 0.249 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.203 13.559 -0.068 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.159 14.203 -1.057 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.589 13.743 -0.830 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.282 14.582 0.232 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.082 14.024 1.598 1.00 0.00 N ATOM 0 H LYS A 67 -2.229 12.460 0.921 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.514 14.488 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.067 12.511 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.653 13.578 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.105 15.288 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.853 13.956 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.145 13.806 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.592 12.696 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.898 15.602 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.349 14.635 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.932 14.197 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.911 13.000 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.263 14.484 2.045 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.731 15.420 2.109 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.794 16.578 2.993 1.00 0.00 C ATOM 1203 C ASP A 68 -1.507 17.393 2.914 1.00 0.00 C ATOM 1204 O ASP A 68 -1.540 18.606 2.701 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.043 16.134 4.435 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.750 17.195 5.255 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -3.139 18.254 5.508 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -4.915 16.967 5.641 1.00 0.00 O ATOM 0 H ASP A 68 -2.523 14.540 2.581 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.622 17.207 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.641 15.223 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.091 15.890 4.906 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.375 16.720 3.088 1.00 0.00 N ATOM 1214 CA ILE A 69 0.923 17.382 3.037 1.00 0.00 C ATOM 1215 C ILE A 69 1.121 18.100 1.707 1.00 0.00 C ATOM 1216 O ILE A 69 1.765 19.147 1.645 1.00 0.00 O ATOM 1217 CB ILE A 69 2.074 16.380 3.243 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.401 15.667 1.929 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.712 15.371 4.323 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.552 14.693 2.040 1.00 0.00 C ATOM 0 H ILE A 69 -0.330 15.717 3.266 1.00 0.00 H new ATOM 0 HA ILE A 69 0.938 18.111 3.847 1.00 0.00 H new ATOM 0 HB ILE A 69 2.959 16.928 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.515 15.133 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.638 16.412 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.536 14.670 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.524 15.894 5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.816 14.826 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.727 14.225 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.450 15.225 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.310 13.926 2.775 1.00 0.00 H new ATOM 1232 N MET A 70 0.561 17.531 0.644 1.00 0.00 N ATOM 1233 CA MET A 70 0.674 18.119 -0.686 1.00 0.00 C ATOM 1234 C MET A 70 -0.286 19.295 -0.843 1.00 0.00 C ATOM 1235 O MET A 70 -1.328 19.350 -0.191 1.00 0.00 O ATOM 1236 CB MET A 70 0.390 17.066 -1.758 1.00 0.00 C ATOM 1237 CG MET A 70 -1.091 16.794 -1.965 1.00 0.00 C ATOM 1238 SD MET A 70 -1.435 15.978 -3.536 1.00 0.00 S ATOM 1239 CE MET A 70 -2.943 16.811 -4.027 1.00 0.00 C ATOM 0 H MET A 70 0.025 16.664 0.678 1.00 0.00 H new ATOM 0 HA MET A 70 1.693 18.486 -0.809 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.826 17.393 -2.702 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.887 16.136 -1.483 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.460 16.173 -1.149 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.639 17.735 -1.921 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.282 16.415 -4.984 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.712 16.646 -3.273 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.753 17.880 -4.124 1.00 0.00 H new