USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 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 :FLIP amide:sc= -0.44 F(o=-1.5,f=-0.44) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.863 K(o=0.2,f=-9.2!) USER MOD Set 2.2: A 24 SER OG : rot 114:sc= 1.06 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.345 F(o=-2.2,f=-0.34) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.081) 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 146:sc= -15.5! (180deg=-18.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 36 MET CE :methyl 172:sc= -0.569 (180deg=-0.704) USER MOD Single : A 37 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) 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 -26:sc= 0.435 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 :FLIP no HD1:sc= -0.527 F(o=-1.6,f=-0.53) USER MOD Single : A 50 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.74) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.48! C(o=-1.5!,f=-1.5!) USER MOD Single : A 54 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.278 F(o=-1.1!,f=-0.28) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -140:sc= -0.0204 (180deg=-0.087) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.491 -10.364 -3.642 1.00 0.00 N ATOM 102 CA LEU A 3 3.972 -9.177 -2.972 1.00 0.00 C ATOM 103 C LEU A 3 5.023 -8.071 -2.931 1.00 0.00 C ATOM 104 O LEU A 3 4.691 -6.886 -2.958 1.00 0.00 O ATOM 105 CB LEU A 3 3.525 -9.524 -1.551 1.00 0.00 C ATOM 106 CG LEU A 3 2.408 -8.657 -0.968 1.00 0.00 C ATOM 107 CD1 LEU A 3 2.880 -7.221 -0.800 1.00 0.00 C ATOM 108 CD2 LEU A 3 1.171 -8.714 -1.853 1.00 0.00 C ATOM 0 HA LEU A 3 3.114 -8.816 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.195 -10.563 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.391 -9.457 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 3 2.145 -9.049 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.072 -6.619 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.736 -7.196 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.171 -6.818 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.387 -8.091 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.419 -8.348 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.820 -9.744 -1.922 1.00 0.00 H new ATOM 120 N GLN A 4 6.289 -8.468 -2.867 1.00 0.00 N ATOM 121 CA GLN A 4 7.388 -7.511 -2.824 1.00 0.00 C ATOM 122 C GLN A 4 7.282 -6.508 -3.968 1.00 0.00 C ATOM 123 O GLN A 4 7.322 -5.298 -3.752 1.00 0.00 O ATOM 124 CB GLN A 4 8.731 -8.240 -2.891 1.00 0.00 C ATOM 125 CG GLN A 4 8.899 -9.306 -1.821 1.00 0.00 C ATOM 126 CD GLN A 4 9.417 -8.743 -0.512 1.00 0.00 C ATOM 127 OE1 GLN A 4 8.579 -7.975 0.175 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 10.557 -8.994 -0.122 1.00 0.00 N flip ATOM 0 H GLN A 4 6.579 -9.445 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 4 7.325 -6.967 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.835 -8.703 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.536 -7.511 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.941 -9.795 -1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.587 -10.071 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.168 -9.589 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.891 -8.607 0.761 1.00 0.00 H new ATOM 137 N MET A 5 7.147 -7.022 -5.187 1.00 0.00 N ATOM 138 CA MET A 5 7.034 -6.171 -6.366 1.00 0.00 C ATOM 139 C MET A 5 5.931 -5.133 -6.184 1.00 0.00 C ATOM 140 O MET A 5 5.889 -4.128 -6.895 1.00 0.00 O ATOM 141 CB MET A 5 6.753 -7.018 -7.608 1.00 0.00 C ATOM 142 CG MET A 5 7.280 -6.404 -8.895 1.00 0.00 C ATOM 143 SD MET A 5 6.306 -6.875 -10.338 1.00 0.00 S ATOM 144 CE MET A 5 7.082 -5.879 -11.609 1.00 0.00 C ATOM 0 H MET A 5 7.113 -8.022 -5.384 1.00 0.00 H new ATOM 0 HA MET A 5 7.982 -5.649 -6.498 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.201 -8.003 -7.475 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.677 -7.167 -7.700 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.282 -5.318 -8.801 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.315 -6.713 -9.043 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.589 -6.060 -12.564 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.994 -4.824 -11.349 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.136 -6.146 -11.688 1.00 0.00 H new ATOM 154 N ILE A 6 5.042 -5.383 -5.229 1.00 0.00 N ATOM 155 CA ILE A 6 3.940 -4.469 -4.954 1.00 0.00 C ATOM 156 C ILE A 6 4.308 -3.478 -3.856 1.00 0.00 C ATOM 157 O ILE A 6 4.394 -2.273 -4.095 1.00 0.00 O ATOM 158 CB ILE A 6 2.668 -5.231 -4.537 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.595 -6.579 -5.257 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.430 -4.398 -4.836 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.544 -6.457 -6.764 1.00 0.00 C ATOM 0 H ILE A 6 5.063 -6.210 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 6 3.742 -3.926 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 6 2.709 -5.415 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.462 -7.178 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.712 -7.118 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.539 -4.950 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.480 -3.460 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.383 -4.186 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.493 -7.451 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.662 -5.885 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.440 -5.947 -7.118 1.00 0.00 H new ATOM 173 N VAL A 7 4.527 -3.993 -2.650 1.00 0.00 N ATOM 174 CA VAL A 7 4.890 -3.154 -1.515 1.00 0.00 C ATOM 175 C VAL A 7 6.103 -2.288 -1.836 1.00 0.00 C ATOM 176 O VAL A 7 6.226 -1.168 -1.342 1.00 0.00 O ATOM 177 CB VAL A 7 5.195 -4.001 -0.265 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.916 -4.604 0.296 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.207 -5.088 -0.593 1.00 0.00 C ATOM 0 H VAL A 7 4.459 -4.988 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 7 4.033 -2.512 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 7 5.627 -3.352 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.151 -5.199 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.227 -3.805 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.453 -5.240 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.411 -5.677 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.805 -5.737 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.132 -4.630 -0.945 1.00 0.00 H new ATOM 189 N GLU A 8 6.996 -2.816 -2.668 1.00 0.00 N ATOM 190 CA GLU A 8 8.200 -2.090 -3.055 1.00 0.00 C ATOM 191 C GLU A 8 7.846 -0.810 -3.806 1.00 0.00 C ATOM 192 O GLU A 8 8.463 0.234 -3.599 1.00 0.00 O ATOM 193 CB GLU A 8 9.097 -2.973 -3.925 1.00 0.00 C ATOM 194 CG GLU A 8 8.594 -3.135 -5.350 1.00 0.00 C ATOM 195 CD GLU A 8 9.580 -3.870 -6.237 1.00 0.00 C ATOM 196 OE1 GLU A 8 9.987 -4.991 -5.870 1.00 0.00 O ATOM 197 OE2 GLU A 8 9.943 -3.322 -7.299 1.00 0.00 O ATOM 0 H GLU A 8 6.908 -3.742 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 8 8.738 -1.820 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.100 -2.546 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.181 -3.957 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.648 -3.677 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.393 -2.151 -5.774 1.00 0.00 H new ATOM 204 N ASN A 9 6.848 -0.899 -4.679 1.00 0.00 N ATOM 205 CA ASN A 9 6.412 0.252 -5.461 1.00 0.00 C ATOM 206 C ASN A 9 6.083 1.433 -4.555 1.00 0.00 C ATOM 207 O ASN A 9 6.232 2.591 -4.946 1.00 0.00 O ATOM 208 CB ASN A 9 5.189 -0.114 -6.306 1.00 0.00 C ATOM 209 CG ASN A 9 5.570 -0.686 -7.658 1.00 0.00 C ATOM 210 OD1 ASN A 9 6.445 -1.685 -7.652 1.00 0.00 O flip ATOM 211 ND2 ASN A 9 5.083 -0.235 -8.694 1.00 0.00 N flip ATOM 0 H ASN A 9 6.326 -1.756 -4.863 1.00 0.00 H new ATOM 0 HA ASN A 9 7.229 0.542 -6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.582 -0.840 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.572 0.773 -6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.414 0.534 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.348 -0.630 -9.596 1.00 0.00 H new ATOM 218 N VAL A 10 5.635 1.133 -3.339 1.00 0.00 N ATOM 219 CA VAL A 10 5.286 2.170 -2.376 1.00 0.00 C ATOM 220 C VAL A 10 6.471 3.091 -2.107 1.00 0.00 C ATOM 221 O VAL A 10 6.323 4.313 -2.058 1.00 0.00 O ATOM 222 CB VAL A 10 4.811 1.561 -1.043 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.345 2.653 -0.093 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.704 0.546 -1.287 1.00 0.00 C ATOM 0 H VAL A 10 5.506 0.180 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 10 4.472 2.748 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 10 5.651 1.044 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.013 2.204 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.169 3.339 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.518 3.201 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.380 0.125 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.861 1.037 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.077 -0.252 -1.928 1.00 0.00 H new ATOM 234 N LYS A 11 7.647 2.498 -1.933 1.00 0.00 N ATOM 235 CA LYS A 11 8.859 3.264 -1.671 1.00 0.00 C ATOM 236 C LYS A 11 9.075 4.326 -2.744 1.00 0.00 C ATOM 237 O LYS A 11 9.612 5.401 -2.471 1.00 0.00 O ATOM 238 CB LYS A 11 10.072 2.333 -1.609 1.00 0.00 C ATOM 239 CG LYS A 11 9.968 1.269 -0.530 1.00 0.00 C ATOM 240 CD LYS A 11 9.548 1.866 0.803 1.00 0.00 C ATOM 241 CE LYS A 11 10.012 1.007 1.969 1.00 0.00 C ATOM 242 NZ LYS A 11 11.477 1.135 2.204 1.00 0.00 N ATOM 0 H LYS A 11 7.786 1.488 -1.969 1.00 0.00 H new ATOM 0 HA LYS A 11 8.742 3.763 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.196 1.846 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.968 2.929 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.246 0.511 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.929 0.767 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.963 2.869 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.463 1.966 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.473 1.297 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.766 -0.036 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.713 0.749 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.993 0.608 1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.749 2.138 2.165 1.00 0.00 H new ATOM 256 N LEU A 12 8.652 4.020 -3.966 1.00 0.00 N ATOM 257 CA LEU A 12 8.798 4.949 -5.081 1.00 0.00 C ATOM 258 C LEU A 12 7.859 6.141 -4.923 1.00 0.00 C ATOM 259 O LEU A 12 8.249 7.285 -5.154 1.00 0.00 O ATOM 260 CB LEU A 12 8.516 4.236 -6.405 1.00 0.00 C ATOM 261 CG LEU A 12 8.933 4.984 -7.672 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.913 6.057 -8.019 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.316 5.596 -7.500 1.00 0.00 C ATOM 0 H LEU A 12 8.205 3.136 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 12 9.824 5.316 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.026 3.273 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.447 4.030 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 12 8.973 4.270 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.227 6.578 -8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.940 5.594 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.840 6.769 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.596 6.124 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.303 6.296 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.041 4.807 -7.301 1.00 0.00 H new ATOM 275 N ALA A 13 6.622 5.865 -4.525 1.00 0.00 N ATOM 276 CA ALA A 13 5.629 6.914 -4.331 1.00 0.00 C ATOM 277 C ALA A 13 5.957 7.761 -3.106 1.00 0.00 C ATOM 278 O ALA A 13 5.707 8.966 -3.088 1.00 0.00 O ATOM 279 CB ALA A 13 4.239 6.308 -4.200 1.00 0.00 C ATOM 0 H ALA A 13 6.283 4.923 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 13 5.648 7.564 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.508 7.103 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.997 5.753 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.215 5.633 -3.344 1.00 0.00 H new ATOM 285 N ARG A 14 6.518 7.122 -2.084 1.00 0.00 N ATOM 286 CA ARG A 14 6.878 7.817 -0.854 1.00 0.00 C ATOM 287 C ARG A 14 8.003 8.818 -1.105 1.00 0.00 C ATOM 288 O ARG A 14 8.069 9.865 -0.462 1.00 0.00 O ATOM 289 CB ARG A 14 7.305 6.813 0.218 1.00 0.00 C ATOM 290 CG ARG A 14 7.336 7.396 1.621 1.00 0.00 C ATOM 291 CD ARG A 14 7.086 6.328 2.674 1.00 0.00 C ATOM 292 NE ARG A 14 6.695 6.905 3.957 1.00 0.00 N ATOM 293 CZ ARG A 14 7.545 7.504 4.784 1.00 0.00 C ATOM 294 NH1 ARG A 14 8.828 7.603 4.463 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.113 8.004 5.934 1.00 0.00 N ATOM 0 H ARG A 14 6.733 6.125 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 14 6.001 8.361 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.621 5.964 0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.295 6.430 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.303 7.865 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.582 8.178 1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.304 5.653 2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.988 5.730 2.805 1.00 0.00 H new ATOM 0 HE ARG A 14 5.715 6.845 4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.164 7.219 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.479 8.063 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.127 7.929 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.767 8.464 6.568 1.00 0.00 H new ATOM 309 N GLU A 15 8.884 8.487 -2.044 1.00 0.00 N ATOM 310 CA GLU A 15 10.006 9.357 -2.377 1.00 0.00 C ATOM 311 C GLU A 15 9.536 10.569 -3.177 1.00 0.00 C ATOM 312 O GLU A 15 9.960 11.696 -2.923 1.00 0.00 O ATOM 313 CB GLU A 15 11.060 8.585 -3.173 1.00 0.00 C ATOM 314 CG GLU A 15 12.464 9.146 -3.029 1.00 0.00 C ATOM 315 CD GLU A 15 13.224 8.527 -1.872 1.00 0.00 C ATOM 316 OE1 GLU A 15 12.783 8.694 -0.715 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.260 7.877 -2.123 1.00 0.00 O ATOM 0 H GLU A 15 8.843 7.624 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 15 10.449 9.708 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.059 7.545 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.782 8.590 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.016 8.976 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.407 10.225 -2.886 1.00 0.00 H new ATOM 324 N TYR A 16 8.658 10.327 -4.144 1.00 0.00 N ATOM 325 CA TYR A 16 8.132 11.397 -4.984 1.00 0.00 C ATOM 326 C TYR A 16 7.450 12.468 -4.138 1.00 0.00 C ATOM 327 O TYR A 16 7.576 13.662 -4.408 1.00 0.00 O ATOM 328 CB TYR A 16 7.144 10.833 -6.006 1.00 0.00 C ATOM 329 CG TYR A 16 7.810 10.133 -7.169 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.906 9.302 -6.971 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.343 10.302 -8.467 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.518 8.661 -8.030 1.00 0.00 C ATOM 333 CE2 TYR A 16 7.948 9.664 -9.533 1.00 0.00 C ATOM 334 CZ TYR A 16 9.035 8.845 -9.309 1.00 0.00 C ATOM 335 OH TYR A 16 9.641 8.207 -10.368 1.00 0.00 O ATOM 0 H TYR A 16 8.296 9.400 -4.366 1.00 0.00 H new ATOM 0 HA TYR A 16 8.969 11.855 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.476 10.132 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.525 11.645 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.286 9.155 -5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.492 10.943 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.370 8.020 -7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.572 9.806 -10.535 1.00 0.00 H new ATOM 0 HH TYR A 16 9.178 8.442 -11.199 1.00 0.00 H new ATOM 345 N ALA A 17 6.727 12.031 -3.112 1.00 0.00 N ATOM 346 CA ALA A 17 6.027 12.950 -2.224 1.00 0.00 C ATOM 347 C ALA A 17 6.993 13.947 -1.593 1.00 0.00 C ATOM 348 O ALA A 17 6.657 15.116 -1.400 1.00 0.00 O ATOM 349 CB ALA A 17 5.282 12.178 -1.145 1.00 0.00 C ATOM 0 H ALA A 17 6.611 11.046 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 17 5.305 13.510 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.764 12.878 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.556 11.511 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.992 11.591 -0.562 1.00 0.00 H new ATOM 355 N LEU A 18 8.193 13.478 -1.272 1.00 0.00 N ATOM 356 CA LEU A 18 9.209 14.328 -0.661 1.00 0.00 C ATOM 357 C LEU A 18 9.810 15.283 -1.689 1.00 0.00 C ATOM 358 O LEU A 18 9.855 16.495 -1.474 1.00 0.00 O ATOM 359 CB LEU A 18 10.312 13.471 -0.038 1.00 0.00 C ATOM 360 CG LEU A 18 9.868 12.137 0.562 1.00 0.00 C ATOM 361 CD1 LEU A 18 11.026 11.463 1.281 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.697 12.344 1.512 1.00 0.00 C ATOM 0 H LEU A 18 8.487 12.513 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 18 8.731 14.919 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.064 13.271 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.799 14.054 0.744 1.00 0.00 H new ATOM 0 HG LEU A 18 9.543 11.486 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.691 10.515 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.836 11.281 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.382 12.110 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.394 11.384 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.997 13.013 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.861 12.783 0.968 1.00 0.00 H new ATOM 374 N LEU A 19 10.268 14.729 -2.806 1.00 0.00 N ATOM 375 CA LEU A 19 10.864 15.531 -3.868 1.00 0.00 C ATOM 376 C LEU A 19 9.984 16.731 -4.204 1.00 0.00 C ATOM 377 O LEU A 19 10.482 17.808 -4.529 1.00 0.00 O ATOM 378 CB LEU A 19 11.080 14.677 -5.119 1.00 0.00 C ATOM 379 CG LEU A 19 11.839 13.366 -4.913 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.390 12.855 -6.235 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.961 13.552 -3.902 1.00 0.00 C ATOM 0 H LEU A 19 10.238 13.728 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 19 11.828 15.898 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.106 14.446 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.620 15.274 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 19 11.143 12.624 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.927 11.921 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.568 12.682 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.071 13.595 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.490 12.609 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.656 14.309 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.542 13.871 -2.948 1.00 0.00 H new ATOM 393 N GLY A 20 8.671 16.537 -4.121 1.00 0.00 N ATOM 394 CA GLY A 20 7.742 17.612 -4.417 1.00 0.00 C ATOM 395 C GLY A 20 6.608 17.167 -5.318 1.00 0.00 C ATOM 396 O GLY A 20 5.651 17.909 -5.535 1.00 0.00 O ATOM 0 H GLY A 20 8.234 15.655 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.331 17.999 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.280 18.432 -4.893 1.00 0.00 H new ATOM 400 N ASN A 21 6.715 15.952 -5.846 1.00 0.00 N ATOM 401 CA ASN A 21 5.690 15.409 -6.730 1.00 0.00 C ATOM 402 C ASN A 21 4.788 14.431 -5.983 1.00 0.00 C ATOM 403 O ASN A 21 5.032 13.225 -5.979 1.00 0.00 O ATOM 404 CB ASN A 21 6.338 14.710 -7.927 1.00 0.00 C ATOM 405 CG ASN A 21 5.452 14.729 -9.157 1.00 0.00 C ATOM 406 OD1 ASN A 21 5.225 13.696 -9.788 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.947 15.907 -9.504 1.00 0.00 N ATOM 0 H ASN A 21 7.501 15.325 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 21 5.079 16.238 -7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.286 15.196 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.565 13.677 -7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.344 15.982 -10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.162 16.737 -8.951 1.00 0.00 H new ATOM 414 N TYR A 22 3.746 14.961 -5.352 1.00 0.00 N ATOM 415 CA TYR A 22 2.808 14.136 -4.600 1.00 0.00 C ATOM 416 C TYR A 22 1.787 13.487 -5.529 1.00 0.00 C ATOM 417 O TYR A 22 1.393 12.337 -5.331 1.00 0.00 O ATOM 418 CB TYR A 22 2.091 14.977 -3.543 1.00 0.00 C ATOM 419 CG TYR A 22 2.989 15.979 -2.855 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.305 17.189 -3.461 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.523 15.716 -1.599 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.126 18.108 -2.836 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.343 16.630 -0.966 1.00 0.00 C ATOM 424 CZ TYR A 22 4.642 17.824 -1.589 1.00 0.00 C ATOM 425 OH TYR A 22 5.461 18.736 -0.962 1.00 0.00 O ATOM 0 H TYR A 22 3.530 15.958 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 22 3.374 13.347 -4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.263 15.507 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.660 14.313 -2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.902 17.415 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.293 14.781 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.362 19.043 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.748 16.411 0.011 1.00 0.00 H new ATOM 0 HH TYR A 22 5.738 18.382 -0.091 1.00 0.00 H new ATOM 435 N ASP A 23 1.363 14.232 -6.544 1.00 0.00 N ATOM 436 CA ASP A 23 0.389 13.730 -7.506 1.00 0.00 C ATOM 437 C ASP A 23 0.818 12.374 -8.058 1.00 0.00 C ATOM 438 O ASP A 23 -0.010 11.490 -8.274 1.00 0.00 O ATOM 439 CB ASP A 23 0.211 14.728 -8.652 1.00 0.00 C ATOM 440 CG ASP A 23 -1.169 14.653 -9.276 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.487 13.611 -9.887 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.929 15.636 -9.155 1.00 0.00 O ATOM 0 H ASP A 23 1.679 15.186 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.563 13.607 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.384 15.738 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.963 14.536 -9.417 1.00 0.00 H new ATOM 447 N SER A 24 2.119 12.219 -8.286 1.00 0.00 N ATOM 448 CA SER A 24 2.658 10.973 -8.817 1.00 0.00 C ATOM 449 C SER A 24 2.636 9.876 -7.757 1.00 0.00 C ATOM 450 O SER A 24 2.476 8.697 -8.072 1.00 0.00 O ATOM 451 CB SER A 24 4.088 11.184 -9.319 1.00 0.00 C ATOM 452 OG SER A 24 4.094 11.699 -10.640 1.00 0.00 O ATOM 0 H SER A 24 2.818 12.941 -8.111 1.00 0.00 H new ATOM 0 HA SER A 24 2.030 10.661 -9.651 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.612 11.871 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.630 10.239 -9.291 1.00 0.00 H new ATOM 0 HG SER A 24 4.463 12.607 -10.635 1.00 0.00 H new ATOM 458 N ALA A 25 2.799 10.273 -6.500 1.00 0.00 N ATOM 459 CA ALA A 25 2.796 9.325 -5.392 1.00 0.00 C ATOM 460 C ALA A 25 1.462 8.592 -5.301 1.00 0.00 C ATOM 461 O ALA A 25 1.424 7.373 -5.131 1.00 0.00 O ATOM 462 CB ALA A 25 3.098 10.041 -4.084 1.00 0.00 C ATOM 0 H ALA A 25 2.935 11.245 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 25 3.575 8.585 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.093 9.321 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.079 10.513 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.340 10.803 -3.903 1.00 0.00 H new ATOM 468 N MET A 26 0.371 9.342 -5.414 1.00 0.00 N ATOM 469 CA MET A 26 -0.965 8.761 -5.344 1.00 0.00 C ATOM 470 C MET A 26 -1.168 7.729 -6.449 1.00 0.00 C ATOM 471 O MET A 26 -1.852 6.724 -6.256 1.00 0.00 O ATOM 472 CB MET A 26 -2.027 9.857 -5.453 1.00 0.00 C ATOM 473 CG MET A 26 -1.909 10.926 -4.379 1.00 0.00 C ATOM 474 SD MET A 26 -1.529 10.241 -2.755 1.00 0.00 S ATOM 475 CE MET A 26 0.249 10.060 -2.871 1.00 0.00 C ATOM 0 H MET A 26 0.385 10.352 -5.554 1.00 0.00 H new ATOM 0 HA MET A 26 -1.066 8.261 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.952 10.328 -6.433 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.015 9.401 -5.393 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.130 11.635 -4.661 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.843 11.485 -4.324 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.698 10.241 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.491 9.049 -3.199 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.642 10.779 -3.590 1.00 0.00 H new ATOM 485 N VAL A 27 -0.569 7.985 -7.608 1.00 0.00 N ATOM 486 CA VAL A 27 -0.684 7.078 -8.744 1.00 0.00 C ATOM 487 C VAL A 27 -0.155 5.691 -8.395 1.00 0.00 C ATOM 488 O VAL A 27 -0.805 4.681 -8.665 1.00 0.00 O ATOM 489 CB VAL A 27 0.080 7.613 -9.969 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.048 6.651 -11.141 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.424 8.998 -10.348 1.00 0.00 C ATOM 0 H VAL A 27 0.000 8.813 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.744 7.009 -8.988 1.00 0.00 H new ATOM 0 HB VAL A 27 1.136 7.694 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.498 7.046 -11.997 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.365 5.682 -10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.100 6.535 -11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.127 9.361 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.486 8.946 -10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.275 9.681 -9.512 1.00 0.00 H new ATOM 501 N TYR A 28 1.029 5.650 -7.794 1.00 0.00 N ATOM 502 CA TYR A 28 1.647 4.386 -7.409 1.00 0.00 C ATOM 503 C TYR A 28 0.907 3.753 -6.234 1.00 0.00 C ATOM 504 O TYR A 28 0.598 2.562 -6.250 1.00 0.00 O ATOM 505 CB TYR A 28 3.116 4.604 -7.043 1.00 0.00 C ATOM 506 CG TYR A 28 4.059 4.465 -8.217 1.00 0.00 C ATOM 507 CD1 TYR A 28 4.100 5.427 -9.218 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.909 3.371 -8.324 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.960 5.303 -10.293 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.773 3.240 -9.394 1.00 0.00 C ATOM 511 CZ TYR A 28 5.794 4.208 -10.376 1.00 0.00 C ATOM 512 OH TYR A 28 6.653 4.082 -11.444 1.00 0.00 O ATOM 0 H TYR A 28 1.580 6.477 -7.563 1.00 0.00 H new ATOM 0 HA TYR A 28 1.588 3.707 -8.260 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.231 5.598 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.400 3.887 -6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.449 6.286 -9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.894 2.610 -7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.979 6.059 -11.064 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.428 2.384 -9.461 1.00 0.00 H new ATOM 0 HH TYR A 28 7.172 3.256 -11.351 1.00 0.00 H new ATOM 522 N TYR A 29 0.626 4.560 -5.217 1.00 0.00 N ATOM 523 CA TYR A 29 -0.075 4.080 -4.032 1.00 0.00 C ATOM 524 C TYR A 29 -1.397 3.419 -4.412 1.00 0.00 C ATOM 525 O TYR A 29 -1.652 2.269 -4.057 1.00 0.00 O ATOM 526 CB TYR A 29 -0.331 5.235 -3.062 1.00 0.00 C ATOM 527 CG TYR A 29 0.767 5.421 -2.039 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.915 4.532 -0.981 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.656 6.485 -2.130 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.916 4.698 -0.044 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.661 6.657 -1.198 1.00 0.00 C ATOM 532 CZ TYR A 29 2.787 5.762 -0.157 1.00 0.00 C ATOM 533 OH TYR A 29 3.785 5.931 0.774 1.00 0.00 O ATOM 0 H TYR A 29 0.873 5.549 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 29 0.556 3.337 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.446 6.158 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.274 5.061 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.236 3.697 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.560 7.189 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.016 3.999 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.345 7.489 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 29 4.311 6.727 0.549 1.00 0.00 H new ATOM 543 N GLN A 30 -2.232 4.155 -5.138 1.00 0.00 N ATOM 544 CA GLN A 30 -3.527 3.641 -5.567 1.00 0.00 C ATOM 545 C GLN A 30 -3.375 2.289 -6.257 1.00 0.00 C ATOM 546 O GLN A 30 -4.226 1.412 -6.120 1.00 0.00 O ATOM 547 CB GLN A 30 -4.208 4.634 -6.510 1.00 0.00 C ATOM 548 CG GLN A 30 -5.585 4.188 -6.973 1.00 0.00 C ATOM 549 CD GLN A 30 -6.674 4.520 -5.972 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.446 5.459 -6.165 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.741 3.748 -4.893 1.00 0.00 N ATOM 0 H GLN A 30 -2.035 5.109 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.148 3.509 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.297 5.597 -6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.573 4.788 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.815 4.664 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.574 3.112 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.080 2.980 -4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.453 3.923 -4.184 1.00 0.00 H new ATOM 560 N GLY A 31 -2.284 2.129 -7.000 1.00 0.00 N ATOM 561 CA GLY A 31 -2.040 0.882 -7.701 1.00 0.00 C ATOM 562 C GLY A 31 -1.618 -0.235 -6.768 1.00 0.00 C ATOM 563 O GLY A 31 -2.128 -1.352 -6.854 1.00 0.00 O ATOM 0 H GLY A 31 -1.565 2.841 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.944 0.585 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.265 1.036 -8.452 1.00 0.00 H new ATOM 567 N VAL A 32 -0.682 0.065 -5.873 1.00 0.00 N ATOM 568 CA VAL A 32 -0.190 -0.922 -4.920 1.00 0.00 C ATOM 569 C VAL A 32 -1.335 -1.526 -4.114 1.00 0.00 C ATOM 570 O VAL A 32 -1.432 -2.745 -3.970 1.00 0.00 O ATOM 571 CB VAL A 32 0.836 -0.305 -3.951 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.008 -1.187 -2.724 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.167 -0.087 -4.653 1.00 0.00 C ATOM 0 H VAL A 32 -0.249 0.985 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 32 0.296 -1.707 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 32 0.463 0.665 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.736 -0.735 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.052 -1.286 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.359 -2.172 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.880 0.350 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.550 -1.042 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.027 0.588 -5.497 1.00 0.00 H new ATOM 583 N LEU A 33 -2.201 -0.665 -3.591 1.00 0.00 N ATOM 584 CA LEU A 33 -3.341 -1.112 -2.799 1.00 0.00 C ATOM 585 C LEU A 33 -4.239 -2.039 -3.613 1.00 0.00 C ATOM 586 O LEU A 33 -4.674 -3.083 -3.127 1.00 0.00 O ATOM 587 CB LEU A 33 -4.146 0.091 -2.303 1.00 0.00 C ATOM 588 CG LEU A 33 -3.565 0.838 -1.103 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.072 -0.143 -0.051 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.438 1.761 -1.544 1.00 0.00 C ATOM 0 H LEU A 33 -2.135 0.347 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.961 -1.666 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.253 0.796 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.148 -0.250 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.354 1.446 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.662 0.407 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.903 -0.762 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.297 -0.778 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.036 2.285 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.648 1.173 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.822 2.487 -2.261 1.00 0.00 H new ATOM 602 N ASP A 34 -4.511 -1.650 -4.854 1.00 0.00 N ATOM 603 CA ASP A 34 -5.355 -2.448 -5.737 1.00 0.00 C ATOM 604 C ASP A 34 -4.712 -3.800 -6.027 1.00 0.00 C ATOM 605 O ASP A 34 -5.341 -4.845 -5.862 1.00 0.00 O ATOM 606 CB ASP A 34 -5.610 -1.699 -7.046 1.00 0.00 C ATOM 607 CG ASP A 34 -6.849 -0.828 -6.982 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.965 -1.371 -7.123 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.703 0.398 -6.790 1.00 0.00 O ATOM 0 H ASP A 34 -4.160 -0.788 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.307 -2.619 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.745 -1.079 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.716 -2.418 -7.858 1.00 0.00 H new ATOM 614 N GLN A 35 -3.456 -3.772 -6.460 1.00 0.00 N ATOM 615 CA GLN A 35 -2.729 -4.996 -6.775 1.00 0.00 C ATOM 616 C GLN A 35 -2.599 -5.884 -5.542 1.00 0.00 C ATOM 617 O GLN A 35 -2.579 -7.110 -5.648 1.00 0.00 O ATOM 618 CB GLN A 35 -1.342 -4.663 -7.327 1.00 0.00 C ATOM 619 CG GLN A 35 -1.376 -3.934 -8.660 1.00 0.00 C ATOM 620 CD GLN A 35 -2.136 -4.700 -9.725 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.288 -4.175 -10.125 1.00 0.00 O flip ATOM 622 NE2 GLN A 35 -1.691 -5.753 -10.185 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.921 -2.915 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.293 -5.539 -7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.809 -4.050 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.775 -5.587 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.837 -2.956 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.355 -3.761 -9.001 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.801 -6.121 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.213 -6.257 -10.902 1.00 0.00 H new ATOM 631 N MET A 36 -2.511 -5.257 -4.374 1.00 0.00 N ATOM 632 CA MET A 36 -2.383 -5.991 -3.120 1.00 0.00 C ATOM 633 C MET A 36 -3.608 -6.867 -2.877 1.00 0.00 C ATOM 634 O MET A 36 -3.485 -8.063 -2.616 1.00 0.00 O ATOM 635 CB MET A 36 -2.196 -5.021 -1.953 1.00 0.00 C ATOM 636 CG MET A 36 -0.740 -4.691 -1.665 1.00 0.00 C ATOM 637 SD MET A 36 -0.502 -3.967 -0.031 1.00 0.00 S ATOM 638 CE MET A 36 -0.881 -5.368 1.019 1.00 0.00 C ATOM 0 H MET A 36 -2.526 -4.243 -4.269 1.00 0.00 H new ATOM 0 HA MET A 36 -1.506 -6.634 -3.192 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.734 -4.098 -2.169 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.647 -5.451 -1.058 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.143 -5.599 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.372 -3.999 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.642 -5.122 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.941 -5.607 0.938 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.290 -6.228 0.705 1.00 0.00 H new ATOM 648 N ASN A 37 -4.789 -6.263 -2.963 1.00 0.00 N ATOM 649 CA ASN A 37 -6.036 -6.989 -2.751 1.00 0.00 C ATOM 650 C ASN A 37 -6.117 -8.210 -3.662 1.00 0.00 C ATOM 651 O ASN A 37 -6.385 -9.322 -3.206 1.00 0.00 O ATOM 652 CB ASN A 37 -7.234 -6.071 -3.002 1.00 0.00 C ATOM 653 CG ASN A 37 -7.694 -5.362 -1.743 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.598 -5.904 -0.642 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.196 -4.143 -1.901 1.00 0.00 N ATOM 0 H ASN A 37 -4.909 -5.273 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.058 -7.329 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.969 -5.330 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.059 -6.657 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.521 -3.616 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.256 -3.733 -2.833 1.00 0.00 H new ATOM 662 N LYS A 38 -5.881 -7.996 -4.951 1.00 0.00 N ATOM 663 CA LYS A 38 -5.925 -9.078 -5.928 1.00 0.00 C ATOM 664 C LYS A 38 -5.045 -10.244 -5.487 1.00 0.00 C ATOM 665 O LYS A 38 -5.350 -11.404 -5.767 1.00 0.00 O ATOM 666 CB LYS A 38 -5.471 -8.573 -7.300 1.00 0.00 C ATOM 667 CG LYS A 38 -6.269 -7.384 -7.804 1.00 0.00 C ATOM 668 CD LYS A 38 -6.311 -7.344 -9.323 1.00 0.00 C ATOM 669 CE LYS A 38 -5.065 -6.689 -9.898 1.00 0.00 C ATOM 670 NZ LYS A 38 -4.786 -7.152 -11.286 1.00 0.00 N ATOM 0 H LYS A 38 -5.657 -7.082 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.955 -9.429 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.418 -8.297 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.551 -9.386 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.285 -7.434 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.827 -6.462 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.403 -8.358 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.195 -6.796 -9.649 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.189 -5.606 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.209 -6.914 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.002 -6.598 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.526 -8.159 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.635 -7.023 -11.872 1.00 0.00 H new ATOM 684 N TYR A 39 -3.955 -9.929 -4.797 1.00 0.00 N ATOM 685 CA TYR A 39 -3.032 -10.951 -4.319 1.00 0.00 C ATOM 686 C TYR A 39 -3.629 -11.717 -3.143 1.00 0.00 C ATOM 687 O TYR A 39 -3.560 -12.946 -3.088 1.00 0.00 O ATOM 688 CB TYR A 39 -1.703 -10.314 -3.906 1.00 0.00 C ATOM 689 CG TYR A 39 -0.663 -11.318 -3.462 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.723 -11.899 -2.201 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.379 -11.686 -4.304 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.226 -12.816 -1.792 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.331 -12.603 -3.904 1.00 0.00 C ATOM 694 CZ TYR A 39 1.251 -13.165 -2.647 1.00 0.00 C ATOM 695 OH TYR A 39 2.197 -14.079 -2.243 1.00 0.00 O ATOM 0 H TYR A 39 -3.689 -8.974 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.854 -11.653 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.308 -9.741 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.884 -9.608 -3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.525 -11.629 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.446 -11.247 -5.289 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.166 -13.257 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.134 -12.879 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 39 2.848 -14.215 -2.962 1.00 0.00 H new ATOM 705 N LEU A 40 -4.216 -10.983 -2.204 1.00 0.00 N ATOM 706 CA LEU A 40 -4.827 -11.592 -1.027 1.00 0.00 C ATOM 707 C LEU A 40 -6.017 -12.462 -1.420 1.00 0.00 C ATOM 708 O LEU A 40 -6.272 -13.498 -0.805 1.00 0.00 O ATOM 709 CB LEU A 40 -5.274 -10.511 -0.043 1.00 0.00 C ATOM 710 CG LEU A 40 -4.403 -9.255 0.017 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.699 -8.459 1.278 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.928 -9.626 -0.048 1.00 0.00 C ATOM 0 H LEU A 40 -4.282 -9.966 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.081 -12.225 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.290 -10.212 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.313 -10.949 0.954 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.639 -8.631 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.070 -7.569 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.748 -8.162 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.492 -9.074 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.323 -8.721 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.678 -10.271 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.726 -10.153 -0.981 1.00 0.00 H new ATOM 724 N TYR A 41 -6.740 -12.035 -2.450 1.00 0.00 N ATOM 725 CA TYR A 41 -7.903 -12.775 -2.925 1.00 0.00 C ATOM 726 C TYR A 41 -7.487 -14.105 -3.545 1.00 0.00 C ATOM 727 O TYR A 41 -8.313 -14.996 -3.743 1.00 0.00 O ATOM 728 CB TYR A 41 -8.679 -11.943 -3.948 1.00 0.00 C ATOM 729 CG TYR A 41 -10.173 -12.177 -3.910 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.732 -13.314 -4.481 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.024 -11.262 -3.303 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.096 -13.531 -4.450 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.389 -11.472 -3.266 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.920 -12.607 -3.841 1.00 0.00 C ATOM 735 OH TYR A 41 -14.279 -12.821 -3.807 1.00 0.00 O ATOM 0 H TYR A 41 -6.541 -11.181 -2.971 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.546 -12.980 -2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.480 -10.886 -3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.309 -12.173 -4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.089 -14.040 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.612 -10.371 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.515 -14.419 -4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.037 -10.751 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.716 -12.078 -3.341 1.00 0.00 H new ATOM 745 N SER A 42 -6.199 -14.232 -3.849 1.00 0.00 N ATOM 746 CA SER A 42 -5.672 -15.451 -4.450 1.00 0.00 C ATOM 747 C SER A 42 -5.062 -16.360 -3.387 1.00 0.00 C ATOM 748 O SER A 42 -4.638 -17.479 -3.679 1.00 0.00 O ATOM 749 CB SER A 42 -4.622 -15.110 -5.509 1.00 0.00 C ATOM 750 OG SER A 42 -4.202 -16.272 -6.203 1.00 0.00 O ATOM 0 H SER A 42 -5.501 -13.505 -3.689 1.00 0.00 H new ATOM 0 HA SER A 42 -6.498 -15.980 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.034 -14.390 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.763 -14.636 -5.035 1.00 0.00 H new ATOM 0 HG SER A 42 -4.331 -17.058 -5.633 1.00 0.00 H new ATOM 756 N VAL A 43 -5.021 -15.871 -2.152 1.00 0.00 N ATOM 757 CA VAL A 43 -4.464 -16.639 -1.044 1.00 0.00 C ATOM 758 C VAL A 43 -5.430 -17.727 -0.589 1.00 0.00 C ATOM 759 O VAL A 43 -6.648 -17.563 -0.664 1.00 0.00 O ATOM 760 CB VAL A 43 -4.128 -15.731 0.155 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.341 -16.501 1.203 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.359 -14.503 -0.307 1.00 0.00 C ATOM 0 H VAL A 43 -5.367 -14.947 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.547 -17.101 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.061 -15.397 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.113 -15.844 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.933 -17.346 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.412 -16.866 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.130 -13.873 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.431 -14.814 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.964 -13.941 -1.018 1.00 0.00 H new ATOM 772 N LYS A 44 -4.879 -18.839 -0.115 1.00 0.00 N ATOM 773 CA LYS A 44 -5.690 -19.956 0.355 1.00 0.00 C ATOM 774 C LYS A 44 -5.654 -20.052 1.876 1.00 0.00 C ATOM 775 O LYS A 44 -6.579 -20.576 2.497 1.00 0.00 O ATOM 776 CB LYS A 44 -5.197 -21.266 -0.262 1.00 0.00 C ATOM 777 CG LYS A 44 -5.508 -21.397 -1.743 1.00 0.00 C ATOM 778 CD LYS A 44 -4.414 -20.779 -2.599 1.00 0.00 C ATOM 779 CE LYS A 44 -4.670 -21.008 -4.081 1.00 0.00 C ATOM 780 NZ LYS A 44 -4.187 -22.344 -4.527 1.00 0.00 N ATOM 0 H LYS A 44 -3.873 -18.991 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.720 -19.781 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.119 -21.343 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.650 -22.102 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.621 -22.450 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.459 -20.912 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.355 -19.709 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.450 -21.208 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.738 -20.922 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.172 -20.230 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.380 -22.462 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.163 -22.417 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.680 -23.088 -3.993 1.00 0.00 H new ATOM 794 N ASP A 45 -4.581 -19.543 2.471 1.00 0.00 N ATOM 795 CA ASP A 45 -4.425 -19.570 3.921 1.00 0.00 C ATOM 796 C ASP A 45 -4.858 -18.244 4.538 1.00 0.00 C ATOM 797 O ASP A 45 -4.134 -17.250 4.475 1.00 0.00 O ATOM 798 CB ASP A 45 -2.973 -19.869 4.294 1.00 0.00 C ATOM 799 CG ASP A 45 -2.839 -20.434 5.695 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.687 -21.266 6.083 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.887 -20.046 6.402 1.00 0.00 O ATOM 0 H ASP A 45 -3.806 -19.107 1.972 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.063 -20.361 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.556 -20.577 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.385 -18.954 4.217 1.00 0.00 H new ATOM 806 N THR A 46 -6.047 -18.234 5.135 1.00 0.00 N ATOM 807 CA THR A 46 -6.578 -17.031 5.762 1.00 0.00 C ATOM 808 C THR A 46 -5.522 -16.347 6.622 1.00 0.00 C ATOM 809 O THR A 46 -5.454 -15.119 6.681 1.00 0.00 O ATOM 810 CB THR A 46 -7.808 -17.348 6.633 1.00 0.00 C ATOM 811 OG1 THR A 46 -8.076 -16.254 7.518 1.00 0.00 O ATOM 812 CG2 THR A 46 -7.586 -18.617 7.442 1.00 0.00 C ATOM 0 H THR A 46 -6.660 -19.047 5.197 1.00 0.00 H new ATOM 0 HA THR A 46 -6.876 -16.360 4.956 1.00 0.00 H new ATOM 0 HB THR A 46 -8.663 -17.501 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.860 -16.462 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.468 -18.820 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.410 -19.454 6.766 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.720 -18.488 8.092 1.00 0.00 H new ATOM 820 N HIS A 47 -4.698 -17.149 7.289 1.00 0.00 N ATOM 821 CA HIS A 47 -3.643 -16.620 8.146 1.00 0.00 C ATOM 822 C HIS A 47 -2.636 -15.812 7.333 1.00 0.00 C ATOM 823 O HIS A 47 -2.083 -14.823 7.816 1.00 0.00 O ATOM 824 CB HIS A 47 -2.929 -17.760 8.874 1.00 0.00 C ATOM 825 CG HIS A 47 -1.577 -17.383 9.397 1.00 0.00 C ATOM 826 ND1 HIS A 47 -1.136 -16.237 9.967 1.00 0.00 N flip ATOM 827 CD2 HIS A 47 -0.493 -18.234 9.363 1.00 0.00 C flip ATOM 828 CE1 HIS A 47 0.192 -16.415 10.265 1.00 0.00 C flip ATOM 829 NE2 HIS A 47 0.556 -17.629 9.891 1.00 0.00 N flip ATOM 0 H HIS A 47 -4.741 -18.167 7.252 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.103 -15.960 8.881 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.550 -18.095 9.705 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.824 -18.605 8.194 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.500 -19.239 8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.835 -15.682 10.730 1.00 0.00 H new ATOM 0 HE2 HIS A 47 1.488 -18.031 9.993 1.00 0.00 H new ATOM 838 N LEU A 48 -2.403 -16.238 6.096 1.00 0.00 N ATOM 839 CA LEU A 48 -1.462 -15.554 5.216 1.00 0.00 C ATOM 840 C LEU A 48 -2.034 -14.225 4.735 1.00 0.00 C ATOM 841 O LEU A 48 -1.391 -13.182 4.854 1.00 0.00 O ATOM 842 CB LEU A 48 -1.121 -16.439 4.016 1.00 0.00 C ATOM 843 CG LEU A 48 -0.223 -15.809 2.951 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.873 -14.977 3.601 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.380 -16.883 2.058 1.00 0.00 C ATOM 0 H LEU A 48 -2.853 -17.054 5.680 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.553 -15.353 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.636 -17.343 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.052 -16.747 3.541 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.833 -15.151 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.502 -14.536 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.422 -14.184 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.481 -15.614 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.016 -16.416 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.975 -17.567 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.419 -17.437 1.564 1.00 0.00 H new ATOM 857 N ARG A 49 -3.247 -14.269 4.194 1.00 0.00 N ATOM 858 CA ARG A 49 -3.907 -13.068 3.697 1.00 0.00 C ATOM 859 C ARG A 49 -4.239 -12.116 4.842 1.00 0.00 C ATOM 860 O ARG A 49 -4.255 -10.899 4.664 1.00 0.00 O ATOM 861 CB ARG A 49 -5.184 -13.438 2.940 1.00 0.00 C ATOM 862 CG ARG A 49 -5.989 -14.542 3.607 1.00 0.00 C ATOM 863 CD ARG A 49 -7.412 -14.593 3.074 1.00 0.00 C ATOM 864 NE ARG A 49 -8.102 -13.315 3.233 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.328 -13.080 2.777 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.995 -14.032 2.138 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.888 -11.892 2.960 1.00 0.00 N ATOM 0 H ARG A 49 -3.793 -15.124 4.089 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.222 -12.563 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.810 -12.551 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.920 -13.752 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.501 -15.502 3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.008 -14.379 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.394 -14.867 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.967 -15.372 3.596 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.616 -12.562 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.567 -14.947 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.936 -13.849 1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.378 -11.158 3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.829 -11.712 2.610 1.00 0.00 H new ATOM 881 N GLN A 50 -4.503 -12.681 6.016 1.00 0.00 N ATOM 882 CA GLN A 50 -4.836 -11.882 7.190 1.00 0.00 C ATOM 883 C GLN A 50 -3.693 -10.936 7.546 1.00 0.00 C ATOM 884 O GLN A 50 -3.918 -9.839 8.058 1.00 0.00 O ATOM 885 CB GLN A 50 -5.150 -12.791 8.379 1.00 0.00 C ATOM 886 CG GLN A 50 -6.616 -13.184 8.473 1.00 0.00 C ATOM 887 CD GLN A 50 -7.526 -11.993 8.704 1.00 0.00 C ATOM 888 OE1 GLN A 50 -7.158 -11.039 9.389 1.00 0.00 O ATOM 889 NE2 GLN A 50 -8.723 -12.043 8.131 1.00 0.00 N ATOM 0 H GLN A 50 -4.493 -13.688 6.180 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.718 -11.286 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.544 -13.694 8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.858 -12.285 9.299 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.912 -13.690 7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.745 -13.898 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.987 -12.854 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.378 -11.271 8.251 1.00 0.00 H new ATOM 898 N LYS A 51 -2.467 -11.368 7.272 1.00 0.00 N ATOM 899 CA LYS A 51 -1.288 -10.560 7.562 1.00 0.00 C ATOM 900 C LYS A 51 -1.195 -9.372 6.610 1.00 0.00 C ATOM 901 O LYS A 51 -0.877 -8.257 7.023 1.00 0.00 O ATOM 902 CB LYS A 51 -0.022 -11.412 7.457 1.00 0.00 C ATOM 903 CG LYS A 51 1.206 -10.756 8.064 1.00 0.00 C ATOM 904 CD LYS A 51 2.296 -11.773 8.355 1.00 0.00 C ATOM 905 CE LYS A 51 2.012 -12.544 9.635 1.00 0.00 C ATOM 906 NZ LYS A 51 2.377 -11.760 10.847 1.00 0.00 N ATOM 0 H LYS A 51 -2.264 -12.274 6.849 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.380 -10.181 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.195 -12.367 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.174 -11.628 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.589 -9.997 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.928 -10.245 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.378 -12.469 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.256 -11.264 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.954 -12.804 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.570 -13.480 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.168 -12.320 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.392 -11.534 10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.826 -10.878 10.869 1.00 0.00 H new ATOM 920 N TRP A 52 -1.475 -9.618 5.336 1.00 0.00 N ATOM 921 CA TRP A 52 -1.424 -8.567 4.325 1.00 0.00 C ATOM 922 C TRP A 52 -2.616 -7.626 4.458 1.00 0.00 C ATOM 923 O TRP A 52 -2.501 -6.427 4.207 1.00 0.00 O ATOM 924 CB TRP A 52 -1.396 -9.180 2.924 1.00 0.00 C ATOM 925 CG TRP A 52 -0.149 -9.963 2.643 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.074 -11.254 2.202 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.200 -9.507 2.786 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.241 -11.627 2.062 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.043 -10.573 2.414 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.779 -8.301 3.191 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.431 -10.467 2.436 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.157 -8.198 3.213 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.970 -9.275 2.837 1.00 0.00 C ATOM 0 H TRP A 52 -1.740 -10.536 4.978 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.512 -7.991 4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.261 -9.832 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.491 -8.384 2.185 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.923 -11.888 1.994 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.567 -12.541 1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.161 -7.465 3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.060 -11.296 2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.615 -7.271 3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.044 -9.162 2.864 1.00 0.00 H new ATOM 944 N GLN A 53 -3.759 -8.177 4.854 1.00 0.00 N ATOM 945 CA GLN A 53 -4.971 -7.385 5.019 1.00 0.00 C ATOM 946 C GLN A 53 -4.764 -6.281 6.052 1.00 0.00 C ATOM 947 O GLN A 53 -5.029 -5.110 5.783 1.00 0.00 O ATOM 948 CB GLN A 53 -6.138 -8.280 5.439 1.00 0.00 C ATOM 949 CG GLN A 53 -7.503 -7.661 5.184 1.00 0.00 C ATOM 950 CD GLN A 53 -7.727 -6.393 5.984 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.952 -5.322 5.421 1.00 0.00 O ATOM 952 NE2 GLN A 53 -7.668 -6.509 7.306 1.00 0.00 N ATOM 0 H GLN A 53 -3.871 -9.168 5.066 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.205 -6.922 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.071 -9.226 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.045 -8.509 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.604 -7.439 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.279 -8.385 5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.479 -7.417 7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.812 -5.690 7.897 1.00 0.00 H new ATOM 961 N GLN A 54 -4.290 -6.665 7.233 1.00 0.00 N ATOM 962 CA GLN A 54 -4.049 -5.707 8.306 1.00 0.00 C ATOM 963 C GLN A 54 -3.075 -4.622 7.859 1.00 0.00 C ATOM 964 O GLN A 54 -3.356 -3.431 7.986 1.00 0.00 O ATOM 965 CB GLN A 54 -3.502 -6.422 9.543 1.00 0.00 C ATOM 966 CG GLN A 54 -2.309 -7.317 9.250 1.00 0.00 C ATOM 967 CD GLN A 54 -1.934 -8.194 10.429 1.00 0.00 C ATOM 968 OE1 GLN A 54 -2.754 -8.961 10.932 1.00 0.00 O ATOM 969 NE2 GLN A 54 -0.688 -8.084 10.876 1.00 0.00 N ATOM 0 H GLN A 54 -4.066 -7.631 7.471 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.999 -5.235 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.214 -5.677 10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.296 -7.023 9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.535 -7.948 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.454 -6.699 8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.041 -7.435 10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.378 -8.649 11.667 1.00 0.00 H new ATOM 978 N VAL A 55 -1.928 -5.043 7.334 1.00 0.00 N ATOM 979 CA VAL A 55 -0.912 -4.108 6.867 1.00 0.00 C ATOM 980 C VAL A 55 -1.425 -3.280 5.694 1.00 0.00 C ATOM 981 O VAL A 55 -1.077 -2.108 5.549 1.00 0.00 O ATOM 982 CB VAL A 55 0.373 -4.842 6.440 1.00 0.00 C ATOM 983 CG1 VAL A 55 0.063 -5.889 5.382 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.409 -3.850 5.934 1.00 0.00 C ATOM 0 H VAL A 55 -1.680 -6.026 7.222 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.683 -3.447 7.702 1.00 0.00 H new ATOM 0 HB VAL A 55 0.787 -5.352 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.983 -6.397 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.642 -6.616 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.374 -5.405 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.311 -4.385 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.008 -3.311 5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.652 -3.142 6.726 1.00 0.00 H new ATOM 994 N TRP A 56 -2.255 -3.896 4.861 1.00 0.00 N ATOM 995 CA TRP A 56 -2.817 -3.216 3.699 1.00 0.00 C ATOM 996 C TRP A 56 -3.488 -1.909 4.107 1.00 0.00 C ATOM 997 O TRP A 56 -3.275 -0.871 3.481 1.00 0.00 O ATOM 998 CB TRP A 56 -3.824 -4.121 2.990 1.00 0.00 C ATOM 999 CG TRP A 56 -4.582 -3.427 1.899 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.303 -3.455 0.562 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.741 -2.601 2.052 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.219 -2.695 -0.125 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.112 -2.162 0.766 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.502 -2.191 3.149 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.210 -1.333 0.551 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.592 -1.368 2.935 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.938 -0.947 1.644 1.00 0.00 C ATOM 0 H TRP A 56 -2.554 -4.865 4.968 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.001 -2.986 3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.298 -4.978 2.569 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.531 -4.510 3.723 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.483 -3.995 0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.232 -2.551 -1.135 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.243 -2.511 4.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.478 -1.006 -0.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.187 -1.044 3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.796 -0.305 1.509 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.298 -1.967 5.158 1.00 0.00 N ATOM 1019 CA GLN A 57 -5.001 -0.787 5.648 1.00 0.00 C ATOM 1020 C GLN A 57 -4.028 0.362 5.896 1.00 0.00 C ATOM 1021 O GLN A 57 -4.289 1.502 5.514 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.759 -1.115 6.935 1.00 0.00 C ATOM 1023 CG GLN A 57 -7.124 -0.452 7.023 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.538 -0.157 8.451 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.342 0.952 8.950 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.115 -1.150 9.118 1.00 0.00 N ATOM 0 H GLN A 57 -4.484 -2.819 5.687 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.714 -0.478 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.884 -2.195 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.158 -0.805 7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.110 0.477 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.869 -1.099 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.258 -2.053 8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.415 -1.010 10.083 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.906 0.052 6.538 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.895 1.059 6.838 1.00 0.00 C ATOM 1037 C GLU A 58 -1.411 1.741 5.561 1.00 0.00 C ATOM 1038 O GLU A 58 -1.258 2.962 5.516 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.712 0.424 7.571 1.00 0.00 C ATOM 1040 CG GLU A 58 -1.063 -0.103 8.952 1.00 0.00 C ATOM 1041 CD GLU A 58 -1.148 0.997 9.992 1.00 0.00 C ATOM 1042 OE1 GLU A 58 -0.088 1.545 10.362 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -2.272 1.309 10.436 1.00 0.00 O ATOM 0 H GLU A 58 -2.674 -0.888 6.860 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.349 1.812 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.319 -0.395 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.085 1.162 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.017 -0.628 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.313 -0.832 9.260 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.171 0.942 4.526 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.704 1.468 3.249 1.00 0.00 C ATOM 1052 C ILE A 59 -1.698 2.469 2.671 1.00 0.00 C ATOM 1053 O ILE A 59 -1.308 3.468 2.067 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.475 0.339 2.226 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.560 -0.656 2.754 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.030 0.917 0.891 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.674 -1.910 1.918 1.00 0.00 C ATOM 0 H ILE A 59 -1.292 -0.071 4.547 1.00 0.00 H new ATOM 0 HA ILE A 59 0.244 1.971 3.441 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.415 -0.191 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.533 -0.167 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.298 -0.933 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.128 0.107 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.799 1.590 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.900 1.469 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.426 -2.569 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.288 -2.422 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.966 -1.645 0.902 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.984 2.196 2.862 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.035 3.074 2.360 1.00 0.00 C ATOM 1071 C ASN A 60 -4.116 4.353 3.188 1.00 0.00 C ATOM 1072 O ASN A 60 -4.464 5.417 2.675 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.384 2.354 2.382 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.554 3.317 2.434 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.860 3.811 3.628 1.00 0.00 O flip ATOM 1076 ND2 ASN A 60 -7.174 3.614 1.413 1.00 0.00 N flip ATOM 0 H ASN A 60 -3.324 1.374 3.361 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.790 3.341 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.472 1.727 1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.424 1.691 3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.904 3.210 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.958 4.264 1.464 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.791 4.243 4.472 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.825 5.390 5.371 1.00 0.00 C ATOM 1085 C VAL A 61 -2.685 6.356 5.072 1.00 0.00 C ATOM 1086 O VAL A 61 -2.903 7.557 4.910 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.739 4.951 6.845 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.713 6.163 7.763 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.898 4.031 7.196 1.00 0.00 C ATOM 0 H VAL A 61 -3.501 3.370 4.913 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.777 5.894 5.205 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.811 4.398 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.652 5.833 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.846 6.780 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.623 6.747 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.821 3.731 8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.840 4.556 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.865 3.146 6.561 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.469 5.824 5.000 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.294 6.641 4.721 1.00 0.00 C ATOM 1101 C GLU A 62 -0.470 7.421 3.421 1.00 0.00 C ATOM 1102 O GLU A 62 -0.088 8.587 3.328 1.00 0.00 O ATOM 1103 CB GLU A 62 0.957 5.763 4.636 1.00 0.00 C ATOM 1104 CG GLU A 62 0.948 4.804 3.458 1.00 0.00 C ATOM 1105 CD GLU A 62 2.251 4.041 3.317 1.00 0.00 C ATOM 1106 OE1 GLU A 62 3.281 4.528 3.829 1.00 0.00 O ATOM 1107 OE2 GLU A 62 2.242 2.959 2.695 1.00 0.00 O ATOM 0 H GLU A 62 -1.272 4.832 5.131 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.175 7.352 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.836 6.404 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.053 5.191 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.128 4.096 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.757 5.362 2.541 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.050 6.767 2.420 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.278 7.399 1.126 1.00 0.00 C ATOM 1116 C ALA A 63 -2.160 8.635 1.266 1.00 0.00 C ATOM 1117 O ALA A 63 -2.026 9.595 0.508 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.907 6.407 0.158 1.00 0.00 C ATOM 0 H ALA A 63 -1.370 5.800 2.480 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.313 7.716 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.072 6.892 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.240 5.555 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.860 6.062 0.559 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.063 8.604 2.240 1.00 0.00 N ATOM 1125 CA LYS A 64 -3.967 9.722 2.481 1.00 0.00 C ATOM 1126 C LYS A 64 -3.198 10.955 2.945 1.00 0.00 C ATOM 1127 O LYS A 64 -3.478 12.072 2.511 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.017 9.340 3.528 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.298 10.149 3.428 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.248 9.564 2.397 1.00 0.00 C ATOM 1131 CE LYS A 64 -6.798 9.883 0.979 1.00 0.00 C ATOM 1132 NZ LYS A 64 -7.941 9.905 0.026 1.00 0.00 N ATOM 0 H LYS A 64 -3.188 7.816 2.876 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.467 9.959 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.256 8.282 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.591 9.472 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.788 10.177 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.059 11.179 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.307 8.483 2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.251 9.959 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.296 10.850 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.069 9.141 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.593 10.126 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.405 8.974 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.625 10.630 0.321 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.226 10.743 3.827 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.416 11.838 4.348 1.00 0.00 C ATOM 1148 C GLN A 65 -0.787 12.637 3.212 1.00 0.00 C ATOM 1149 O GLN A 65 -0.973 13.851 3.116 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.324 11.297 5.273 1.00 0.00 C ATOM 1151 CG GLN A 65 -0.829 10.926 6.658 1.00 0.00 C ATOM 1152 CD GLN A 65 -0.858 12.110 7.605 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -1.716 12.986 7.495 1.00 0.00 O ATOM 1154 NE2 GLN A 65 0.082 12.142 8.542 1.00 0.00 N ATOM 0 H GLN A 65 -1.981 9.824 4.195 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.068 12.501 4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.128 10.418 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.462 12.046 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.832 10.507 6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.192 10.147 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.774 11.394 8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.113 12.914 9.208 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.040 11.950 2.354 1.00 0.00 N ATOM 1164 CA VAL A 66 0.616 12.596 1.224 1.00 0.00 C ATOM 1165 C VAL A 66 -0.346 13.515 0.480 1.00 0.00 C ATOM 1166 O VAL A 66 0.047 14.566 -0.026 1.00 0.00 O ATOM 1167 CB VAL A 66 1.184 11.559 0.236 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.688 12.242 -1.026 1.00 0.00 C ATOM 1169 CG2 VAL A 66 2.292 10.749 0.893 1.00 0.00 C ATOM 0 H VAL A 66 0.126 10.946 2.420 1.00 0.00 H new ATOM 0 HA VAL A 66 1.436 13.187 1.632 1.00 0.00 H new ATOM 0 HB VAL A 66 0.383 10.875 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.085 11.493 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.866 12.773 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.475 12.950 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.682 10.021 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.095 11.417 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.894 10.228 1.764 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.611 13.113 0.419 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.633 13.900 -0.261 1.00 0.00 C ATOM 1181 C LYS A 67 -2.876 15.219 0.466 1.00 0.00 C ATOM 1182 O LYS A 67 -3.183 16.235 -0.158 1.00 0.00 O ATOM 1183 CB LYS A 67 -3.939 13.108 -0.353 1.00 0.00 C ATOM 1184 CG LYS A 67 -4.776 13.454 -1.572 1.00 0.00 C ATOM 1185 CD LYS A 67 -5.664 14.660 -1.315 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.911 14.630 -2.185 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.514 15.984 -2.336 1.00 0.00 N ATOM 0 H LYS A 67 -1.953 12.246 0.833 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.277 14.120 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.708 12.043 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.529 13.290 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.120 13.658 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.393 12.598 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.953 14.683 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.104 15.574 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.659 14.233 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.644 13.953 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.362 15.922 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.778 16.353 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.824 16.624 -2.778 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.736 15.196 1.787 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.939 16.390 2.598 1.00 0.00 C ATOM 1203 C ASP A 68 -1.748 17.337 2.478 1.00 0.00 C ATOM 1204 O ASP A 68 -1.901 18.495 2.089 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.156 16.008 4.063 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.988 17.030 4.811 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -3.747 18.242 4.627 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -4.881 16.619 5.581 1.00 0.00 O ATOM 0 H ASP A 68 -2.483 14.363 2.319 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.828 16.902 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.648 15.037 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.189 15.901 4.555 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.565 16.836 2.815 1.00 0.00 N ATOM 1214 CA ILE A 69 0.651 17.637 2.745 1.00 0.00 C ATOM 1215 C ILE A 69 0.791 18.306 1.382 1.00 0.00 C ATOM 1216 O ILE A 69 1.200 19.463 1.286 1.00 0.00 O ATOM 1217 CB ILE A 69 1.904 16.784 3.016 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.338 16.057 1.741 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.635 15.788 4.134 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.366 14.974 1.983 1.00 0.00 C ATOM 0 H ILE A 69 -0.422 15.879 3.139 1.00 0.00 H new ATOM 0 HA ILE A 69 0.569 18.403 3.517 1.00 0.00 H new ATOM 0 HB ILE A 69 2.713 17.443 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.461 15.615 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.746 16.784 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.530 15.192 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.368 16.326 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.814 15.131 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.627 14.502 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.259 15.413 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.954 14.226 2.660 1.00 0.00 H new ATOM 1232 N MET A 70 0.445 17.571 0.330 1.00 0.00 N ATOM 1233 CA MET A 70 0.529 18.095 -1.029 1.00 0.00 C ATOM 1234 C MET A 70 -0.525 19.173 -1.262 1.00 0.00 C ATOM 1235 O MET A 70 -0.395 19.997 -2.167 1.00 0.00 O ATOM 1236 CB MET A 70 0.353 16.965 -2.045 1.00 0.00 C ATOM 1237 CG MET A 70 -1.092 16.738 -2.458 1.00 0.00 C ATOM 1238 SD MET A 70 -1.571 17.729 -3.886 1.00 0.00 S ATOM 1239 CE MET A 70 -1.512 16.498 -5.187 1.00 0.00 C ATOM 0 H MET A 70 0.104 16.612 0.392 1.00 0.00 H new ATOM 0 HA MET A 70 1.515 18.542 -1.160 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.945 17.190 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.751 16.042 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.238 15.683 -2.688 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.747 16.976 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.084 16.940 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.895 15.659 -4.866 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.521 16.146 -5.401 1.00 0.00 H new