USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 421 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 43 THR OG1 : rot 124:sc= 0.342 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -5.59! C(o=-5.6!,f=-10!) USER MOD Single : A 6 THR OG1 : rot 178:sc= -1.27 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 154:sc= -1.94! USER MOD Single : A 12 MET CE :methyl 160:sc= -1.46 (180deg=-3.15!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.0329 (180deg=-1.14!) USER MOD Single : A 19 THR OG1 : rot 65:sc= -0.249! USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.0319 (180deg=-0.292) USER MOD Single : A 26 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 27 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0946 X(o=-0.095,f=-0.0076) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.0383 (180deg=-0.269) USER MOD Single : A 35 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 3 1.406 9.845 0.927 1.00 0.00 N ATOM 36 CA GLN A 3 0.762 8.797 1.712 1.00 0.00 C ATOM 37 C GLN A 3 0.969 7.431 1.064 1.00 0.00 C ATOM 38 O GLN A 3 0.050 6.612 1.005 1.00 0.00 O ATOM 39 CB GLN A 3 -0.734 9.094 1.860 1.00 0.00 C ATOM 40 CG GLN A 3 -1.131 9.512 3.267 1.00 0.00 C ATOM 41 CD GLN A 3 -0.738 8.488 4.312 1.00 0.00 C ATOM 42 OE1 GLN A 3 -1.141 7.327 4.244 1.00 0.00 O ATOM 43 NE2 GLN A 3 0.055 8.914 5.290 1.00 0.00 N ATOM 0 HA GLN A 3 1.218 8.778 2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.010 9.885 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.302 8.208 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.661 10.467 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.209 9.669 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.366 9.885 5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.353 8.270 6.022 1.00 0.00 H new ATOM 52 N ARG A 4 2.183 7.191 0.577 1.00 0.00 N ATOM 53 CA ARG A 4 2.512 5.923 -0.068 1.00 0.00 C ATOM 54 C ARG A 4 3.004 4.903 0.951 1.00 0.00 C ATOM 55 O ARG A 4 4.205 4.669 1.083 1.00 0.00 O ATOM 56 CB ARG A 4 3.569 6.135 -1.148 1.00 0.00 C ATOM 57 CG ARG A 4 4.812 6.864 -0.655 1.00 0.00 C ATOM 58 CD ARG A 4 6.061 6.012 -0.810 1.00 0.00 C ATOM 59 NE ARG A 4 7.189 6.784 -1.328 1.00 0.00 N ATOM 60 CZ ARG A 4 8.443 6.341 -1.348 1.00 0.00 C ATOM 61 NH1 ARG A 4 8.737 5.134 -0.879 1.00 0.00 N ATOM 62 NH2 ARG A 4 9.409 7.105 -1.840 1.00 0.00 N ATOM 0 H ARG A 4 2.955 7.857 0.616 1.00 0.00 H new ATOM 0 HA ARG A 4 1.604 5.535 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.863 5.166 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.128 6.701 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.934 7.793 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.684 7.135 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.329 5.582 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.851 5.180 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 4 7.004 7.717 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.999 4.540 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.701 4.801 -0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.190 8.033 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.370 6.765 -1.855 1.00 0.00 H new ATOM 76 N ILE A 5 2.064 4.308 1.670 1.00 0.00 N ATOM 77 CA ILE A 5 2.386 3.315 2.684 1.00 0.00 C ATOM 78 C ILE A 5 2.663 1.957 2.066 1.00 0.00 C ATOM 79 O ILE A 5 2.332 1.703 0.908 1.00 0.00 O ATOM 80 CB ILE A 5 1.241 3.168 3.704 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.752 4.543 4.130 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.695 2.366 4.915 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.722 4.592 4.463 1.00 0.00 C ATOM 0 H ILE A 5 1.067 4.497 1.569 1.00 0.00 H new ATOM 0 HA ILE A 5 3.284 3.669 3.191 1.00 0.00 H new ATOM 0 HB ILE A 5 0.420 2.629 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.322 4.867 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.958 5.255 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.870 2.275 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.010 1.373 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.530 2.875 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.995 5.605 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.303 4.300 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.933 3.906 5.284 1.00 0.00 H new ATOM 95 N THR A 6 3.273 1.093 2.856 1.00 0.00 N ATOM 96 CA THR A 6 3.606 -0.255 2.412 1.00 0.00 C ATOM 97 C THR A 6 2.372 -1.151 2.433 1.00 0.00 C ATOM 98 O THR A 6 1.478 -0.972 3.261 1.00 0.00 O ATOM 99 CB THR A 6 4.702 -0.851 3.299 1.00 0.00 C ATOM 100 OG1 THR A 6 4.733 -0.207 4.559 1.00 0.00 O ATOM 101 CG2 THR A 6 6.085 -0.743 2.693 1.00 0.00 C ATOM 0 H THR A 6 3.551 1.299 3.815 1.00 0.00 H new ATOM 0 HA THR A 6 3.973 -0.195 1.387 1.00 0.00 H new ATOM 0 HB THR A 6 4.449 -1.906 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.417 -0.624 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.815 -1.184 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.108 -1.274 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.329 0.307 2.529 1.00 0.00 H new ATOM 109 N LEU A 7 2.328 -2.115 1.519 1.00 0.00 N ATOM 110 CA LEU A 7 1.202 -3.037 1.435 1.00 0.00 C ATOM 111 C LEU A 7 1.082 -3.870 2.707 1.00 0.00 C ATOM 112 O LEU A 7 -0.019 -4.091 3.213 1.00 0.00 O ATOM 113 CB LEU A 7 1.358 -3.958 0.222 1.00 0.00 C ATOM 114 CG LEU A 7 0.188 -4.911 -0.021 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.995 -4.162 -0.614 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.612 -6.052 -0.934 1.00 0.00 C ATOM 0 H LEU A 7 3.059 -2.278 0.826 1.00 0.00 H new ATOM 0 HA LEU A 7 0.292 -2.448 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.496 -3.343 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.267 -4.547 0.346 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.119 -5.333 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.819 -4.856 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.313 -3.380 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.702 -3.712 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.233 -6.721 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.945 -5.648 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.429 -6.605 -0.470 1.00 0.00 H new ATOM 128 N LYS A 8 2.218 -4.328 3.220 1.00 0.00 N ATOM 129 CA LYS A 8 2.239 -5.137 4.432 1.00 0.00 C ATOM 130 C LYS A 8 1.618 -4.382 5.603 1.00 0.00 C ATOM 131 O LYS A 8 0.953 -4.973 6.454 1.00 0.00 O ATOM 132 CB LYS A 8 3.674 -5.540 4.775 1.00 0.00 C ATOM 133 CG LYS A 8 3.773 -6.488 5.961 1.00 0.00 C ATOM 134 CD LYS A 8 4.403 -7.815 5.568 1.00 0.00 C ATOM 135 CE LYS A 8 5.329 -8.337 6.654 1.00 0.00 C ATOM 136 NZ LYS A 8 5.239 -9.816 6.798 1.00 0.00 N ATOM 0 H LYS A 8 3.137 -4.152 2.815 1.00 0.00 H new ATOM 0 HA LYS A 8 1.649 -6.035 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.128 -6.012 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.254 -4.642 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.365 -6.024 6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.778 -6.664 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.619 -8.547 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.962 -7.693 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.356 -8.057 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.078 -7.864 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.886 -10.132 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.265 -10.082 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.504 -10.269 5.900 1.00 0.00 H new ATOM 150 N ASP A 9 1.837 -3.071 5.640 1.00 0.00 N ATOM 151 CA ASP A 9 1.299 -2.233 6.704 1.00 0.00 C ATOM 152 C ASP A 9 -0.212 -2.079 6.567 1.00 0.00 C ATOM 153 O ASP A 9 -0.964 -2.361 7.500 1.00 0.00 O ATOM 154 CB ASP A 9 1.962 -0.857 6.685 1.00 0.00 C ATOM 155 CG ASP A 9 3.465 -0.936 6.878 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.038 -2.021 6.645 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.069 0.088 7.262 1.00 0.00 O ATOM 0 H ASP A 9 2.385 -2.566 4.943 1.00 0.00 H new ATOM 0 HA ASP A 9 1.513 -2.721 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.746 -0.366 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.530 -0.238 7.471 1.00 0.00 H new ATOM 162 N TYR A 10 -0.648 -1.624 5.397 1.00 0.00 N ATOM 163 CA TYR A 10 -2.067 -1.424 5.134 1.00 0.00 C ATOM 164 C TYR A 10 -2.848 -2.721 5.319 1.00 0.00 C ATOM 165 O TYR A 10 -4.008 -2.707 5.729 1.00 0.00 O ATOM 166 CB TYR A 10 -2.274 -0.888 3.717 1.00 0.00 C ATOM 167 CG TYR A 10 -3.656 -0.325 3.475 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.771 -1.154 3.461 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.845 1.034 3.259 1.00 0.00 C ATOM 170 CE1 TYR A 10 -6.036 -0.643 3.240 1.00 0.00 C ATOM 171 CE2 TYR A 10 -5.108 1.552 3.037 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.198 0.710 3.028 1.00 0.00 C ATOM 173 OH TYR A 10 -7.458 1.222 2.807 1.00 0.00 O ATOM 0 H TYR A 10 -0.037 -1.387 4.615 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.442 -0.693 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.535 -0.111 3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.089 -1.691 3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.647 -2.214 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.992 1.697 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.893 -1.300 3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.239 2.611 2.872 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.482 2.162 3.083 1.00 0.00 H new ATOM 183 N ALA A 11 -2.204 -3.843 5.012 1.00 0.00 N ATOM 184 CA ALA A 11 -2.840 -5.148 5.145 1.00 0.00 C ATOM 185 C ALA A 11 -3.001 -5.536 6.611 1.00 0.00 C ATOM 186 O ALA A 11 -4.034 -6.072 7.011 1.00 0.00 O ATOM 187 CB ALA A 11 -2.036 -6.205 4.403 1.00 0.00 C ATOM 0 H ALA A 11 -1.244 -3.874 4.670 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.834 -5.085 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.522 -7.174 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.979 -5.943 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.030 -6.256 4.819 1.00 0.00 H new ATOM 193 N MET A 12 -1.972 -5.267 7.405 1.00 0.00 N ATOM 194 CA MET A 12 -1.996 -5.591 8.823 1.00 0.00 C ATOM 195 C MET A 12 -2.728 -4.517 9.625 1.00 0.00 C ATOM 196 O MET A 12 -3.224 -4.777 10.721 1.00 0.00 O ATOM 197 CB MET A 12 -0.570 -5.761 9.352 1.00 0.00 C ATOM 198 CG MET A 12 -0.234 -7.190 9.747 1.00 0.00 C ATOM 199 SD MET A 12 -0.070 -7.400 11.531 1.00 0.00 S ATOM 200 CE MET A 12 -1.542 -6.559 12.107 1.00 0.00 C ATOM 0 H MET A 12 -1.109 -4.824 7.089 1.00 0.00 H new ATOM 0 HA MET A 12 -2.536 -6.530 8.943 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.134 -5.429 8.589 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.432 -5.112 10.217 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.012 -7.857 9.377 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.697 -7.487 9.263 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.779 -6.891 13.118 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.369 -5.483 12.110 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.376 -6.790 11.444 1.00 0.00 H new ATOM 210 N ARG A 13 -2.783 -3.310 9.076 1.00 0.00 N ATOM 211 CA ARG A 13 -3.446 -2.195 9.742 1.00 0.00 C ATOM 212 C ARG A 13 -4.943 -2.184 9.445 1.00 0.00 C ATOM 213 O ARG A 13 -5.763 -2.432 10.328 1.00 0.00 O ATOM 214 CB ARG A 13 -2.817 -0.869 9.310 1.00 0.00 C ATOM 215 CG ARG A 13 -2.970 0.239 10.339 1.00 0.00 C ATOM 216 CD ARG A 13 -2.911 1.615 9.693 1.00 0.00 C ATOM 217 NE ARG A 13 -1.658 2.305 9.986 1.00 0.00 N ATOM 218 CZ ARG A 13 -1.407 3.566 9.643 1.00 0.00 C ATOM 219 NH1 ARG A 13 -2.320 4.278 8.992 1.00 0.00 N ATOM 220 NH2 ARG A 13 -0.242 4.118 9.949 1.00 0.00 N ATOM 0 H ARG A 13 -2.376 -3.078 8.170 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.314 -2.321 10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.757 -1.026 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.272 -0.549 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.919 0.122 10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.182 0.153 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.025 1.514 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.748 2.217 10.047 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.932 1.790 10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.218 3.859 8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.123 5.244 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.464 3.576 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.051 5.085 9.686 1.00 0.00 H new ATOM 234 N PHE A 14 -5.292 -1.880 8.200 1.00 0.00 N ATOM 235 CA PHE A 14 -6.677 -1.816 7.782 1.00 0.00 C ATOM 236 C PHE A 14 -7.243 -3.207 7.506 1.00 0.00 C ATOM 237 O PHE A 14 -8.405 -3.484 7.802 1.00 0.00 O ATOM 238 CB PHE A 14 -6.771 -0.949 6.537 1.00 0.00 C ATOM 239 CG PHE A 14 -6.194 0.422 6.736 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.956 1.434 7.293 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.887 0.700 6.375 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.429 2.685 7.483 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.359 1.952 6.564 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.131 2.942 7.117 1.00 0.00 C ATOM 0 H PHE A 14 -4.622 -1.673 7.459 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.270 -1.381 8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.249 -1.442 5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.816 -0.859 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.978 1.236 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.276 -0.077 5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.033 3.466 7.919 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.338 2.158 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.716 3.928 7.265 1.00 0.00 H new ATOM 254 N GLY A 15 -6.415 -4.078 6.936 1.00 0.00 N ATOM 255 CA GLY A 15 -6.858 -5.426 6.630 1.00 0.00 C ATOM 256 C GLY A 15 -6.792 -5.736 5.149 1.00 0.00 C ATOM 257 O GLY A 15 -7.242 -4.942 4.321 1.00 0.00 O ATOM 0 H GLY A 15 -5.448 -3.875 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.241 -6.140 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.882 -5.557 6.980 1.00 0.00 H new ATOM 261 N GLN A 16 -6.230 -6.892 4.811 1.00 0.00 N ATOM 262 CA GLN A 16 -6.107 -7.307 3.418 1.00 0.00 C ATOM 263 C GLN A 16 -7.467 -7.314 2.727 1.00 0.00 C ATOM 264 O GLN A 16 -7.564 -7.089 1.521 1.00 0.00 O ATOM 265 CB GLN A 16 -5.474 -8.697 3.332 1.00 0.00 C ATOM 266 CG GLN A 16 -6.221 -9.755 4.128 1.00 0.00 C ATOM 267 CD GLN A 16 -5.290 -10.702 4.859 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.952 -11.772 4.353 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.871 -10.312 6.057 1.00 0.00 N ATOM 0 H GLN A 16 -5.852 -7.559 5.484 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.465 -6.589 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.431 -9.004 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.446 -8.642 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.876 -9.266 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.859 -10.327 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.177 -9.416 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.243 -10.908 6.597 1.00 0.00 H new ATOM 278 N THR A 17 -8.517 -7.573 3.502 1.00 0.00 N ATOM 279 CA THR A 17 -9.873 -7.608 2.967 1.00 0.00 C ATOM 280 C THR A 17 -10.320 -6.215 2.544 1.00 0.00 C ATOM 281 O THR A 17 -10.870 -6.032 1.454 1.00 0.00 O ATOM 282 CB THR A 17 -10.830 -8.179 4.009 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.430 -9.475 4.410 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.260 -8.277 3.516 1.00 0.00 C ATOM 0 H THR A 17 -8.454 -7.762 4.502 1.00 0.00 H new ATOM 0 HA THR A 17 -9.883 -8.251 2.087 1.00 0.00 H new ATOM 0 HB THR A 17 -10.792 -7.480 4.844 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.058 -9.819 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.889 -8.690 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.621 -7.284 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.300 -8.927 2.642 1.00 0.00 H new ATOM 292 N LYS A 18 -10.100 -5.235 3.413 1.00 0.00 N ATOM 293 CA LYS A 18 -10.480 -3.857 3.131 1.00 0.00 C ATOM 294 C LYS A 18 -9.646 -3.275 1.998 1.00 0.00 C ATOM 295 O LYS A 18 -10.130 -2.476 1.199 1.00 0.00 O ATOM 296 CB LYS A 18 -10.330 -2.996 4.386 1.00 0.00 C ATOM 297 CG LYS A 18 -11.190 -1.743 4.373 1.00 0.00 C ATOM 298 CD LYS A 18 -10.520 -0.596 5.111 1.00 0.00 C ATOM 299 CE LYS A 18 -10.450 -0.858 6.606 1.00 0.00 C ATOM 300 NZ LYS A 18 -10.310 0.404 7.387 1.00 0.00 N ATOM 0 H LYS A 18 -9.658 -5.371 4.322 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.525 -3.856 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.588 -3.594 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.285 -2.707 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.387 -1.447 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.154 -1.958 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.514 -0.449 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.071 0.326 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.350 -1.384 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.605 -1.513 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.779 0.214 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.800 1.109 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.253 0.770 7.627 1.00 0.00 H new ATOM 314 N THR A 19 -8.381 -3.680 1.934 1.00 0.00 N ATOM 315 CA THR A 19 -7.475 -3.198 0.898 1.00 0.00 C ATOM 316 C THR A 19 -7.999 -3.548 -0.491 1.00 0.00 C ATOM 317 O THR A 19 -8.125 -2.680 -1.355 1.00 0.00 O ATOM 318 CB THR A 19 -6.078 -3.791 1.094 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.846 -4.086 2.460 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.969 -2.874 0.627 1.00 0.00 C ATOM 0 H THR A 19 -7.961 -4.341 2.588 1.00 0.00 H new ATOM 0 HA THR A 19 -7.416 -2.113 0.981 1.00 0.00 H new ATOM 0 HB THR A 19 -6.059 -4.696 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.464 -4.788 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.005 -3.354 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.092 -2.667 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.010 -1.939 1.186 1.00 0.00 H new ATOM 328 N ALA A 20 -8.302 -4.826 -0.698 1.00 0.00 N ATOM 329 CA ALA A 20 -8.812 -5.291 -1.982 1.00 0.00 C ATOM 330 C ALA A 20 -10.100 -4.573 -2.351 1.00 0.00 C ATOM 331 O ALA A 20 -10.400 -4.376 -3.529 1.00 0.00 O ATOM 332 CB ALA A 20 -9.030 -6.796 -1.947 1.00 0.00 C ATOM 0 H ALA A 20 -8.203 -5.557 0.007 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.070 -5.062 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.411 -7.131 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.084 -7.296 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.751 -7.041 -1.167 1.00 0.00 H new ATOM 338 N LYS A 21 -10.870 -4.186 -1.337 1.00 0.00 N ATOM 339 CA LYS A 21 -12.130 -3.490 -1.556 1.00 0.00 C ATOM 340 C LYS A 21 -11.890 -2.056 -2.015 1.00 0.00 C ATOM 341 O LYS A 21 -12.580 -1.553 -2.900 1.00 0.00 O ATOM 342 CB LYS A 21 -12.970 -3.497 -0.272 1.00 0.00 C ATOM 343 CG LYS A 21 -14.160 -4.439 -0.329 1.00 0.00 C ATOM 344 CD LYS A 21 -15.360 -3.870 0.416 1.00 0.00 C ATOM 345 CE LYS A 21 -16.630 -3.958 -0.416 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.550 -3.106 -1.636 1.00 0.00 N ATOM 0 H LYS A 21 -10.641 -4.344 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.674 -4.014 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.334 -3.779 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.327 -2.486 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.430 -4.623 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.885 -5.401 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.499 -4.413 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.167 -2.829 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.804 -4.994 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.483 -3.649 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.510 -2.847 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.010 -2.243 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.074 -3.632 -2.396 1.00 0.00 H new ATOM 360 N ASP A 22 -10.900 -1.402 -1.409 1.00 0.00 N ATOM 361 CA ASP A 22 -10.570 -0.026 -1.757 1.00 0.00 C ATOM 362 C ASP A 22 -9.726 0.027 -3.023 1.00 0.00 C ATOM 363 O ASP A 22 -9.793 0.989 -3.786 1.00 0.00 O ATOM 364 CB ASP A 22 -9.834 0.647 -0.599 1.00 0.00 C ATOM 365 CG ASP A 22 -10.740 1.530 0.233 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.480 2.347 -0.358 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.710 1.405 1.475 1.00 0.00 O ATOM 0 H ASP A 22 -10.315 -1.804 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.499 0.512 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.393 -0.118 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.013 1.245 -0.994 1.00 0.00 H new ATOM 372 N LEU A 23 -8.929 -1.014 -3.238 1.00 0.00 N ATOM 373 CA LEU A 23 -8.065 -1.085 -4.412 1.00 0.00 C ATOM 374 C LEU A 23 -8.853 -1.530 -5.640 1.00 0.00 C ATOM 375 O LEU A 23 -8.690 -0.977 -6.727 1.00 0.00 O ATOM 376 CB LEU A 23 -6.904 -2.048 -4.157 1.00 0.00 C ATOM 377 CG LEU A 23 -5.638 -1.399 -3.591 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.564 -1.598 -2.086 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.400 -1.967 -4.266 1.00 0.00 C ATOM 0 H LEU A 23 -8.863 -1.820 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.666 -0.089 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.238 -2.821 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.652 -2.545 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.680 -0.329 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.658 -1.130 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.435 -1.143 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.546 -2.664 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.510 -1.494 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.353 -3.042 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.448 -1.772 -5.337 1.00 0.00 H new ATOM 391 N GLY A 24 -9.706 -2.533 -5.459 1.00 0.00 N ATOM 392 CA GLY A 24 -10.500 -3.033 -6.562 1.00 0.00 C ATOM 393 C GLY A 24 -9.982 -4.349 -7.103 1.00 0.00 C ATOM 394 O GLY A 24 -10.140 -4.651 -8.286 1.00 0.00 O ATOM 0 H GLY A 24 -9.860 -3.007 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.532 -3.160 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.509 -2.294 -7.363 1.00 0.00 H new ATOM 398 N VAL A 25 -9.351 -5.136 -6.237 1.00 0.00 N ATOM 399 CA VAL A 25 -8.802 -6.426 -6.633 1.00 0.00 C ATOM 400 C VAL A 25 -9.258 -7.531 -5.686 1.00 0.00 C ATOM 401 O VAL A 25 -10.000 -7.282 -4.737 1.00 0.00 O ATOM 402 CB VAL A 25 -7.262 -6.396 -6.663 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.766 -5.620 -7.873 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.714 -5.800 -5.375 1.00 0.00 C ATOM 0 H VAL A 25 -9.208 -4.901 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.174 -6.633 -7.636 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.898 -7.420 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.676 -5.610 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.128 -6.097 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.138 -4.597 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.625 -5.787 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.085 -4.782 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.039 -6.404 -4.528 1.00 0.00 H new ATOM 414 N GLN A 26 -8.804 -8.752 -5.947 1.00 0.00 N ATOM 415 CA GLN A 26 -9.163 -9.893 -5.118 1.00 0.00 C ATOM 416 C GLN A 26 -8.141 -10.093 -4.005 1.00 0.00 C ATOM 417 O GLN A 26 -6.937 -9.948 -4.218 1.00 0.00 O ATOM 418 CB GLN A 26 -9.261 -11.160 -5.971 1.00 0.00 C ATOM 419 CG GLN A 26 -10.660 -11.446 -6.475 1.00 0.00 C ATOM 420 CD GLN A 26 -11.040 -12.911 -6.352 1.00 0.00 C ATOM 421 OE1 GLN A 26 -10.640 -13.589 -5.405 1.00 0.00 O ATOM 422 NE2 GLN A 26 -11.810 -13.405 -7.313 1.00 0.00 N ATOM 0 H GLN A 26 -8.186 -8.975 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.135 -9.694 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.589 -11.066 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.915 -12.011 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.374 -10.842 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.735 -11.142 -7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.118 -12.806 -8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.094 -14.384 -7.286 1.00 0.00 H new ATOM 431 N GLN A 27 -8.631 -10.427 -2.818 1.00 0.00 N ATOM 432 CA GLN A 27 -7.767 -10.647 -1.662 1.00 0.00 C ATOM 433 C GLN A 27 -6.699 -11.695 -1.965 1.00 0.00 C ATOM 434 O GLN A 27 -5.645 -11.722 -1.330 1.00 0.00 O ATOM 435 CB GLN A 27 -8.596 -11.080 -0.452 1.00 0.00 C ATOM 436 CG GLN A 27 -9.329 -9.933 0.224 1.00 0.00 C ATOM 437 CD GLN A 27 -10.800 -9.895 -0.129 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.420 -10.933 -0.358 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.370 -8.696 -0.175 1.00 0.00 N ATOM 0 H GLN A 27 -9.625 -10.552 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.268 -9.706 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.323 -11.828 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.940 -11.560 0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.221 -10.024 1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.865 -8.990 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.818 -7.861 0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.359 -8.610 -0.407 1.00 0.00 H new ATOM 448 N SER A 28 -6.980 -12.553 -2.938 1.00 0.00 N ATOM 449 CA SER A 28 -6.045 -13.602 -3.326 1.00 0.00 C ATOM 450 C SER A 28 -4.746 -13.003 -3.856 1.00 0.00 C ATOM 451 O SER A 28 -3.676 -13.596 -3.717 1.00 0.00 O ATOM 452 CB SER A 28 -6.672 -14.507 -4.387 1.00 0.00 C ATOM 453 OG SER A 28 -6.678 -13.879 -5.656 1.00 0.00 O ATOM 0 H SER A 28 -7.848 -12.543 -3.473 1.00 0.00 H new ATOM 0 HA SER A 28 -5.817 -14.196 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.117 -15.443 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.692 -14.758 -4.098 1.00 0.00 H new ATOM 0 HG SER A 28 -7.083 -14.480 -6.316 1.00 0.00 H new ATOM 459 N ALA A 29 -4.848 -11.825 -4.463 1.00 0.00 N ATOM 460 CA ALA A 29 -3.680 -11.146 -5.014 1.00 0.00 C ATOM 461 C ALA A 29 -2.862 -10.480 -3.914 1.00 0.00 C ATOM 462 O ALA A 29 -1.632 -10.495 -3.947 1.00 0.00 O ATOM 463 CB ALA A 29 -4.107 -10.120 -6.053 1.00 0.00 C ATOM 0 H ALA A 29 -5.726 -11.321 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.050 -11.894 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.225 -9.621 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.641 -10.621 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.761 -9.382 -5.588 1.00 0.00 H new ATOM 469 N ILE A 30 -3.552 -9.903 -2.937 1.00 0.00 N ATOM 470 CA ILE A 30 -2.884 -9.240 -1.823 1.00 0.00 C ATOM 471 C ILE A 30 -2.088 -10.249 -1.003 1.00 0.00 C ATOM 472 O ILE A 30 -1.053 -9.918 -0.426 1.00 0.00 O ATOM 473 CB ILE A 30 -3.896 -8.506 -0.912 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.472 -7.284 -1.633 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.243 -8.086 0.398 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.335 -7.630 -2.826 1.00 0.00 C ATOM 0 H ILE A 30 -4.571 -9.881 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.203 -8.499 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.709 -9.195 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.063 -6.701 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.651 -6.648 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.975 -7.572 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.877 -8.969 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.409 -7.416 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.707 -6.713 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.744 -8.186 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.178 -8.240 -2.501 1.00 0.00 H new ATOM 488 N ASN A 31 -2.579 -11.484 -0.959 1.00 0.00 N ATOM 489 CA ASN A 31 -1.913 -12.544 -0.215 1.00 0.00 C ATOM 490 C ASN A 31 -0.596 -12.928 -0.882 1.00 0.00 C ATOM 491 O ASN A 31 0.427 -13.076 -0.215 1.00 0.00 O ATOM 492 CB ASN A 31 -2.826 -13.769 -0.107 1.00 0.00 C ATOM 493 CG ASN A 31 -3.085 -14.173 1.332 1.00 0.00 C ATOM 494 OD1 ASN A 31 -4.228 -14.379 1.735 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.017 -14.288 2.115 1.00 0.00 N ATOM 0 H ASN A 31 -3.436 -11.774 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.696 -12.174 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.775 -13.555 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.373 -14.605 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.128 -14.557 3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.087 -14.107 1.738 1.00 0.00 H new ATOM 502 N LYS A 32 -0.631 -13.086 -2.201 1.00 0.00 N ATOM 503 CA LYS A 32 0.559 -13.453 -2.958 1.00 0.00 C ATOM 504 C LYS A 32 1.547 -12.297 -3.025 1.00 0.00 C ATOM 505 O LYS A 32 2.752 -12.502 -3.176 1.00 0.00 O ATOM 506 CB LYS A 32 0.176 -13.886 -4.374 1.00 0.00 C ATOM 507 CG LYS A 32 -0.735 -15.103 -4.413 1.00 0.00 C ATOM 508 CD LYS A 32 0.066 -16.396 -4.458 1.00 0.00 C ATOM 509 CE LYS A 32 -0.724 -17.517 -5.110 1.00 0.00 C ATOM 510 NZ LYS A 32 -0.896 -17.297 -6.574 1.00 0.00 N ATOM 0 H LYS A 32 -1.471 -12.966 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 32 1.037 -14.286 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.319 -13.056 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.084 -14.104 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.381 -15.104 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.384 -15.045 -5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.992 -16.233 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.346 -16.688 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.214 -18.466 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.703 -17.594 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.108 -18.203 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.680 -16.633 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.020 -16.901 -6.971 1.00 0.00 H new ATOM 524 N TRP A 33 1.029 -11.082 -2.918 1.00 0.00 N ATOM 525 CA TRP A 33 1.845 -9.889 -2.972 1.00 0.00 C ATOM 526 C TRP A 33 2.760 -9.784 -1.755 1.00 0.00 C ATOM 527 O TRP A 33 3.947 -9.488 -1.882 1.00 0.00 O ATOM 528 CB TRP A 33 0.923 -8.684 -3.053 1.00 0.00 C ATOM 529 CG TRP A 33 0.254 -8.548 -4.373 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.567 -9.225 -5.498 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.852 -7.711 -4.696 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.259 -8.846 -6.528 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.144 -7.912 -6.057 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.616 -6.804 -3.969 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.171 -7.238 -6.705 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.642 -6.131 -4.610 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.909 -6.351 -5.968 1.00 0.00 C ATOM 0 H TRP A 33 0.033 -10.901 -2.792 1.00 0.00 H new ATOM 0 HA TRP A 33 2.488 -9.931 -3.851 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.164 -8.762 -2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.497 -7.780 -2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.355 -9.960 -5.577 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.220 -9.201 -7.484 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.412 -6.628 -2.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.380 -7.407 -7.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -3.245 -5.427 -4.056 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.714 -5.810 -6.443 1.00 0.00 H new ATOM 548 N ILE A 34 2.197 -10.030 -0.576 1.00 0.00 N ATOM 549 CA ILE A 34 2.960 -9.962 0.663 1.00 0.00 C ATOM 550 C ILE A 34 3.726 -11.259 0.910 1.00 0.00 C ATOM 551 O ILE A 34 4.780 -11.256 1.545 1.00 0.00 O ATOM 552 CB ILE A 34 2.046 -9.683 1.873 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.129 -8.495 1.581 1.00 0.00 C ATOM 554 CG2 ILE A 34 2.879 -9.424 3.119 1.00 0.00 C ATOM 555 CD1 ILE A 34 -0.080 -8.427 2.491 1.00 0.00 C ATOM 0 H ILE A 34 1.215 -10.278 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 34 3.667 -9.140 0.553 1.00 0.00 H new ATOM 0 HB ILE A 34 1.426 -10.562 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.701 -7.572 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.792 -8.552 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.219 -9.229 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.494 -10.298 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.522 -8.559 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.686 -7.560 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.674 -9.334 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.249 -8.338 3.527 1.00 0.00 H new ATOM 567 N HIS A 35 3.191 -12.363 0.400 1.00 0.00 N ATOM 568 CA HIS A 35 3.824 -13.666 0.564 1.00 0.00 C ATOM 569 C HIS A 35 5.175 -13.707 -0.134 1.00 0.00 C ATOM 570 O HIS A 35 6.202 -13.995 0.479 1.00 0.00 O ATOM 571 CB HIS A 35 2.916 -14.765 0.011 1.00 0.00 C ATOM 572 CG HIS A 35 2.137 -15.489 1.064 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.993 -15.021 2.353 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.454 -16.657 1.012 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.257 -15.869 3.049 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.917 -16.870 2.258 1.00 0.00 N ATOM 0 H HIS A 35 2.320 -12.381 -0.131 1.00 0.00 H new ATOM 0 HA HIS A 35 3.984 -13.835 1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.221 -14.324 -0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.524 -15.484 -0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.351 -17.301 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.981 -15.762 4.088 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.348 -17.672 2.529 1.00 0.00 H new ATOM 585 N ALA A 36 5.154 -13.415 -1.420 1.00 0.00 N ATOM 586 CA ALA A 36 6.367 -13.413 -2.231 1.00 0.00 C ATOM 587 C ALA A 36 7.306 -12.279 -1.825 1.00 0.00 C ATOM 588 O ALA A 36 8.499 -12.314 -2.122 1.00 0.00 O ATOM 589 CB ALA A 36 6.014 -13.306 -3.706 1.00 0.00 C ATOM 0 H ALA A 36 4.306 -13.174 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 36 6.888 -14.355 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.928 -13.306 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.394 -14.155 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.466 -12.380 -3.883 1.00 0.00 H new ATOM 595 N GLY A 37 6.761 -11.278 -1.144 1.00 0.00 N ATOM 596 CA GLY A 37 7.566 -10.152 -0.709 1.00 0.00 C ATOM 597 C GLY A 37 7.582 -9.024 -1.722 1.00 0.00 C ATOM 598 O GLY A 37 8.546 -8.262 -1.798 1.00 0.00 O ATOM 0 H GLY A 37 5.776 -11.226 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.180 -9.779 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.587 -10.488 -0.528 1.00 0.00 H new ATOM 602 N ARG A 38 6.512 -8.916 -2.502 1.00 0.00 N ATOM 603 CA ARG A 38 6.405 -7.874 -3.515 1.00 0.00 C ATOM 604 C ARG A 38 6.349 -6.493 -2.870 1.00 0.00 C ATOM 605 O ARG A 38 5.375 -6.148 -2.201 1.00 0.00 O ATOM 606 CB ARG A 38 5.164 -8.097 -4.380 1.00 0.00 C ATOM 607 CG ARG A 38 5.227 -7.398 -5.729 1.00 0.00 C ATOM 608 CD ARG A 38 6.437 -7.849 -6.535 1.00 0.00 C ATOM 609 NE ARG A 38 7.421 -6.781 -6.687 1.00 0.00 N ATOM 610 CZ ARG A 38 8.630 -6.957 -7.217 1.00 0.00 C ATOM 611 NH1 ARG A 38 9.006 -8.155 -7.648 1.00 0.00 N ATOM 612 NH2 ARG A 38 9.465 -5.932 -7.319 1.00 0.00 N ATOM 0 H ARG A 38 5.706 -9.539 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 38 7.292 -7.925 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.031 -9.167 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.286 -7.745 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.316 -7.606 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.270 -6.319 -5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.902 -8.703 -6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.112 -8.186 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 38 7.168 -5.846 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.368 -8.947 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.933 -8.283 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.181 -5.009 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.391 -6.067 -7.725 1.00 0.00 H new ATOM 626 N LYS A 39 7.400 -5.704 -3.075 1.00 0.00 N ATOM 627 CA LYS A 39 7.469 -4.361 -2.514 1.00 0.00 C ATOM 628 C LYS A 39 6.534 -3.412 -3.257 1.00 0.00 C ATOM 629 O LYS A 39 6.813 -3.010 -4.388 1.00 0.00 O ATOM 630 CB LYS A 39 8.906 -3.835 -2.569 1.00 0.00 C ATOM 631 CG LYS A 39 9.591 -3.799 -1.212 1.00 0.00 C ATOM 632 CD LYS A 39 10.415 -2.532 -1.033 1.00 0.00 C ATOM 633 CE LYS A 39 11.880 -2.848 -0.775 1.00 0.00 C ATOM 634 NZ LYS A 39 12.504 -1.869 0.156 1.00 0.00 N ATOM 0 H LYS A 39 8.215 -5.973 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 39 7.150 -4.411 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.488 -4.462 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.901 -2.830 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.841 -3.860 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.236 -4.671 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.328 -1.912 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.015 -1.952 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.967 -3.851 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.423 -2.847 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.502 -2.120 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.444 -0.915 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.002 -1.888 1.067 1.00 0.00 H new ATOM 648 N ILE A 40 5.429 -3.056 -2.614 1.00 0.00 N ATOM 649 CA ILE A 40 4.453 -2.153 -3.212 1.00 0.00 C ATOM 650 C ILE A 40 4.112 -1.011 -2.262 1.00 0.00 C ATOM 651 O ILE A 40 4.326 -1.108 -1.054 1.00 0.00 O ATOM 652 CB ILE A 40 3.157 -2.894 -3.590 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.480 -4.142 -4.414 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.220 -1.972 -4.356 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.254 -4.882 -4.902 1.00 0.00 C ATOM 0 H ILE A 40 5.186 -3.379 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 40 4.908 -1.750 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 40 2.655 -3.206 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.085 -3.853 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.086 -4.818 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.309 -2.512 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.968 -1.112 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.711 -1.630 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.561 -5.755 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.658 -5.203 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.658 -4.222 -5.533 1.00 0.00 H new ATOM 667 N PHE A 41 3.578 0.073 -2.817 1.00 0.00 N ATOM 668 CA PHE A 41 3.208 1.234 -2.015 1.00 0.00 C ATOM 669 C PHE A 41 1.879 1.817 -2.481 1.00 0.00 C ATOM 670 O PHE A 41 1.766 2.317 -3.601 1.00 0.00 O ATOM 671 CB PHE A 41 4.296 2.305 -2.086 1.00 0.00 C ATOM 672 CG PHE A 41 5.593 1.885 -1.457 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.814 2.075 -0.102 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.593 1.303 -2.219 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.006 1.690 0.481 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.788 0.916 -1.642 1.00 0.00 C ATOM 677 CZ PHE A 41 7.994 1.110 -0.290 1.00 0.00 C ATOM 0 H PHE A 41 3.392 0.171 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 41 3.101 0.905 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.474 2.562 -3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.938 3.208 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.045 2.529 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.437 1.150 -3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.165 1.842 1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.559 0.463 -2.247 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.927 0.808 0.164 1.00 0.00 H new ATOM 687 N LEU A 42 0.875 1.752 -1.613 1.00 0.00 N ATOM 688 CA LEU A 42 -0.446 2.278 -1.932 1.00 0.00 C ATOM 689 C LEU A 42 -0.607 3.702 -1.409 1.00 0.00 C ATOM 690 O LEU A 42 -0.051 4.061 -0.374 1.00 0.00 O ATOM 691 CB LEU A 42 -1.544 1.375 -1.358 1.00 0.00 C ATOM 692 CG LEU A 42 -1.215 0.673 -0.035 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.218 -0.459 -0.247 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.706 1.668 1.001 1.00 0.00 C ATOM 0 H LEU A 42 0.952 1.340 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.544 2.297 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.442 1.976 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.785 0.614 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.137 0.235 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.003 -0.939 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.640 -1.192 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.704 -0.058 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.480 1.143 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.197 2.151 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.470 2.422 1.187 1.00 0.00 H new ATOM 706 N THR A 43 -1.371 4.510 -2.136 1.00 0.00 N ATOM 707 CA THR A 43 -1.604 5.895 -1.747 1.00 0.00 C ATOM 708 C THR A 43 -3.040 6.096 -1.273 1.00 0.00 C ATOM 709 O THR A 43 -3.989 5.784 -1.991 1.00 0.00 O ATOM 710 CB THR A 43 -1.304 6.832 -2.917 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.113 6.445 -3.579 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.149 8.279 -2.500 1.00 0.00 C ATOM 0 H THR A 43 -1.839 4.229 -2.998 1.00 0.00 H new ATOM 0 HA THR A 43 -0.934 6.131 -0.920 1.00 0.00 H new ATOM 0 HB THR A 43 -2.166 6.752 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.300 6.299 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.937 8.890 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.071 8.623 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.327 8.367 -1.790 1.00 0.00 H new ATOM 720 N ILE A 44 -3.188 6.621 -0.062 1.00 0.00 N ATOM 721 CA ILE A 44 -4.509 6.866 0.506 1.00 0.00 C ATOM 722 C ILE A 44 -5.069 8.203 0.038 1.00 0.00 C ATOM 723 O ILE A 44 -4.426 9.243 0.185 1.00 0.00 O ATOM 724 CB ILE A 44 -4.472 6.846 2.046 1.00 0.00 C ATOM 725 CG1 ILE A 44 -3.758 5.589 2.545 1.00 0.00 C ATOM 726 CG2 ILE A 44 -5.883 6.921 2.610 1.00 0.00 C ATOM 727 CD1 ILE A 44 -3.701 5.483 4.055 1.00 0.00 C ATOM 0 H ILE A 44 -2.412 6.885 0.545 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.157 6.062 0.157 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.916 7.717 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.266 4.711 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.742 5.577 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.841 6.906 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.359 7.844 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.462 6.067 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.181 4.567 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.167 6.343 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.714 5.463 4.457 1.00 0.00 H new ATOM 739 N ASN A 45 -6.271 8.170 -0.527 1.00 0.00 N ATOM 740 CA ASN A 45 -6.919 9.381 -1.018 1.00 0.00 C ATOM 741 C ASN A 45 -7.691 10.077 0.099 1.00 0.00 C ATOM 742 O ASN A 45 -7.854 9.529 1.189 1.00 0.00 O ATOM 743 CB ASN A 45 -7.864 9.046 -2.173 1.00 0.00 C ATOM 744 CG ASN A 45 -7.171 8.278 -3.283 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.956 8.085 -3.253 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.944 7.835 -4.267 1.00 0.00 N ATOM 0 H ASN A 45 -6.816 7.318 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.143 10.058 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.701 8.458 -1.796 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.280 9.969 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.535 7.311 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.947 8.019 -4.250 1.00 0.00 H new ATOM 753 N ALA A 46 -8.162 11.288 -0.180 1.00 0.00 N ATOM 754 CA ALA A 46 -8.918 12.058 0.801 1.00 0.00 C ATOM 755 C ALA A 46 -10.380 11.628 0.847 1.00 0.00 C ATOM 756 O ALA A 46 -11.160 12.157 1.634 1.00 0.00 O ATOM 757 CB ALA A 46 -8.815 13.545 0.493 1.00 0.00 C ATOM 0 H ALA A 46 -8.034 11.757 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.485 11.864 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.383 14.110 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.770 13.852 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.218 13.739 -0.501 1.00 0.00 H new ATOM 763 N ASP A 47 -10.740 10.666 0.002 1.00 0.00 N ATOM 764 CA ASP A 47 -12.120 10.172 -0.047 1.00 0.00 C ATOM 765 C ASP A 47 -12.220 8.793 0.599 1.00 0.00 C ATOM 766 O ASP A 47 -13.310 8.367 0.995 1.00 0.00 O ATOM 767 CB ASP A 47 -12.620 10.108 -1.495 1.00 0.00 C ATOM 768 CG ASP A 47 -11.500 10.091 -2.520 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.840 9.038 -2.666 1.00 0.00 O ATOM 770 OD2 ASP A 47 -11.280 11.132 -3.177 1.00 0.00 O ATOM 0 H ASP A 47 -10.104 10.214 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.748 10.867 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.231 9.214 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.265 10.965 -1.687 1.00 0.00 H new ATOM 775 N GLY A 48 -11.100 8.102 0.701 1.00 0.00 N ATOM 776 CA GLY A 48 -11.080 6.778 1.296 1.00 0.00 C ATOM 777 C GLY A 48 -10.650 5.701 0.317 1.00 0.00 C ATOM 778 O GLY A 48 -10.730 4.512 0.622 1.00 0.00 O ATOM 0 H GLY A 48 -10.191 8.436 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.402 6.778 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.073 6.541 1.677 1.00 0.00 H new ATOM 782 N SER A 49 -10.200 6.115 -0.863 1.00 0.00 N ATOM 783 CA SER A 49 -9.760 5.173 -1.883 1.00 0.00 C ATOM 784 C SER A 49 -8.252 4.957 -1.805 1.00 0.00 C ATOM 785 O SER A 49 -7.497 5.886 -1.517 1.00 0.00 O ATOM 786 CB SER A 49 -10.140 5.675 -3.271 1.00 0.00 C ATOM 787 OG SER A 49 -11.030 4.773 -3.910 1.00 0.00 O ATOM 0 H SER A 49 -10.131 7.096 -1.135 1.00 0.00 H new ATOM 0 HA SER A 49 -10.259 4.221 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.606 6.657 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.242 5.796 -3.877 1.00 0.00 H new ATOM 0 HG SER A 49 -11.262 5.116 -4.798 1.00 0.00 H new ATOM 793 N VAL A 50 -7.820 3.728 -2.062 1.00 0.00 N ATOM 794 CA VAL A 50 -6.403 3.393 -2.019 1.00 0.00 C ATOM 795 C VAL A 50 -5.982 2.636 -3.274 1.00 0.00 C ATOM 796 O VAL A 50 -6.641 1.680 -3.685 1.00 0.00 O ATOM 797 CB VAL A 50 -6.051 2.543 -0.781 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.615 2.800 -0.350 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.012 2.824 0.366 1.00 0.00 C ATOM 0 H VAL A 50 -8.431 2.947 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.862 4.337 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.149 1.492 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.383 2.192 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.939 2.538 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.493 3.854 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.741 2.212 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.955 3.878 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.029 2.584 0.056 1.00 0.00 H new ATOM 809 N TYR A 51 -4.880 3.069 -3.880 1.00 0.00 N ATOM 810 CA TYR A 51 -4.373 2.430 -5.089 1.00 0.00 C ATOM 811 C TYR A 51 -2.901 2.061 -4.936 1.00 0.00 C ATOM 812 O TYR A 51 -2.086 2.883 -4.516 1.00 0.00 O ATOM 813 CB TYR A 51 -4.558 3.354 -6.296 1.00 0.00 C ATOM 814 CG TYR A 51 -3.724 4.614 -6.230 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.394 4.612 -6.632 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.268 5.807 -5.769 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.629 5.760 -6.573 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.510 6.960 -5.709 1.00 0.00 C ATOM 819 CZ TYR A 51 -2.191 6.932 -6.112 1.00 0.00 C ATOM 820 OH TYR A 51 -1.432 8.078 -6.052 1.00 0.00 O ATOM 0 H TYR A 51 -4.322 3.858 -3.554 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.942 1.514 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.303 2.807 -7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.610 3.629 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.951 3.697 -6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.300 5.833 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.596 5.740 -6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.948 7.879 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.978 8.814 -5.706 1.00 0.00 H new ATOM 830 N ALA A 52 -2.568 0.821 -5.279 1.00 0.00 N ATOM 831 CA ALA A 52 -1.195 0.343 -5.179 1.00 0.00 C ATOM 832 C ALA A 52 -0.396 0.702 -6.427 1.00 0.00 C ATOM 833 O ALA A 52 -0.809 0.404 -7.547 1.00 0.00 O ATOM 834 CB ALA A 52 -1.175 -1.161 -4.953 1.00 0.00 C ATOM 0 H ALA A 52 -3.231 0.129 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.727 0.834 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.143 -1.504 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.702 -1.397 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.666 -1.661 -5.788 1.00 0.00 H new ATOM 840 N GLU A 53 0.750 1.346 -6.226 1.00 0.00 N ATOM 841 CA GLU A 53 1.607 1.747 -7.336 1.00 0.00 C ATOM 842 C GLU A 53 2.961 1.049 -7.257 1.00 0.00 C ATOM 843 O GLU A 53 3.277 0.395 -6.263 1.00 0.00 O ATOM 844 CB GLU A 53 1.801 3.264 -7.337 1.00 0.00 C ATOM 845 CG GLU A 53 2.529 3.785 -6.109 1.00 0.00 C ATOM 846 CD GLU A 53 3.125 5.162 -6.327 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.373 6.156 -6.232 1.00 0.00 O ATOM 848 OE2 GLU A 53 4.341 5.249 -6.593 1.00 0.00 O ATOM 0 H GLU A 53 1.106 1.601 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 53 1.119 1.450 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.359 3.550 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.826 3.747 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.836 3.822 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.322 3.088 -5.838 1.00 0.00 H new ATOM 855 N GLU A 54 3.758 1.192 -8.313 1.00 0.00 N ATOM 856 CA GLU A 54 5.078 0.575 -8.364 1.00 0.00 C ATOM 857 C GLU A 54 6.161 1.626 -8.578 1.00 0.00 C ATOM 858 O GLU A 54 6.282 2.195 -9.664 1.00 0.00 O ATOM 859 CB GLU A 54 5.132 -0.468 -9.482 1.00 0.00 C ATOM 860 CG GLU A 54 5.945 -1.701 -9.124 1.00 0.00 C ATOM 861 CD GLU A 54 7.178 -1.861 -9.992 1.00 0.00 C ATOM 862 OE1 GLU A 54 7.106 -1.524 -11.193 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.215 -2.322 -9.471 1.00 0.00 O ATOM 0 H GLU A 54 3.512 1.730 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 54 5.260 0.083 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.116 -0.773 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.557 -0.010 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.247 -1.641 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.318 -2.587 -9.224 1.00 0.00 H new