USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 367 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 Single : A 21 LYS NZ :NH3+ 158:sc= -0.196 (180deg=-0.835) USER MOD Single : A 25 THR OG1 : rot 63:sc= 0.209 USER MOD Single : A 27 HIS : no HD1:sc= -16.1! C(o=-16!,f=-16!) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.278 (180deg=-1.41!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -22.4! (180deg=-24.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 48 ASN : amide:sc= -14.3! C(o=-14!,f=-16!) USER MOD Single : A 49 ASN :FLIP amide:sc= -1.45 F(o=-12!,f=-1.4) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc=-0.000879 (180deg=-0.0937) USER MOD Single : A 56 THR OG1 : rot 58:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.073) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.665 20.479 -6.420 1.00 0.00 N ATOM 2 CA LYS A 21 0.026 19.165 -6.094 1.00 0.00 C ATOM 3 C LYS A 21 -0.259 18.489 -7.423 1.00 0.00 C ATOM 4 O LYS A 21 -0.240 17.290 -7.566 1.00 0.00 O ATOM 5 CB LYS A 21 -1.292 19.385 -5.302 1.00 0.00 C ATOM 6 CG LYS A 21 -1.104 19.039 -3.804 1.00 0.00 C ATOM 7 CD LYS A 21 -1.447 17.565 -3.555 1.00 0.00 C ATOM 8 CE LYS A 21 -1.142 17.207 -2.099 1.00 0.00 C ATOM 9 NZ LYS A 21 -1.578 18.323 -1.212 1.00 0.00 N ATOM 0 HA LYS A 21 0.677 18.552 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.612 20.422 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.083 18.766 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.075 19.236 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.742 19.677 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.500 17.384 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.870 16.928 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.657 16.287 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.075 17.024 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.725 17.963 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.846 19.061 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.468 18.725 -1.571 1.00 0.00 H new ATOM 23 N LEU A 22 -0.504 19.303 -8.380 1.00 0.00 N ATOM 24 CA LEU A 22 -0.803 18.865 -9.761 1.00 0.00 C ATOM 25 C LEU A 22 0.124 17.729 -10.226 1.00 0.00 C ATOM 26 O LEU A 22 -0.324 16.646 -10.538 1.00 0.00 O ATOM 27 CB LEU A 22 -0.551 20.108 -10.606 1.00 0.00 C ATOM 28 CG LEU A 22 -0.386 19.776 -12.092 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.559 18.907 -12.578 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.352 21.082 -12.892 1.00 0.00 C ATOM 0 H LEU A 22 -0.511 20.316 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.818 18.475 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.381 20.804 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.346 20.613 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 22 0.542 19.224 -12.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.429 18.679 -13.636 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.585 17.979 -12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.495 19.447 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.235 20.856 -13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.283 21.627 -12.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.486 21.693 -12.556 1.00 0.00 H new ATOM 42 N LEU A 23 1.403 17.970 -10.301 1.00 0.00 N ATOM 43 CA LEU A 23 2.330 16.903 -10.777 1.00 0.00 C ATOM 44 C LEU A 23 2.672 16.055 -9.581 1.00 0.00 C ATOM 45 O LEU A 23 2.700 14.848 -9.631 1.00 0.00 O ATOM 46 CB LEU A 23 3.583 17.580 -11.365 1.00 0.00 C ATOM 47 CG LEU A 23 4.032 16.874 -12.661 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.193 17.371 -13.844 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.510 17.178 -12.929 1.00 0.00 C ATOM 0 H LEU A 23 1.846 18.855 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 23 1.887 16.277 -11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.371 18.629 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.391 17.556 -10.634 1.00 0.00 H new ATOM 0 HG LEU A 23 3.894 15.799 -12.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.516 16.868 -14.756 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.141 17.152 -13.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.325 18.447 -13.957 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.824 16.678 -13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.646 18.254 -13.038 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.112 16.819 -12.095 1.00 0.00 H new ATOM 61 N ILE A 24 2.892 16.705 -8.497 1.00 0.00 N ATOM 62 CA ILE A 24 3.205 15.997 -7.243 1.00 0.00 C ATOM 63 C ILE A 24 2.092 14.966 -7.013 1.00 0.00 C ATOM 64 O ILE A 24 2.260 13.990 -6.310 1.00 0.00 O ATOM 65 CB ILE A 24 3.267 17.034 -6.090 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.353 18.468 -6.684 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.492 16.762 -5.202 1.00 0.00 C ATOM 68 CD1 ILE A 24 3.783 19.467 -5.605 1.00 0.00 C ATOM 0 H ILE A 24 2.869 17.722 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 24 4.167 15.486 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 24 2.366 16.948 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.065 18.485 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.385 18.758 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.527 17.495 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.419 15.760 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.400 16.838 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.839 20.467 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.055 19.462 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.761 19.184 -5.217 1.00 0.00 H new ATOM 80 N THR A 25 0.953 15.184 -7.631 1.00 0.00 N ATOM 81 CA THR A 25 -0.189 14.229 -7.491 1.00 0.00 C ATOM 82 C THR A 25 -0.267 13.336 -8.731 1.00 0.00 C ATOM 83 O THR A 25 -0.620 12.177 -8.645 1.00 0.00 O ATOM 84 CB THR A 25 -1.501 15.007 -7.357 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.454 15.818 -6.191 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.668 14.024 -7.250 1.00 0.00 C ATOM 0 H THR A 25 0.767 15.989 -8.230 1.00 0.00 H new ATOM 0 HA THR A 25 -0.032 13.617 -6.603 1.00 0.00 H new ATOM 0 HB THR A 25 -1.640 15.640 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.740 16.483 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.602 14.577 -7.155 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.704 13.403 -8.145 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.531 13.390 -6.374 1.00 0.00 H new ATOM 94 N ILE A 26 0.049 13.861 -9.892 1.00 0.00 N ATOM 95 CA ILE A 26 -0.025 13.021 -11.128 1.00 0.00 C ATOM 96 C ILE A 26 1.288 12.269 -11.281 1.00 0.00 C ATOM 97 O ILE A 26 1.325 11.089 -11.570 1.00 0.00 O ATOM 98 CB ILE A 26 -0.291 13.939 -12.349 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.799 14.020 -12.635 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.412 13.412 -13.611 1.00 0.00 C ATOM 101 CD1 ILE A 26 -2.520 14.731 -11.486 1.00 0.00 C ATOM 0 H ILE A 26 0.352 14.824 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.838 12.298 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 26 0.103 14.925 -12.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.971 14.556 -13.568 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.206 13.017 -12.764 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.205 14.079 -14.448 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.487 13.370 -13.438 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.043 12.413 -13.843 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.587 14.781 -11.702 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.363 14.178 -10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.124 15.741 -11.377 1.00 0.00 H new ATOM 113 N HIS A 27 2.352 12.956 -11.082 1.00 0.00 N ATOM 114 CA HIS A 27 3.696 12.323 -11.201 1.00 0.00 C ATOM 115 C HIS A 27 3.700 10.993 -10.428 1.00 0.00 C ATOM 116 O HIS A 27 4.578 10.170 -10.591 1.00 0.00 O ATOM 117 CB HIS A 27 4.759 13.284 -10.637 1.00 0.00 C ATOM 118 CG HIS A 27 4.806 13.205 -9.131 1.00 0.00 C ATOM 119 ND1 HIS A 27 5.989 13.338 -8.421 1.00 0.00 N ATOM 120 CD2 HIS A 27 3.827 13.001 -8.190 1.00 0.00 C ATOM 121 CE1 HIS A 27 5.694 13.213 -7.114 1.00 0.00 C ATOM 122 NE2 HIS A 27 4.390 13.005 -6.917 1.00 0.00 N ATOM 0 H HIS A 27 2.363 13.946 -10.837 1.00 0.00 H new ATOM 0 HA HIS A 27 3.926 12.120 -12.247 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.737 13.035 -11.050 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.533 14.305 -10.945 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.778 12.859 -8.405 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.424 13.274 -6.320 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.910 12.877 -6.026 1.00 0.00 H new ATOM 130 N ASP A 28 2.715 10.793 -9.585 1.00 0.00 N ATOM 131 CA ASP A 28 2.625 9.534 -8.781 1.00 0.00 C ATOM 132 C ASP A 28 1.402 8.735 -9.239 1.00 0.00 C ATOM 133 O ASP A 28 1.426 7.520 -9.287 1.00 0.00 O ATOM 134 CB ASP A 28 2.470 9.897 -7.300 1.00 0.00 C ATOM 135 CG ASP A 28 3.832 10.281 -6.717 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.757 10.459 -7.493 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.928 10.388 -5.506 1.00 0.00 O ATOM 0 H ASP A 28 1.960 11.458 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 28 3.526 8.937 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.770 10.725 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.053 9.053 -6.750 1.00 0.00 H new ATOM 142 N ARG A 29 0.333 9.406 -9.576 1.00 0.00 N ATOM 143 CA ARG A 29 -0.891 8.682 -10.031 1.00 0.00 C ATOM 144 C ARG A 29 -0.500 7.629 -11.070 1.00 0.00 C ATOM 145 O ARG A 29 -1.258 6.732 -11.380 1.00 0.00 O ATOM 146 CB ARG A 29 -1.869 9.678 -10.656 1.00 0.00 C ATOM 147 CG ARG A 29 -3.250 9.036 -10.800 1.00 0.00 C ATOM 148 CD ARG A 29 -4.261 10.099 -11.234 1.00 0.00 C ATOM 149 NE ARG A 29 -5.540 9.441 -11.620 1.00 0.00 N ATOM 150 CZ ARG A 29 -6.629 10.151 -11.737 1.00 0.00 C ATOM 151 NH1 ARG A 29 -6.596 11.436 -11.516 1.00 0.00 N ATOM 152 NH2 ARG A 29 -7.751 9.576 -12.075 1.00 0.00 N ATOM 0 H ARG A 29 0.254 10.423 -9.556 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.365 8.195 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.937 10.571 -10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.503 9.996 -11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.214 8.231 -11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.557 8.591 -9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.434 10.805 -10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.866 10.670 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.565 8.436 -11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.719 11.886 -11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.447 11.991 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.777 8.571 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.602 10.132 -12.166 1.00 0.00 H new ATOM 166 N LYS A 30 0.684 7.736 -11.605 1.00 0.00 N ATOM 167 CA LYS A 30 1.141 6.749 -12.622 1.00 0.00 C ATOM 168 C LYS A 30 0.934 5.341 -12.073 1.00 0.00 C ATOM 169 O LYS A 30 0.231 4.536 -12.652 1.00 0.00 O ATOM 170 CB LYS A 30 2.627 6.971 -12.920 1.00 0.00 C ATOM 171 CG LYS A 30 3.051 6.084 -14.097 1.00 0.00 C ATOM 172 CD LYS A 30 4.569 6.191 -14.323 1.00 0.00 C ATOM 173 CE LYS A 30 4.895 7.443 -15.147 1.00 0.00 C ATOM 174 NZ LYS A 30 4.167 7.391 -16.445 1.00 0.00 N ATOM 0 H LYS A 30 1.358 8.468 -11.380 1.00 0.00 H new ATOM 0 HA LYS A 30 0.569 6.874 -13.542 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.809 8.019 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.225 6.735 -12.039 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.778 5.048 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.519 6.386 -14.999 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.085 6.234 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.931 5.302 -14.840 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.610 8.338 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.969 7.505 -15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.692 7.935 -17.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.082 6.402 -16.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.218 7.799 -16.327 1.00 0.00 H new ATOM 188 N GLU A 31 1.527 5.038 -10.953 1.00 0.00 N ATOM 189 CA GLU A 31 1.345 3.684 -10.366 1.00 0.00 C ATOM 190 C GLU A 31 -0.146 3.468 -10.121 1.00 0.00 C ATOM 191 O GLU A 31 -0.674 2.394 -10.328 1.00 0.00 O ATOM 192 CB GLU A 31 2.100 3.588 -9.040 1.00 0.00 C ATOM 193 CG GLU A 31 3.591 3.855 -9.270 1.00 0.00 C ATOM 194 CD GLU A 31 3.826 5.356 -9.444 1.00 0.00 C ATOM 195 OE1 GLU A 31 3.247 6.118 -8.686 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.581 5.720 -10.330 1.00 0.00 O ATOM 0 H GLU A 31 2.128 5.667 -10.421 1.00 0.00 H new ATOM 0 HA GLU A 31 1.732 2.925 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.698 4.310 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.962 2.599 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.171 3.482 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.934 3.319 -10.155 1.00 0.00 H new ATOM 203 N PHE A 32 -0.829 4.492 -9.689 1.00 0.00 N ATOM 204 CA PHE A 32 -2.288 4.361 -9.438 1.00 0.00 C ATOM 205 C PHE A 32 -2.964 3.908 -10.722 1.00 0.00 C ATOM 206 O PHE A 32 -3.928 3.168 -10.716 1.00 0.00 O ATOM 207 CB PHE A 32 -2.847 5.721 -8.997 1.00 0.00 C ATOM 208 CG PHE A 32 -4.144 5.525 -8.244 1.00 0.00 C ATOM 209 CD1 PHE A 32 -4.121 5.250 -6.871 1.00 0.00 C ATOM 210 CD2 PHE A 32 -5.367 5.621 -8.917 1.00 0.00 C ATOM 211 CE1 PHE A 32 -5.321 5.069 -6.173 1.00 0.00 C ATOM 212 CE2 PHE A 32 -6.567 5.440 -8.220 1.00 0.00 C ATOM 213 CZ PHE A 32 -6.544 5.164 -6.847 1.00 0.00 C ATOM 0 H PHE A 32 -0.437 5.414 -9.499 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.475 3.629 -8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.123 6.234 -8.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.014 6.355 -9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.177 5.178 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.385 5.835 -9.975 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.303 4.856 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.510 5.513 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.470 5.025 -6.309 1.00 0.00 H new ATOM 223 N ALA A 33 -2.445 4.350 -11.818 1.00 0.00 N ATOM 224 CA ALA A 33 -3.018 3.964 -13.136 1.00 0.00 C ATOM 225 C ALA A 33 -2.483 2.587 -13.531 1.00 0.00 C ATOM 226 O ALA A 33 -3.086 1.879 -14.308 1.00 0.00 O ATOM 227 CB ALA A 33 -2.611 4.993 -14.192 1.00 0.00 C ATOM 0 H ALA A 33 -1.637 4.971 -11.866 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.105 3.930 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.031 4.710 -15.157 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.987 5.975 -13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.524 5.028 -14.266 1.00 0.00 H new ATOM 233 N LYS A 34 -1.352 2.199 -13.004 1.00 0.00 N ATOM 234 CA LYS A 34 -0.788 0.862 -13.353 1.00 0.00 C ATOM 235 C LYS A 34 -1.400 -0.205 -12.443 1.00 0.00 C ATOM 236 O LYS A 34 -2.074 -1.109 -12.896 1.00 0.00 O ATOM 237 CB LYS A 34 0.730 0.882 -13.169 1.00 0.00 C ATOM 238 CG LYS A 34 1.345 -0.344 -13.846 1.00 0.00 C ATOM 239 CD LYS A 34 2.865 -0.316 -13.674 1.00 0.00 C ATOM 240 CE LYS A 34 3.494 -1.445 -14.492 1.00 0.00 C ATOM 241 NZ LYS A 34 4.976 -1.395 -14.349 1.00 0.00 N ATOM 0 H LYS A 34 -0.796 2.748 -12.349 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.023 0.630 -14.392 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.146 1.794 -13.597 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.978 0.886 -12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.936 -1.256 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.089 -0.354 -14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.260 0.646 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.124 -0.428 -12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.117 -2.409 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.216 -1.347 -15.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.404 -2.162 -14.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.327 -0.479 -14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.232 -1.508 -13.347 1.00 0.00 H new ATOM 255 N PHE A 35 -1.174 -0.107 -11.161 1.00 0.00 N ATOM 256 CA PHE A 35 -1.745 -1.116 -10.226 1.00 0.00 C ATOM 257 C PHE A 35 -3.248 -1.221 -10.460 1.00 0.00 C ATOM 258 O PHE A 35 -3.907 -2.117 -9.977 1.00 0.00 O ATOM 259 CB PHE A 35 -1.472 -0.695 -8.778 1.00 0.00 C ATOM 260 CG PHE A 35 -0.031 -0.993 -8.424 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.986 -0.129 -8.844 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.284 -2.134 -7.676 1.00 0.00 C ATOM 263 CE1 PHE A 35 2.319 -0.405 -8.517 1.00 0.00 C ATOM 264 CE2 PHE A 35 1.617 -2.410 -7.348 1.00 0.00 C ATOM 265 CZ PHE A 35 2.634 -1.546 -7.769 1.00 0.00 C ATOM 0 H PHE A 35 -0.619 0.628 -10.722 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.280 -2.085 -10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.675 0.369 -8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.141 -1.228 -8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.743 0.751 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.501 -2.801 -7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.104 0.262 -8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.860 -3.289 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.662 -1.759 -7.517 1.00 0.00 H new ATOM 275 N GLU A 36 -3.792 -0.309 -11.203 1.00 0.00 N ATOM 276 CA GLU A 36 -5.253 -0.347 -11.478 1.00 0.00 C ATOM 277 C GLU A 36 -5.654 -1.747 -11.937 1.00 0.00 C ATOM 278 O GLU A 36 -6.649 -2.297 -11.522 1.00 0.00 O ATOM 279 CB GLU A 36 -5.592 0.724 -12.527 1.00 0.00 C ATOM 280 CG GLU A 36 -5.291 0.207 -13.923 1.00 0.00 C ATOM 281 CD GLU A 36 -5.543 1.315 -14.948 1.00 0.00 C ATOM 282 OE1 GLU A 36 -5.583 2.468 -14.549 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.691 0.992 -16.116 1.00 0.00 O ATOM 0 H GLU A 36 -3.289 0.466 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.819 -0.126 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.645 0.996 -12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.014 1.628 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.255 -0.128 -13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.918 -0.656 -14.145 1.00 0.00 H new ATOM 290 N GLU A 37 -4.884 -2.310 -12.796 1.00 0.00 N ATOM 291 CA GLU A 37 -5.198 -3.670 -13.317 1.00 0.00 C ATOM 292 C GLU A 37 -5.440 -4.646 -12.158 1.00 0.00 C ATOM 293 O GLU A 37 -6.174 -5.605 -12.291 1.00 0.00 O ATOM 294 CB GLU A 37 -4.024 -4.171 -14.162 1.00 0.00 C ATOM 295 CG GLU A 37 -4.464 -5.388 -14.979 1.00 0.00 C ATOM 296 CD GLU A 37 -3.330 -5.812 -15.915 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.182 -5.651 -15.534 1.00 0.00 O ATOM 298 OE2 GLU A 37 -3.629 -6.290 -16.996 1.00 0.00 O ATOM 0 H GLU A 37 -4.034 -1.890 -13.173 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.100 -3.614 -13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.677 -3.380 -14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.186 -4.436 -13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.727 -6.210 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.356 -5.148 -15.557 1.00 0.00 H new ATOM 305 N GLU A 38 -4.816 -4.429 -11.032 1.00 0.00 N ATOM 306 CA GLU A 38 -4.987 -5.350 -9.889 1.00 0.00 C ATOM 307 C GLU A 38 -6.236 -4.991 -9.070 1.00 0.00 C ATOM 308 O GLU A 38 -7.121 -5.800 -8.877 1.00 0.00 O ATOM 309 CB GLU A 38 -3.750 -5.201 -9.005 1.00 0.00 C ATOM 310 CG GLU A 38 -2.578 -5.978 -9.614 1.00 0.00 C ATOM 311 CD GLU A 38 -2.288 -5.447 -11.019 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.890 -4.298 -11.126 1.00 0.00 O ATOM 313 OE2 GLU A 38 -2.470 -6.196 -11.964 1.00 0.00 O ATOM 0 H GLU A 38 -4.190 -3.642 -10.860 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.107 -6.371 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.487 -4.148 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.962 -5.572 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.694 -5.875 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.816 -7.041 -9.657 1.00 0.00 H new ATOM 320 N ARG A 39 -6.282 -3.789 -8.559 1.00 0.00 N ATOM 321 CA ARG A 39 -7.431 -3.343 -7.704 1.00 0.00 C ATOM 322 C ARG A 39 -8.345 -2.385 -8.453 1.00 0.00 C ATOM 323 O ARG A 39 -9.139 -1.730 -7.826 1.00 0.00 O ATOM 324 CB ARG A 39 -6.921 -2.684 -6.421 1.00 0.00 C ATOM 325 CG ARG A 39 -5.611 -1.935 -6.706 1.00 0.00 C ATOM 326 CD ARG A 39 -5.532 -0.706 -5.807 1.00 0.00 C ATOM 327 NE ARG A 39 -6.200 -0.996 -4.495 1.00 0.00 N ATOM 328 CZ ARG A 39 -5.970 -0.220 -3.471 1.00 0.00 C ATOM 329 NH1 ARG A 39 -5.145 0.785 -3.588 1.00 0.00 N ATOM 330 NH2 ARG A 39 -6.560 -0.447 -2.332 1.00 0.00 N ATOM 0 H ARG A 39 -5.560 -3.082 -8.699 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.010 -4.229 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.669 -1.992 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.759 -3.440 -5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.758 -2.588 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.568 -1.638 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.490 -0.430 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.014 0.143 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.829 -1.794 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.681 0.963 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.964 1.392 -2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.204 -1.233 -2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.378 0.161 -1.533 1.00 0.00 H new ATOM 344 N ALA A 40 -8.231 -2.275 -9.757 1.00 0.00 N ATOM 345 CA ALA A 40 -9.118 -1.346 -10.598 1.00 0.00 C ATOM 346 C ALA A 40 -10.544 -1.193 -10.028 1.00 0.00 C ATOM 347 O ALA A 40 -11.444 -0.703 -10.676 1.00 0.00 O ATOM 348 CB ALA A 40 -9.183 -1.878 -12.047 1.00 0.00 C ATOM 0 H ALA A 40 -7.547 -2.797 -10.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.665 -0.355 -10.574 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.812 -1.221 -12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.179 -1.905 -12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.604 -2.883 -12.047 1.00 0.00 H new ATOM 354 N ARG A 41 -10.724 -1.603 -8.843 1.00 0.00 N ATOM 355 CA ARG A 41 -11.988 -1.521 -8.141 1.00 0.00 C ATOM 356 C ARG A 41 -12.050 -0.208 -7.362 1.00 0.00 C ATOM 357 O ARG A 41 -13.095 0.213 -6.946 1.00 0.00 O ATOM 358 CB ARG A 41 -11.962 -2.669 -7.167 1.00 0.00 C ATOM 359 CG ARG A 41 -11.833 -4.029 -7.935 1.00 0.00 C ATOM 360 CD ARG A 41 -10.768 -4.967 -7.300 1.00 0.00 C ATOM 361 NE ARG A 41 -9.872 -5.527 -8.368 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.358 -6.035 -9.473 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.647 -6.144 -9.638 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.546 -6.459 -10.401 1.00 0.00 N ATOM 0 H ARG A 41 -9.981 -2.027 -8.288 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.842 -1.562 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.126 -2.552 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.872 -2.667 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.800 -4.533 -7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.568 -3.833 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.176 -4.416 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.260 -5.779 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.862 -5.511 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.283 -5.833 -8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.019 -6.541 -10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.537 -6.394 -10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.920 -6.855 -11.263 1.00 0.00 H new ATOM 378 N ALA A 42 -10.932 0.437 -7.135 1.00 0.00 N ATOM 379 CA ALA A 42 -10.975 1.703 -6.331 1.00 0.00 C ATOM 380 C ALA A 42 -11.951 2.679 -6.950 1.00 0.00 C ATOM 381 O ALA A 42 -12.738 3.327 -6.290 1.00 0.00 O ATOM 382 CB ALA A 42 -9.571 2.327 -6.237 1.00 0.00 C ATOM 0 H ALA A 42 -10.009 0.152 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.312 1.467 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.619 3.245 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.892 1.624 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.206 2.555 -7.239 1.00 0.00 H new ATOM 388 N LYS A 43 -11.889 2.760 -8.209 1.00 0.00 N ATOM 389 CA LYS A 43 -12.777 3.655 -8.978 1.00 0.00 C ATOM 390 C LYS A 43 -14.244 3.336 -8.754 1.00 0.00 C ATOM 391 O LYS A 43 -15.095 4.179 -8.959 1.00 0.00 O ATOM 392 CB LYS A 43 -12.455 3.491 -10.457 1.00 0.00 C ATOM 393 CG LYS A 43 -12.014 2.027 -10.772 1.00 0.00 C ATOM 394 CD LYS A 43 -10.562 2.001 -11.299 1.00 0.00 C ATOM 395 CE LYS A 43 -9.581 2.289 -10.157 1.00 0.00 C ATOM 396 NZ LYS A 43 -9.710 1.239 -9.112 1.00 0.00 N ATOM 0 H LYS A 43 -11.235 2.225 -8.781 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.607 4.678 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.330 3.748 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.662 4.183 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.092 1.416 -9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.684 1.591 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.344 1.028 -11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.440 2.742 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.560 2.313 -10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.784 3.270 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.783 1.687 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.563 0.673 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.874 0.621 -9.135 1.00 0.00 H new ATOM 410 N TRP A 44 -14.562 2.150 -8.352 1.00 0.00 N ATOM 411 CA TRP A 44 -16.016 1.830 -8.137 1.00 0.00 C ATOM 412 C TRP A 44 -16.190 0.793 -7.033 1.00 0.00 C ATOM 413 O TRP A 44 -17.196 0.118 -6.947 1.00 0.00 O ATOM 414 CB TRP A 44 -16.660 1.322 -9.429 1.00 0.00 C ATOM 415 CG TRP A 44 -15.716 0.430 -10.095 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.885 0.840 -11.028 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.480 -0.990 -9.908 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.095 -0.212 -11.418 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.426 -1.369 -10.757 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.056 -1.968 -9.087 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.943 -2.670 -10.792 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.582 -3.292 -9.122 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.521 -3.640 -9.968 1.00 0.00 C ATOM 0 H TRP A 44 -13.906 1.392 -8.162 1.00 0.00 H new ATOM 0 HA TRP A 44 -16.513 2.751 -7.834 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -17.588 0.795 -9.208 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -16.915 2.158 -10.080 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -14.833 1.844 -11.424 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.353 -0.143 -12.114 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.867 -1.704 -8.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -13.127 -2.931 -11.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.038 -4.043 -8.494 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.151 -4.654 -9.984 1.00 0.00 H new ATOM 434 N ASP A 45 -15.209 0.651 -6.207 1.00 0.00 N ATOM 435 CA ASP A 45 -15.291 -0.365 -5.111 1.00 0.00 C ATOM 436 C ASP A 45 -14.096 -0.254 -4.197 1.00 0.00 C ATOM 437 O ASP A 45 -14.209 0.045 -3.028 1.00 0.00 O ATOM 438 CB ASP A 45 -15.307 -1.775 -5.737 1.00 0.00 C ATOM 439 CG ASP A 45 -16.729 -2.376 -5.692 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.436 -2.116 -4.733 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.077 -3.098 -6.610 1.00 0.00 O ATOM 0 H ASP A 45 -14.344 1.191 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.199 -0.190 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.961 -1.724 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.615 -2.424 -5.201 1.00 0.00 H new ATOM 446 N THR A 46 -12.973 -0.568 -4.731 1.00 0.00 N ATOM 447 CA THR A 46 -11.716 -0.581 -3.954 1.00 0.00 C ATOM 448 C THR A 46 -11.694 -1.876 -3.210 1.00 0.00 C ATOM 449 O THR A 46 -10.694 -2.535 -3.143 1.00 0.00 O ATOM 450 CB THR A 46 -11.609 0.659 -3.019 1.00 0.00 C ATOM 451 OG1 THR A 46 -10.335 1.256 -3.213 1.00 0.00 O ATOM 452 CG2 THR A 46 -11.756 0.295 -1.528 1.00 0.00 C ATOM 0 H THR A 46 -12.863 -0.827 -5.711 1.00 0.00 H new ATOM 0 HA THR A 46 -10.845 -0.511 -4.605 1.00 0.00 H new ATOM 0 HB THR A 46 -12.422 1.338 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.250 2.041 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.673 1.198 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.729 -0.166 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.970 -0.405 -1.245 1.00 0.00 H new ATOM 460 N ALA A 47 -12.807 -2.254 -2.682 1.00 0.00 N ATOM 461 CA ALA A 47 -12.891 -3.552 -1.948 1.00 0.00 C ATOM 462 C ALA A 47 -13.678 -4.569 -2.752 1.00 0.00 C ATOM 463 O ALA A 47 -13.327 -5.729 -2.794 1.00 0.00 O ATOM 464 CB ALA A 47 -13.558 -3.338 -0.588 1.00 0.00 C ATOM 0 H ALA A 47 -13.677 -1.723 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.881 -3.932 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.616 -4.289 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.971 -2.631 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.563 -2.942 -0.734 1.00 0.00 H new ATOM 470 N ASN A 48 -14.741 -4.140 -3.377 1.00 0.00 N ATOM 471 CA ASN A 48 -15.597 -5.087 -4.182 1.00 0.00 C ATOM 472 C ASN A 48 -15.638 -6.459 -3.494 1.00 0.00 C ATOM 473 O ASN A 48 -16.420 -6.724 -2.602 1.00 0.00 O ATOM 474 CB ASN A 48 -15.010 -5.261 -5.598 1.00 0.00 C ATOM 475 CG ASN A 48 -13.513 -5.568 -5.511 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.111 -6.698 -5.711 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.665 -4.626 -5.211 1.00 0.00 N ATOM 0 H ASN A 48 -15.062 -3.172 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 48 -16.603 -4.673 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.526 -6.069 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.170 -4.354 -6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.669 -4.838 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.996 -3.676 -5.042 1.00 0.00 H new ATOM 484 N ASN A 49 -14.756 -7.299 -3.921 1.00 0.00 N ATOM 485 CA ASN A 49 -14.581 -8.651 -3.406 1.00 0.00 C ATOM 486 C ASN A 49 -13.192 -8.624 -2.756 1.00 0.00 C ATOM 487 O ASN A 49 -12.369 -7.850 -3.203 1.00 0.00 O ATOM 488 CB ASN A 49 -14.578 -9.525 -4.651 1.00 0.00 C ATOM 489 CG ASN A 49 -14.057 -10.907 -4.339 1.00 0.00 C ATOM 490 OD1 ASN A 49 -12.792 -11.050 -4.143 1.00 0.00 O flip ATOM 491 ND2 ASN A 49 -14.804 -11.862 -4.274 1.00 0.00 N flip ATOM 0 H ASN A 49 -14.101 -7.070 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.329 -9.003 -2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.589 -9.595 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.960 -9.065 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.804 -11.739 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.431 -12.788 -4.063 1.00 0.00 H new ATOM 498 N PRO A 50 -12.931 -9.406 -1.732 1.00 0.00 N ATOM 499 CA PRO A 50 -11.598 -9.382 -1.090 1.00 0.00 C ATOM 500 C PRO A 50 -10.463 -9.389 -2.122 1.00 0.00 C ATOM 501 O PRO A 50 -9.312 -9.193 -1.804 1.00 0.00 O ATOM 502 CB PRO A 50 -11.585 -10.607 -0.157 1.00 0.00 C ATOM 503 CG PRO A 50 -13.051 -11.139 -0.086 1.00 0.00 C ATOM 504 CD PRO A 50 -13.892 -10.347 -1.120 1.00 0.00 C ATOM 0 HA PRO A 50 -11.427 -8.464 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.913 -11.376 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.225 -10.333 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.081 -12.206 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.457 -11.008 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.330 -11.009 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.716 -9.818 -0.641 1.00 0.00 H new ATOM 512 N LEU A 51 -10.809 -9.537 -3.349 1.00 0.00 N ATOM 513 CA LEU A 51 -9.841 -9.477 -4.470 1.00 0.00 C ATOM 514 C LEU A 51 -8.799 -8.405 -4.203 1.00 0.00 C ATOM 515 O LEU A 51 -7.602 -8.612 -4.207 1.00 0.00 O ATOM 516 CB LEU A 51 -10.673 -9.022 -5.658 1.00 0.00 C ATOM 517 CG LEU A 51 -10.007 -9.369 -7.006 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.518 -9.003 -7.000 1.00 0.00 C ATOM 519 CD2 LEU A 51 -10.159 -10.869 -7.309 1.00 0.00 C ATOM 0 H LEU A 51 -11.771 -9.706 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.333 -10.430 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.657 -9.489 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.829 -7.945 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.508 -8.787 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.076 -9.259 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.407 -7.933 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.011 -9.556 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.684 -11.097 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.684 -11.450 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.217 -11.124 -7.360 1.00 0.00 H new ATOM 531 N TYR A 52 -9.322 -7.254 -3.995 1.00 0.00 N ATOM 532 CA TYR A 52 -8.526 -6.051 -3.738 1.00 0.00 C ATOM 533 C TYR A 52 -7.635 -6.370 -2.549 1.00 0.00 C ATOM 534 O TYR A 52 -6.478 -6.004 -2.492 1.00 0.00 O ATOM 535 CB TYR A 52 -9.508 -4.888 -3.456 1.00 0.00 C ATOM 536 CG TYR A 52 -9.238 -4.297 -2.077 1.00 0.00 C ATOM 537 CD1 TYR A 52 -9.723 -4.942 -0.931 1.00 0.00 C ATOM 538 CD2 TYR A 52 -8.491 -3.119 -1.948 1.00 0.00 C ATOM 539 CE1 TYR A 52 -9.468 -4.408 0.337 1.00 0.00 C ATOM 540 CE2 TYR A 52 -8.234 -2.586 -0.677 1.00 0.00 C ATOM 541 CZ TYR A 52 -8.724 -3.231 0.464 1.00 0.00 C ATOM 542 OH TYR A 52 -8.472 -2.706 1.715 1.00 0.00 O ATOM 0 H TYR A 52 -10.329 -7.089 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.897 -5.754 -4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -9.399 -4.117 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.535 -5.248 -3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.295 -5.853 -1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.113 -2.621 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.846 -4.905 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.658 -1.678 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.941 -1.887 1.625 1.00 0.00 H new ATOM 552 N LYS A 53 -8.181 -7.092 -1.612 1.00 0.00 N ATOM 553 CA LYS A 53 -7.391 -7.492 -0.432 1.00 0.00 C ATOM 554 C LYS A 53 -6.526 -8.662 -0.854 1.00 0.00 C ATOM 555 O LYS A 53 -5.519 -8.963 -0.246 1.00 0.00 O ATOM 556 CB LYS A 53 -8.317 -7.888 0.730 1.00 0.00 C ATOM 557 CG LYS A 53 -7.496 -8.465 1.891 1.00 0.00 C ATOM 558 CD LYS A 53 -6.403 -7.470 2.310 1.00 0.00 C ATOM 559 CE LYS A 53 -5.939 -7.780 3.735 1.00 0.00 C ATOM 560 NZ LYS A 53 -6.942 -7.262 4.708 1.00 0.00 N ATOM 0 H LYS A 53 -9.147 -7.421 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.774 -6.665 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.878 -7.018 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.045 -8.624 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.149 -8.678 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.043 -9.410 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.560 -7.531 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.786 -6.451 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.815 -8.855 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.967 -7.323 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.518 -7.223 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.241 -6.308 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.768 -7.893 4.724 1.00 0.00 H new ATOM 574 N GLU A 54 -6.904 -9.322 -1.920 1.00 0.00 N ATOM 575 CA GLU A 54 -6.065 -10.475 -2.391 1.00 0.00 C ATOM 576 C GLU A 54 -4.932 -9.935 -3.245 1.00 0.00 C ATOM 577 O GLU A 54 -3.835 -10.457 -3.258 1.00 0.00 O ATOM 578 CB GLU A 54 -6.883 -11.466 -3.220 1.00 0.00 C ATOM 579 CG GLU A 54 -7.990 -12.092 -2.360 1.00 0.00 C ATOM 580 CD GLU A 54 -8.476 -13.391 -3.009 1.00 0.00 C ATOM 581 OE1 GLU A 54 -7.690 -14.321 -3.086 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.625 -13.433 -3.415 1.00 0.00 O ATOM 0 H GLU A 54 -7.736 -9.122 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.681 -11.001 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.323 -10.957 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.232 -12.247 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.614 -12.294 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.821 -11.394 -2.255 1.00 0.00 H new ATOM 589 N ALA A 55 -5.198 -8.888 -3.952 1.00 0.00 N ATOM 590 CA ALA A 55 -4.146 -8.283 -4.816 1.00 0.00 C ATOM 591 C ALA A 55 -2.932 -7.942 -3.953 1.00 0.00 C ATOM 592 O ALA A 55 -1.811 -7.925 -4.421 1.00 0.00 O ATOM 593 CB ALA A 55 -4.689 -7.012 -5.473 1.00 0.00 C ATOM 0 H ALA A 55 -6.102 -8.416 -3.975 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.856 -8.988 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.918 -6.571 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.559 -7.260 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.978 -6.298 -4.701 1.00 0.00 H new ATOM 599 N THR A 56 -3.144 -7.683 -2.691 1.00 0.00 N ATOM 600 CA THR A 56 -2.008 -7.362 -1.799 1.00 0.00 C ATOM 601 C THR A 56 -1.308 -8.669 -1.449 1.00 0.00 C ATOM 602 O THR A 56 -0.108 -8.729 -1.264 1.00 0.00 O ATOM 603 CB THR A 56 -2.556 -6.683 -0.533 1.00 0.00 C ATOM 604 OG1 THR A 56 -3.940 -6.976 -0.410 1.00 0.00 O ATOM 605 CG2 THR A 56 -2.369 -5.161 -0.612 1.00 0.00 C ATOM 0 H THR A 56 -4.061 -7.681 -2.244 1.00 0.00 H new ATOM 0 HA THR A 56 -1.299 -6.687 -2.279 1.00 0.00 H new ATOM 0 HB THR A 56 -2.011 -7.060 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.067 -7.947 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.763 -4.699 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.308 -4.929 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.903 -4.773 -1.480 1.00 0.00 H new ATOM 613 N SER A 57 -2.066 -9.710 -1.381 1.00 0.00 N ATOM 614 CA SER A 57 -1.489 -11.042 -1.068 1.00 0.00 C ATOM 615 C SER A 57 -0.574 -11.449 -2.220 1.00 0.00 C ATOM 616 O SER A 57 0.320 -12.258 -2.065 1.00 0.00 O ATOM 617 CB SER A 57 -2.614 -12.067 -0.915 1.00 0.00 C ATOM 618 OG SER A 57 -2.072 -13.289 -0.432 1.00 0.00 O ATOM 0 H SER A 57 -3.075 -9.702 -1.530 1.00 0.00 H new ATOM 0 HA SER A 57 -0.924 -10.999 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.371 -11.693 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.108 -12.228 -1.873 1.00 0.00 H new ATOM 0 HG SER A 57 -2.790 -13.948 -0.331 1.00 0.00 H new ATOM 624 N THR A 58 -0.791 -10.881 -3.375 1.00 0.00 N ATOM 625 CA THR A 58 0.058 -11.211 -4.539 1.00 0.00 C ATOM 626 C THR A 58 1.510 -10.962 -4.151 1.00 0.00 C ATOM 627 O THR A 58 2.433 -11.469 -4.756 1.00 0.00 O ATOM 628 CB THR A 58 -0.319 -10.315 -5.722 1.00 0.00 C ATOM 629 OG1 THR A 58 -1.732 -10.308 -5.876 1.00 0.00 O ATOM 630 CG2 THR A 58 0.332 -10.849 -6.998 1.00 0.00 C ATOM 0 H THR A 58 -1.527 -10.199 -3.557 1.00 0.00 H new ATOM 0 HA THR A 58 -0.084 -12.252 -4.828 1.00 0.00 H new ATOM 0 HB THR A 58 0.033 -9.300 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.976 -9.734 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.062 -10.210 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.415 -10.854 -6.879 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.017 -11.864 -7.187 1.00 0.00 H new ATOM 638 N PHE A 59 1.703 -10.175 -3.132 1.00 0.00 N ATOM 639 CA PHE A 59 3.075 -9.859 -2.661 1.00 0.00 C ATOM 640 C PHE A 59 3.615 -11.037 -1.876 1.00 0.00 C ATOM 641 O PHE A 59 4.719 -11.504 -2.074 1.00 0.00 O ATOM 642 CB PHE A 59 2.985 -8.647 -1.740 1.00 0.00 C ATOM 643 CG PHE A 59 4.354 -8.036 -1.554 1.00 0.00 C ATOM 644 CD1 PHE A 59 4.867 -7.161 -2.520 1.00 0.00 C ATOM 645 CD2 PHE A 59 5.110 -8.344 -0.417 1.00 0.00 C ATOM 646 CE1 PHE A 59 6.136 -6.595 -2.347 1.00 0.00 C ATOM 647 CE2 PHE A 59 6.379 -7.778 -0.245 1.00 0.00 C ATOM 648 CZ PHE A 59 6.891 -6.904 -1.210 1.00 0.00 C ATOM 0 H PHE A 59 0.955 -9.731 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 59 3.733 -9.654 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.303 -7.909 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.576 -8.944 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.284 -6.923 -3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.714 -9.018 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.532 -5.920 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.962 -8.016 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.870 -6.467 -1.077 1.00 0.00 H new ATOM 658 N THR A 60 2.819 -11.499 -0.984 1.00 0.00 N ATOM 659 CA THR A 60 3.207 -12.652 -0.129 1.00 0.00 C ATOM 660 C THR A 60 2.979 -13.944 -0.916 1.00 0.00 C ATOM 661 O THR A 60 3.551 -14.977 -0.631 1.00 0.00 O ATOM 662 CB THR A 60 2.358 -12.598 1.164 1.00 0.00 C ATOM 663 OG1 THR A 60 3.180 -12.175 2.242 1.00 0.00 O ATOM 664 CG2 THR A 60 1.743 -13.959 1.508 1.00 0.00 C ATOM 0 H THR A 60 1.889 -11.125 -0.797 1.00 0.00 H new ATOM 0 HA THR A 60 4.260 -12.614 0.150 1.00 0.00 H new ATOM 0 HB THR A 60 1.542 -11.895 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.648 -12.137 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.156 -13.872 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.097 -14.283 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.538 -14.691 1.655 1.00 0.00 H new ATOM 672 N ASN A 61 2.146 -13.876 -1.901 1.00 0.00 N ATOM 673 CA ASN A 61 1.857 -15.079 -2.731 1.00 0.00 C ATOM 674 C ASN A 61 3.158 -15.604 -3.330 1.00 0.00 C ATOM 675 O ASN A 61 3.213 -16.682 -3.888 1.00 0.00 O ATOM 676 CB ASN A 61 0.907 -14.696 -3.860 1.00 0.00 C ATOM 677 CG ASN A 61 0.416 -15.960 -4.570 1.00 0.00 C ATOM 678 OD1 ASN A 61 -0.439 -16.660 -4.066 1.00 0.00 O ATOM 679 ND2 ASN A 61 0.926 -16.281 -5.728 1.00 0.00 N ATOM 0 H ASN A 61 1.643 -13.032 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 61 1.400 -15.849 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.059 -14.138 -3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.414 -14.042 -4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.606 -17.121 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.644 -15.692 -6.150 1.00 0.00 H new ATOM 686 N ILE A 62 4.204 -14.839 -3.215 1.00 0.00 N ATOM 687 CA ILE A 62 5.530 -15.257 -3.769 1.00 0.00 C ATOM 688 C ILE A 62 6.369 -15.791 -2.621 1.00 0.00 C ATOM 689 O ILE A 62 7.282 -16.573 -2.794 1.00 0.00 O ATOM 690 CB ILE A 62 6.228 -14.038 -4.414 1.00 0.00 C ATOM 691 CG1 ILE A 62 5.167 -13.063 -4.928 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.109 -14.489 -5.585 1.00 0.00 C ATOM 693 CD1 ILE A 62 5.851 -11.878 -5.613 1.00 0.00 C ATOM 0 H ILE A 62 4.202 -13.928 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 62 5.403 -16.027 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 62 6.853 -13.550 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.503 -13.568 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.550 -12.712 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.595 -13.621 -6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.867 -15.183 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.492 -14.984 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.095 -11.183 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.497 -11.368 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.449 -12.237 -6.450 1.00 0.00 H new ATOM 705 N THR A 63 6.035 -15.371 -1.443 1.00 0.00 N ATOM 706 CA THR A 63 6.762 -15.830 -0.227 1.00 0.00 C ATOM 707 C THR A 63 6.000 -17.023 0.338 1.00 0.00 C ATOM 708 O THR A 63 6.493 -17.775 1.155 1.00 0.00 O ATOM 709 CB THR A 63 6.836 -14.669 0.771 1.00 0.00 C ATOM 710 OG1 THR A 63 8.106 -14.045 0.663 1.00 0.00 O ATOM 711 CG2 THR A 63 6.625 -15.133 2.221 1.00 0.00 C ATOM 0 H THR A 63 5.274 -14.716 -1.262 1.00 0.00 H new ATOM 0 HA THR A 63 7.784 -16.138 -0.450 1.00 0.00 H new ATOM 0 HB THR A 63 6.036 -13.970 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.160 -13.300 1.298 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.686 -14.275 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.643 -15.597 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.395 -15.857 2.487 1.00 0.00 H new ATOM 719 N TYR A 64 4.793 -17.189 -0.108 1.00 0.00 N ATOM 720 CA TYR A 64 3.960 -18.327 0.377 1.00 0.00 C ATOM 721 C TYR A 64 4.757 -19.632 0.299 1.00 0.00 C ATOM 722 O TYR A 64 4.346 -20.655 0.810 1.00 0.00 O ATOM 723 CB TYR A 64 2.680 -18.440 -0.472 1.00 0.00 C ATOM 724 CG TYR A 64 2.957 -19.160 -1.793 1.00 0.00 C ATOM 725 CD1 TYR A 64 4.059 -18.807 -2.606 1.00 0.00 C ATOM 726 CD2 TYR A 64 2.102 -20.194 -2.205 1.00 0.00 C ATOM 727 CE1 TYR A 64 4.286 -19.487 -3.809 1.00 0.00 C ATOM 728 CE2 TYR A 64 2.336 -20.868 -3.408 1.00 0.00 C ATOM 729 CZ TYR A 64 3.426 -20.515 -4.209 1.00 0.00 C ATOM 730 OH TYR A 64 3.654 -21.182 -5.396 1.00 0.00 O ATOM 0 H TYR A 64 4.340 -16.584 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 64 3.682 -18.145 1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.916 -18.980 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.284 -17.445 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.725 -18.014 -2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.259 -20.471 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.128 -19.217 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.674 -21.662 -3.719 1.00 0.00 H new ATOM 0 HH TYR A 64 2.965 -21.867 -5.524 1.00 0.00 H new